A0A077ZJU7_TRITR Loading...

EGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJU7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,230 aa.

						>A0A077ZJU7_TRITR|A0A077ZJU7
MCTSLSCNHGSCTQGRLDYNCTCEVGYTGHACNEEIDECLTEACENGGTCQDEVNGISCKCPEEWTGTRCEEEINECQEDQCDNNGTCIKRTGECECTHGYTGTFCEIIPKKQGSLESMNIRAMLLIGVGSTVVFIVLMAALCSAGQLASGEQAPCFQMIAEDSSIMPIWGPPTPPLSDGEDCFATVDDDAWGPYFRTPMGELPLCVVDVEQKDFFIAAGLPSPTSPVQEKQSSSGEAVASVLDGLREAADSKENIVSNVQLSAASIRSSMAGDTSVSSILEPLGTDRSVAAPLPKDLTDDCTVCYLADRLLAPSYGVRRCRKASLNWDYVSEYMLAQKKCAISPRQCLTRSESRRSVRGQPKADLSPLVSSSYPFIDSETEAGTSTTLCCLSLLRPCFGAQYGFPNAKVFGMLCLSSAKEERFSEERCVDSERLGPQMRQFALKYPQQDRPDVSKHIPKLSRLKENDEERYLTMLTCKRPQLRKPPTTNSGRYCQLVLSYMVDVGNGMDVVLPEYSTAIGQPIDSSGFFRSHGHFMRVKPTKLASRSAATTGGSRRELGSRGTLVPIMSSNHSYQSQVQVRPKPVFPHARMHVSAAWVRRHSASSENPISNSVVGCTTCLIQWAFSYDAYLWPSNFDPQHSTKAAEYFGCISYRWSSICSNLFLATFLTMPFPGWCTRQLCPWEIGGENSNIFGFTMPGNRECVTLIRTSKSRSANDNDFSNLARSCLANYINGRLLYWSKLWPFQLTTNENTLPGRLPKQSKILVGIWIENIQHGGSEAEMDINYITGEKFHCTYEISGLHGLVLILPKPYILSCDVFWLRNGLQDAKVIKSSDSSKKYCVYYDFSVSSLDMMFGGTHIKACPGKVNDNVLAWCVHEKGKFSAVKESSDTSYHCAENHVLPFCQHTDLTSCNDHKCAENSTCVEPNGISNGRSCNCSSGLDDLACYKAPKLNPCQSSPCGLFGHCKSLQNGNYHCECKDGRKLINTPCIEVNLECSVFAAFVCNDPTACVPFNNTFLCTCKYGLADRRCYRSTPCVSNPCGDGATCVDSGRDYACHCADGSVKRQRCTDVHPHCRENICLPDGECIGGDETYVCSCAEGVSHPKCYENIDDCHSNPCVNKGTCYDGINEYVCRCSPGYTGQSCEKDIDECESNPCLNNGTCINKLDAFECKCRAPYHPPICAEREQTACDVQPCRNGGTCKLIGSSDSYTCDCVDGFVGYSCEFSKYF
					

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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	66.5	Low	76	Confident	122 Å²	122	73.2 Å²	73.2	60%	0.601	43%	0.433	S	S	*	.				0	-54.3	0	-81.4	168.2	155.7	0	0	108.5	T3 S6 Q14 L17	M1-T3 PolarHBondContact O-N 3.07Å; M1-S6 PolarHBondContact O-OG 3.44Å; M1-S6 VanDerWaalsContact O-OG 3.13Å; M1-Q14 HydrophobicContact CB-CG 4.09Å; M1-L17 VanDerWaalsContact CE-O 3.31Å; M1-L17 WeakPolarHBondContact CE-O 3.23Å
2	C	72.3	Confident	76.9	Confident	41 Å²	41	70 Å²	70	28%	0.277	42%	0.416	S	S	.	.			trans	-58.2	119.9	156.8	-64.4	0	0	0	0	110.4	S6 C12 T13	C2-S6 WeakPolarHBondContact CA-OG 3.39Å; C2-C12 WeakPolarHBondContact CA-SG 3.45Å; C2-C12 HydrophobicContact CB-CB 3.72Å; C2-C12 WeakPolarHBondContact CB-SG 3.33Å; C2-C12 WeakPolarHBondContact SG-CB 3.49Å; C2-C12 PolarHBondContact SG-O 3.15Å; C2-C12 CovalentContact SG-SG 2.04Å; C2-C12 PolarHBondContact SG-SG 3.49Å; C2-T13 VanDerWaalsContact SG-C 3.54Å
3	T	69.3	Low	77.4	Confident	96 Å²	96	69.7 Å²	69.7	59%	0.589	42%	0.415	S	S	*	.			trans	-122.9	174.1	163.8	60.5	0	0	0	0	107.8	M1 L5 S6	M1-T3 PolarHBondContact O-N 3.07Å; T3-L5 PolarHBondContact O-N 2.63Å; T3-S6 PolarHBondContact N-OG 3.32Å; T3-S6 PolarHBondContact O-N 3Å; T3-S6 VanDerWaalsContact O-N 3.12Å; T3-S6 PolarHBondContact O-OG 3.3Å; T3-S6 PolarHBondContact OG1-OG 3.42Å
4	S	61.4	Low	77.4	Confident	119 Å²	119	73.8 Å²	73.8	83%	0.832	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	12.8	-179	57.3	0	0	0	0	115.2
5	L	67.3	Low	76.8	Confident	135 Å²	135	71.2 Å²	71.2	71%	0.707	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	15.4	172.8	-68.9	93.4	0	0	0	112	T3	T3-L5 PolarHBondContact O-N 2.63Å
6	S	76.5	Confident	76.4	Confident	10 Å²	10	82.3 Å²	82.3	7%	0.07	46%	0.456	C	S	.	.	S	Bend	trans	-76.1	-27.3	179.6	-63	0	0	0	0	113.5	M1 C2 T3 Y19 C21	M1-S6 PolarHBondContact O-OG 3.44Å; M1-S6 VanDerWaalsContact O-OG 3.13Å; C2-S6 WeakPolarHBondContact CA-OG 3.39Å; T3-S6 PolarHBondContact N-OG 3.32Å; T3-S6 PolarHBondContact O-N 3Å; T3-S6 VanDerWaalsContact O-N 3.12Å; T3-S6 PolarHBondContact O-OG 3.3Å; T3-S6 PolarHBondContact OG1-OG 3.42Å; S6-Y19 WeakPolarHBondContact O-CE2 3.22Å; S6-C21 PolarHBondContact O-SG 2.57Å
7	C	84.9	Confident	75.9	Confident	17 Å²	17	86.7 Å²	86.7	12%	0.115	48%	0.477	C	S	.	.			trans	-138.6	131.7	176	-46.4	0	0	0	0	106.8	G10 C12 C21 A31	C7-G10 WeakPolarHBondContact CB-O 3.45Å; C7-C12 WeakPolarHBondContact SG-CA 3.26Å; C7-C12 WeakPolarHBondContact SG-CB 3.43Å; C7-C21 HydrophobicContact CB-CB 3.81Å; C7-C21 WeakPolarHBondContact CB-SG 2.97Å; C7-C21 VanDerWaalsContact SG-CA 3.54Å; C7-C21 WeakPolarHBondContact SG-CB 3.44Å; C7-C21 CovalentContact SG-SG 2.02Å; C7-C21 PolarHBondContact SG-SG 3.11Å; C7-A31 CarbonylContact C-O 3.45Å; C7-A31 VanDerWaalsContact CA-O 3.28Å; C7-A31 WeakPolarHBondContact CA-O 3.3Å
8	N	84.1	Confident	75.8	Confident	103 Å²	103	86.5 Å²	86.5	55%	0.551	48%	0.476	S	S	*	.	S	Bend	trans	-83.4	-54.2	178.7	-68.6	-19.3	0	0	0	110.7	A31 C32	N8-A31 PolarHBondContact N-O 2.03Å; N8-C32 WeakPolarHBondContact CB-O 3.11Å
9	H	83.1	Confident	76	Confident	70 Å²	70	85.2 Å²	85.2	32%	0.324	46%	0.463	S	S	.	.	S	Bend	trans	-118	64.9	179.3	-60.1	-87.1	0	0	0	110.5	C23 E24 Y27 C32	H9-C23 WeakPolarHBondContact O-CA 3.07Å; H9-E24 PolarHBondContact O-N 3.27Å; H9-Y27 HydrophobicContact CB-CD1 3.78Å; H9-Y27 HydrophobicContact CB-CD2 3.36Å; H9-Y27 HydrophobicContact CB-CE1 4.05Å; H9-Y27 HydrophobicContact CB-CE2 3.66Å; H9-Y27 HydrophobicContact CB-CG 3.41Å; H9-Y27 VanDerWaalsContact CB-CG 3.41Å; H9-Y27 AromaticContact CD2-CD1 3.75Å; H9-Y27 AromaticContact CD2-CE1 3.42Å; H9-Y27 VanDerWaalsContact CD2-CE1 3.42Å; H9-Y27 WeakPolarHBondContact CD2-CE1 3.3Å; H9-Y27 AromaticContact CD2-CZ 3.73Å; H9-Y27 AromaticContact CE1-CZ 3.69Å; H9-Y27 PolarHBondContact CE1-OH 3.43Å; H9-Y27 AromaticContact CG-CD1 3.76Å; H9-Y27 AromaticContact CG-CD2 3.79Å; H9-Y27 AromaticContact CG-CE1 3.53Å; H9-Y27 AromaticContact CG-CE2 3.56Å; H9-Y27 AromaticContact CG-CG 3.88Å; H9-Y27 AromaticContact CG-CZ 3.43Å; H9-Y27 VanDerWaalsContact CG-CZ 3.43Å; H9-Y27 AromaticContact ND1-CE1 3.96Å; H9-Y27 AromaticContact ND1-CE2 3.57Å; H9-Y27 AromaticContact ND1-CZ 3.41Å; H9-Y27 AromaticContact NE2-CE1 3.84Å; H9-Y27 AromaticContact NE2-CZ 3.93Å; H9-C32 HydrophobicContact CB-CB 4.5Å; H9-C32 PolarHBondContact N-O 3.12Å; H9-C32 WeakPolarHBondContact O-CB 3.35Å
10	G	84.4	Confident	76.4	Confident	15 Å²	15	84.9 Å²	84.9	16%	0.155	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	161.7	-177.1	0	0	0	0	0	115.3	C7 T22	C7-G10 WeakPolarHBondContact CB-O 3.45Å; G10-T22 CarbonylContact C-O 3.59Å; G10-T22 WeakPolarHBondContact CA-O 3.04Å
11	S	86.6	Confident	76.9	Confident	77 Å²	77	81.5 Å²	81.5	54%	0.538	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.3	179	-158.5	0	0	0	0	111.7	C21 T22	S11-C21 WeakPolarHBondContact O-CA 3.44Å; S11-T22 PolarHBondContact N-O 2.99Å; S11-T22 PolarHBondContact O-N 2.98Å; S11-T22 PolarHBondContact O-OG1 3.05Å
12	C	86.9	Confident	77.9	Confident	35 Å²	35	79.4 Å²	79.4	24%	0.236	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.3	178.2	-169	0	0	0	0	112	C2 C7	C2-C12 WeakPolarHBondContact CA-SG 3.45Å; C2-C12 HydrophobicContact CB-CB 3.72Å; C2-C12 WeakPolarHBondContact CB-SG 3.33Å; C2-C12 WeakPolarHBondContact SG-CB 3.49Å; C2-C12 PolarHBondContact SG-O 3.15Å; C2-C12 CovalentContact SG-SG 2.04Å; C2-C12 PolarHBondContact SG-SG 3.49Å; C7-C12 WeakPolarHBondContact SG-CA 3.26Å; C7-C12 WeakPolarHBondContact SG-CB 3.43Å
13	T	83.4	Confident	78.7	Confident	66 Å²	66	79.7 Å²	79.7	41%	0.405	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.5	168.7	64.2	0	0	0	0	110.3	C2 G15 N20	C2-T13 VanDerWaalsContact SG-C 3.54Å; T13-G15 PolarHBondContact O-N 3.4Å; T13-N20 PolarHBondContact N-O 3.03Å; T13-N20 PolarHBondContact O-N 3.23Å; T13-N20 PolarHBondContact OG1-O 3.43Å
14	Q	77.2	Confident	79.6	Confident	127 Å²	127	80.4 Å²	80.4	59%	0.593	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	110.4	-178	-173.9	155.9	-59.4	0	0	111	M1	M1-Q14 HydrophobicContact CB-CG 4.09Å
15	G	68.8	Low	80.7	Confident	35 Å²	35	80.2 Å²	80.2	36%	0.361	43%	0.43	S	S	.	.			trans	-75.3	-176.4	173.6	0	0	0	0	0	113.2	T13 D18	T13-G15 PolarHBondContact O-N 3.4Å; G15-D18 CarbonylContact C-O 3.38Å; G15-D18 WeakPolarHBondContact CA-O 3.39Å; G15-D18 PolarHBondContact N-O 3.01Å
16	R	69.6	Low	81.4	Confident	249 Å²	249	73.9 Å²	73.9	94%	0.94	40%	0.397	S	S	*	.	S	Bend	trans	-78.8	-25.1	-172.2	-170.2	171.7	-178.7	168	0.8	114.3
17	L	68.3	Low	82.1	Confident	157 Å²	157	75 Å²	75	82%	0.822	40%	0.4	S	S	*	.	S	Bend	trans	-141.1	4.9	177.3	-70.9	175.1	0	0	0	112	M1	M1-L17 VanDerWaalsContact CE-O 3.31Å; M1-L17 WeakPolarHBondContact CE-O 3.23Å
18	D	73.5	Confident	82.2	Confident	83 Å²	83	77.5 Å²	77.5	44%	0.444	42%	0.415	S	S	.	.	S	Bend	trans	-156.1	177.4	-166.1	-154.6	-5.5	0	0	0	110.1	G15 H30	G15-D18 CarbonylContact C-O 3.38Å; G15-D18 WeakPolarHBondContact CA-O 3.39Å; G15-D18 PolarHBondContact N-O 3.01Å; D18-H30 IonicContact OD2-NE2 3.08Å
19	Y	80.4	Confident	82.3	Confident	62 Å²	62	73.6 Å²	73.6	24%	0.243	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	162.7	164.4	65.2	-75	0	0	0	110.6	S6 H30	S6-Y19 WeakPolarHBondContact O-CE2 3.22Å; Y19-H30 AromaticContact CZ-CD2 3.99Å; Y19-H30 PolarHBondContact O-NE2 3.34Å
20	N	82.8	Confident	82.3	Confident	79 Å²	79	75.3 Å²	75.3	42%	0.422	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	114.6	175	178.6	82.3	0	0	0	109.1	T13	T13-N20 PolarHBondContact N-O 3.03Å; T13-N20 PolarHBondContact O-N 3.23Å; T13-N20 PolarHBondContact OG1-O 3.43Å
21	C	87.4	Confident	82.4	Confident	14 Å²	14	75.6 Å²	75.6	10%	0.095	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.1	176.8	-58.5	0	0	0	0	110.8	S6 C7 S11 H30 C32	S6-C21 PolarHBondContact O-SG 2.57Å; C7-C21 HydrophobicContact CB-CB 3.81Å; C7-C21 WeakPolarHBondContact CB-SG 2.97Å; C7-C21 VanDerWaalsContact SG-CA 3.54Å; C7-C21 WeakPolarHBondContact SG-CB 3.44Å; C7-C21 CovalentContact SG-SG 2.02Å; C7-C21 PolarHBondContact SG-SG 3.11Å; S11-C21 WeakPolarHBondContact O-CA 3.44Å; C21-H30 PolarHBondContact SG-O 3.2Å; C21-C32 WeakPolarHBondContact CB-SG 3.08Å
22	T	88.6	Confident	82.5	Confident	77 Å²	77	71.9 Å²	71.9	47%	0.472	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.8	161.4	57.4	0	0	0	0	107.3	G10 S11	G10-T22 CarbonylContact C-O 3.59Å; G10-T22 WeakPolarHBondContact CA-O 3.04Å; S11-T22 PolarHBondContact N-O 2.99Å; S11-T22 PolarHBondContact O-N 2.98Å; S11-T22 PolarHBondContact O-OG1 3.05Å
23	C	88.2	Confident	82.6	Confident	48 Å²	48	73.9 Å²	73.9	32%	0.324	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	149.4	-174.7	-52.8	0	0	0	0	112.3	H9 Y27 C32	H9-C23 WeakPolarHBondContact O-CA 3.07Å; C23-Y27 WeakPolarHBondContact CB-O 3.25Å; C23-C32 WeakPolarHBondContact CA-SG 3.09Å; C23-C32 HydrophobicContact CB-CB 3.7Å; C23-C32 WeakPolarHBondContact CB-SG 3.28Å; C23-C32 PolarHBondContact N-SG 2.76Å; C23-C32 VanDerWaalsContact N-SG 3.4Å; C23-C32 VanDerWaalsContact SG-CA 3.52Å; C23-C32 WeakPolarHBondContact SG-CB 3.04Å; C23-C32 CovalentContact SG-SG 2.04Å; C23-C32 PolarHBondContact SG-SG 3.14Å
24	E	88.2	Confident	82.7	Confident	110 Å²	110	75.7 Å²	75.7	51%	0.514	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-65.6	155.3	161.2	-72.6	159.1	-169.1	0	0	108.8	H9 Y27	H9-E24 PolarHBondContact O-N 3.27Å; E24-Y27 HydrophobicContact CB-CD2 4.45Å; E24-Y27 PolarHBondContact O-N 2.64Å
25	V	85	Confident	83.1	Confident	115 Å²	115	74.4 Å²	74.4	70%	0.697	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	143.8	-178.9	-141.4	0	0	0	0	108.7	N55	V25-N55 HydrophobicContact CB-CB 4.47Å; V25-N55 WeakPolarHBondContact CB-OD1 3.46Å; V25-N55 WeakPolarHBondContact CG1-OD1 3.31Å
26	G	81.8	Confident	83.8	Confident	2 Å²	2	75.8 Å²	75.8	2%	0.021	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	-4.6	-168.5	0	0	0	0	0	115.5	I36	G26-I36 PolarHBondContact O-N 2.04Å
27	Y	90.4	Very high	84.5	Confident	35 Å²	35	67.6 Å²	67.6	14%	0.137	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.4	-179.7	-65.4	-84.5	0	0	0	114.6	H9 C23 E24 E34 E35 V54	H9-Y27 HydrophobicContact CB-CD1 3.78Å; H9-Y27 HydrophobicContact CB-CD2 3.36Å; H9-Y27 HydrophobicContact CB-CE1 4.05Å; H9-Y27 HydrophobicContact CB-CE2 3.66Å; H9-Y27 HydrophobicContact CB-CG 3.41Å; H9-Y27 VanDerWaalsContact CB-CG 3.41Å; H9-Y27 AromaticContact CD2-CD1 3.75Å; H9-Y27 AromaticContact CD2-CE1 3.42Å; H9-Y27 VanDerWaalsContact CD2-CE1 3.42Å; H9-Y27 WeakPolarHBondContact CD2-CE1 3.3Å; H9-Y27 AromaticContact CD2-CZ 3.73Å; H9-Y27 AromaticContact CE1-CZ 3.69Å; H9-Y27 PolarHBondContact CE1-OH 3.43Å; H9-Y27 AromaticContact CG-CD1 3.76Å; H9-Y27 AromaticContact CG-CD2 3.79Å; H9-Y27 AromaticContact CG-CE1 3.53Å; H9-Y27 AromaticContact CG-CE2 3.56Å; H9-Y27 AromaticContact CG-CG 3.88Å; H9-Y27 AromaticContact CG-CZ 3.43Å; H9-Y27 VanDerWaalsContact CG-CZ 3.43Å; H9-Y27 AromaticContact ND1-CE1 3.96Å; H9-Y27 AromaticContact ND1-CE2 3.57Å; H9-Y27 AromaticContact ND1-CZ 3.41Å; H9-Y27 AromaticContact NE2-CE1 3.84Å; H9-Y27 AromaticContact NE2-CZ 3.93Å; C23-Y27 WeakPolarHBondContact CB-O 3.25Å; E24-Y27 HydrophobicContact CB-CD2 4.45Å; E24-Y27 PolarHBondContact O-N 2.64Å; Y27-E34 CarbonylContact C-O 3.15Å; Y27-E34 WeakPolarHBondContact CA-O 3.29Å; Y27-E35 HydrophobicContact CE1-CB 4.38Å; Y27-V54 HydrophobicContact CD2-CG1 4.45Å; Y27-V54 HydrophobicContact CE2-CG1 3.45Å; Y27-V54 VanDerWaalsContact CE2-CG1 3.45Å; Y27-V54 WeakPolarHBondContact OH-CG1 3.05Å; Y27-V54 WeakPolarHBondContact OH-CG2 3.41Å
28	T	87	Confident	85.2	Confident	69 Å²	69	62.5 Å²	62.5	42%	0.423	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	-173.8	179.3	-166.5	0	0	0	0	111.4	C32 N33 E34 I36	T28-C32 CarbonylContact O-C 3.36Å; T28-C32 VanDerWaalsContact O-CA 3.26Å; T28-C32 WeakPolarHBondContact O-CA 3.35Å; T28-N33 PolarHBondContact O-N 3.27Å; T28-E34 HydrophobicContact CG2-CB 3.64Å; T28-E34 PolarHBondContact N-O 3.41Å; T28-E34 PolarHBondContact O-N 2.81Å; T28-E34 VanDerWaalsContact O-N 3.12Å; T28-I36 HydrophobicContact CG2-CG1 3.89Å
29	G	86.4	Confident	85.8	Confident	20 Å²	20	60.1 Å²	60.1	21%	0.206	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	159.2	-173.6	0	0	0	0	0	112.9	A31 C32 E34	G29-A31 VanDerWaalsContact C-N 3.26Å; G29-A31 PolarHBondContact O-N 3.13Å; G29-C32 PolarHBondContact O-N 3.27Å; G29-E34 WeakPolarHBondContact CA-OE2 3.04Å
30	H	84.6	Confident	85.9	Confident	106 Å²	106	64 Å²	64	49%	0.491	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.8	-171.5	-178.9	55.1	0	0	0	114	D18 Y19 C21	D18-H30 IonicContact OD2-NE2 3.08Å; Y19-H30 AromaticContact CZ-CD2 3.99Å; Y19-H30 PolarHBondContact O-NE2 3.34Å; C21-H30 PolarHBondContact SG-O 3.2Å
31	A	85.4	Confident	85.3	Confident	21 Å²	21	65 Å²	65	17%	0.174	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	16.7	174	0	0	0	0	0	113.1	C7 N8 G29 N33	C7-A31 CarbonylContact C-O 3.45Å; C7-A31 VanDerWaalsContact CA-O 3.28Å; C7-A31 WeakPolarHBondContact CA-O 3.3Å; N8-A31 PolarHBondContact N-O 2.03Å; G29-A31 VanDerWaalsContact C-N 3.26Å; G29-A31 PolarHBondContact O-N 3.13Å; A31-N33 HydrophobicContact CB-CB 4.46Å; A31-N33 WeakPolarHBondContact CB-OD1 2.98Å; A31-N33 PolarHBondContact N-OD1 2.79Å; A31-N33 PolarHBondContact O-N 3.49Å
32	C	88.7	Confident	84.4	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	59.1	-177.8	-52.3	0	0	0	0	111.8	N8 H9 C21 C23 T28 G29	N8-C32 WeakPolarHBondContact CB-O 3.11Å; H9-C32 HydrophobicContact CB-CB 4.5Å; H9-C32 PolarHBondContact N-O 3.12Å; H9-C32 WeakPolarHBondContact O-CB 3.35Å; C21-C32 WeakPolarHBondContact CB-SG 3.08Å; C23-C32 WeakPolarHBondContact CA-SG 3.09Å; C23-C32 HydrophobicContact CB-CB 3.7Å; C23-C32 WeakPolarHBondContact CB-SG 3.28Å; C23-C32 PolarHBondContact N-SG 2.76Å; C23-C32 VanDerWaalsContact N-SG 3.4Å; C23-C32 VanDerWaalsContact SG-CA 3.52Å; C23-C32 WeakPolarHBondContact SG-CB 3.04Å; C23-C32 CovalentContact SG-SG 2.04Å; C23-C32 PolarHBondContact SG-SG 3.14Å; T28-C32 CarbonylContact O-C 3.36Å; T28-C32 VanDerWaalsContact O-CA 3.26Å; T28-C32 WeakPolarHBondContact O-CA 3.35Å; G29-C32 PolarHBondContact O-N 3.27Å
33	N	88.4	Confident	83.9	Confident	77 Å²	77	69.9 Å²	69.9	41%	0.412	37%	0.373	S	S	.	.			trans	-134.2	2.5	-164.9	67.4	-95.4	0	0	0	112.4	T28 A31	T28-N33 PolarHBondContact O-N 3.27Å; A31-N33 HydrophobicContact CB-CB 4.46Å; A31-N33 WeakPolarHBondContact CB-OD1 2.98Å; A31-N33 PolarHBondContact N-OD1 2.79Å; A31-N33 PolarHBondContact O-N 3.49Å
34	E	86.5	Confident	83.9	Confident	103 Å²	103	68.7 Å²	68.7	48%	0.481	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.8	173.5	-75.2	150.9	-151.7	0	0	105.6	Y27 T28 G29	Y27-E34 CarbonylContact C-O 3.15Å; Y27-E34 WeakPolarHBondContact CA-O 3.29Å; T28-E34 HydrophobicContact CG2-CB 3.64Å; T28-E34 PolarHBondContact N-O 3.41Å; T28-E34 PolarHBondContact O-N 2.81Å; T28-E34 VanDerWaalsContact O-N 3.12Å; G29-E34 WeakPolarHBondContact CA-OE2 3.04Å
35	E	84.4	Confident	83.9	Confident	101 Å²	101	67.5 Å²	67.5	47%	0.472	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144	169.9	-168.4	163.5	-154	0	0	108.3	Y27 D37 V54	Y27-E35 HydrophobicContact CE1-CB 4.38Å; E35-D37 PolarHBondContact O-N 3.09Å; E35-V54 WeakPolarHBondContact OE1-CG2 3.48Å
36	I	84.1	Confident	83.9	Confident	64 Å²	64	65.7 Å²	65.7	33%	0.328	35%	0.346	S	S	.	.			trans	-88.7	100.5	-179.7	-56.4	174.9	0	0	0	108.1	G26 T28 E38	G26-I36 PolarHBondContact O-N 2.04Å; T28-I36 HydrophobicContact CG2-CG1 3.89Å; I36-E38 HydrophobicContact CB-CG 4.48Å; I36-E38 HydrophobicContact CG2-CG 3.93Å; I36-E38 WeakPolarHBondContact O-CG 3.32Å; I36-E38 PolarHBondContact O-N 3.25Å
37	D	83.9	Confident	83.9	Confident	76 Å²	76	68.7 Å²	68.7	41%	0.406	38%	0.377	S	S	.	.			trans	-64.1	94.6	173.4	-176.3	-22.3	0	0	0	109.7	E35 C39 L40 D52	E35-D37 PolarHBondContact O-N 3.09Å; D37-C39 VanDerWaalsContact C-N 3.29Å; D37-C39 WeakPolarHBondContact OD1-CA 3.47Å; D37-C39 WeakPolarHBondContact OD1-CB 3.45Å; D37-C39 PolarHBondContact OD1-N 3.43Å; D37-L40 HydrophobicContact CB-CD1 3.93Å; D37-L40 HydrophobicContact CB-CG 3.99Å; D37-L40 PolarHBondContact O-N 2.94Å; D37-L40 PolarHBondContact OD1-N 3.28Å; D37-L40 VanDerWaalsContact OD1-N 3.13Å; D37-D52 WeakPolarHBondContact CA-OD1 3.44Å; D37-D52 WeakPolarHBondContact CA-OD2 3.37Å
38	E	83.5	Confident	83.8	Confident	50 Å²	50	67.7 Å²	67.7	23%	0.234	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-80.3	-20.1	-174.9	-80.7	149.2	-171.1	0	0	110.4	I36 L40 T41 D52 G56 I57	I36-E38 HydrophobicContact CB-CG 4.48Å; I36-E38 HydrophobicContact CG2-CG 3.93Å; I36-E38 WeakPolarHBondContact O-CG 3.32Å; I36-E38 PolarHBondContact O-N 3.25Å; E38-L40 PolarHBondContact O-N 3.34Å; E38-T41 PolarHBondContact O-N 2.04Å; E38-T41 PolarHBondContact O-OG1 2.71Å; E38-D52 PolarHBondContact N-OD1 3.18Å; E38-G56 PolarHBondContact OE2-N 3Å; E38-I57 HydrophobicContact CB-CG2 3.61Å
39	C	85.9	Confident	83.9	Confident	33 Å²	33	69 Å²	69	22%	0.223	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-68.9	-7.3	168.3	-68.6	0	0	0	0	114.9	D37 T41 C50 D52	D37-C39 VanDerWaalsContact C-N 3.29Å; D37-C39 WeakPolarHBondContact OD1-CA 3.47Å; D37-C39 WeakPolarHBondContact OD1-CB 3.45Å; D37-C39 PolarHBondContact OD1-N 3.43Å; C39-T41 PolarHBondContact O-N 3.34Å; C39-C50 WeakPolarHBondContact CA-SG 3.39Å; C39-C50 HydrophobicContact CB-CB 3.78Å; C39-C50 WeakPolarHBondContact CB-SG 3.35Å; C39-C50 WeakPolarHBondContact SG-CB 3.41Å; C39-C50 CovalentContact SG-SG 2.04Å; C39-C50 PolarHBondContact SG-SG 2.76Å; C39-D52 PolarHBondContact SG-N 3.14Å
40	L	82.2	Confident	84	Confident	144 Å²	144	69.9 Å²	69.9	75%	0.754	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-72.2	-8.3	168.2	-69.5	175.6	0	0	0	113.9	D37 E38	D37-L40 HydrophobicContact CB-CD1 3.93Å; D37-L40 HydrophobicContact CB-CG 3.99Å; D37-L40 PolarHBondContact O-N 2.94Å; D37-L40 PolarHBondContact OD1-N 3.28Å; D37-L40 VanDerWaalsContact OD1-N 3.13Å; E38-L40 PolarHBondContact O-N 3.34Å
41	T	71.6	Confident	84.2	Confident	101 Å²	101	69 Å²	69	62%	0.62	38%	0.384	S	S	*	.	S	Bend	trans	-94.9	170.3	168.3	67.3	0	0	0	0	110.9	E38 C39 A43	E38-T41 PolarHBondContact O-N 2.04Å; E38-T41 PolarHBondContact O-OG1 2.71Å; C39-T41 PolarHBondContact O-N 3.34Å; T41-A43 PolarHBondContact O-N 2.76Å
42	E	67	Low	84	Confident	188 Å²	188	70.4 Å²	70.4	88%	0.879	39%	0.388	S	S	*	.	S	Bend	trans	-73.6	68.6	169.8	-67.9	-173.7	159.6	0	0	109.4	R69	E42-R69 PolarHBondContact O-NH2 2.86Å
43	A	79.4	Confident	83.7	Confident	4 Å²	4	74.8 Å²	74.8	3%	0.033	41%	0.409	C	S	.	.			trans	-74.8	-42.7	-166.4	0	0	0	0	0	112.9	T41 I57 R69	T41-A43 PolarHBondContact O-N 2.76Å; A43-I57 HydrophobicContact CB-CD1 3.7Å; A43-I57 HydrophobicContact CB-CG2 4.14Å; A43-R69 VanDerWaalsContact O-CZ 3.28Å; A43-R69 PolarHBondContact O-NE 3.11Å; A43-R69 PolarHBondContact O-NH2 3.38Å; A43-R69 VanDerWaalsContact O-NH2 3.15Å
44	C	88.1	Confident	83.3	Confident	23 Å²	23	74.9 Å²	74.9	16%	0.155	41%	0.412	C	S	.	.	S	Bend	trans	-105.6	135	173.7	-47.6	0	0	0	0	110.6	G48 C50 C59	C44-G48 WeakPolarHBondContact CB-O 3.47Å; C44-C50 WeakPolarHBondContact SG-CA 2.94Å; C44-C50 WeakPolarHBondContact SG-CB 3.26Å; C44-C59 VanDerWaalsContact CA-SG 3.53Å; C44-C59 HydrophobicContact CB-CB 3.86Å; C44-C59 WeakPolarHBondContact CB-SG 3.25Å; C44-C59 WeakPolarHBondContact SG-CA 3.27Å; C44-C59 WeakPolarHBondContact SG-CB 3.15Å; C44-C59 CovalentContact SG-SG 2.03Å; C44-C59 PolarHBondContact SG-SG 3.19Å
45	E	87.3	Confident	82.8	Confident	85 Å²	85	74.1 Å²	74.1	40%	0.397	41%	0.411	S	S	.	.			trans	-90.7	174.8	177.1	-57	-168.6	-163.5	0	0	110.6	G47 G48 R69	E45-G47 PolarHBondContact O-N 3.3Å; E45-G48 PolarHBondContact O-N 2.83Å; E45-R69 PolarHBondContact N-O 3.13Å; E45-R69 IonicContact OE1-CZ 3.24Å; E45-R69 IonicContact OE1-NH1 2.67Å; E45-R69 PolarHBondContact OE1-NH1 3.02Å; E45-R69 IonicContact OE1-NH2 3.82Å; E45-R69 PolarHBondContact OE1-NH2 3.38Å
46	N	84.9	Confident	82.5	Confident	78 Å²	78	70.4 Å²	70.4	42%	0.417	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	21.3	171.4	-56.4	-58.1	0	0	0	117.6	W65 C70	N46-W65 HydrophobicContact CB-CD2 3.5Å; N46-W65 VanDerWaalsContact CB-CD2 3.5Å; N46-W65 HydrophobicContact CB-CE3 3.83Å; N46-W65 HydrophobicContact CB-CG 3.88Å; N46-W65 HydrophobicContact CB-CH2 4.4Å; N46-W65 HydrophobicContact CB-CZ2 4.11Å; N46-W65 HydrophobicContact CB-CZ3 4.28Å; N46-W65 WeakPolarHBondContact ND2-CZ3 3.35Å; N46-C70 PolarHBondContact ND2-O 2.98Å
47	G	82.8	Confident	82.6	Confident	65 Å²	65	69.8 Å²	69.8	67%	0.67	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	11.5	179.5	0	0	0	0	0	114.9	E45	E45-G47 PolarHBondContact O-N 3.3Å
48	G	87.1	Confident	82.7	Confident	14 Å²	14	67.8 Å²	67.8	14%	0.144	39%	0.389	C	S	.	.			trans	-57.2	139.4	170.8	0	0	0	0	0	112.4	C44 E45 K60	C44-G48 WeakPolarHBondContact CB-O 3.47Å; E45-G48 PolarHBondContact O-N 2.83Å; G48-K60 CarbonylContact C-O 3.59Å; G48-K60 WeakPolarHBondContact CA-O 3.35Å
49	T	89.7	Confident	83	Confident	95 Å²	95	66.6 Å²	66.6	58%	0.583	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	113.4	175.9	-60.5	0	0	0	0	109.7	K60	T49-K60 PolarHBondContact N-O 3.03Å; T49-K60 PolarHBondContact O-N 3.13Å
50	C	89.1	Confident	83.2	Confident	40 Å²	40	70.6 Å²	70.6	27%	0.27	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.4	176.9	-159.8	0	0	0	0	111.6	C39 C44	C39-C50 WeakPolarHBondContact CA-SG 3.39Å; C39-C50 HydrophobicContact CB-CB 3.78Å; C39-C50 WeakPolarHBondContact CB-SG 3.35Å; C39-C50 WeakPolarHBondContact SG-CB 3.41Å; C39-C50 CovalentContact SG-SG 2.04Å; C39-C50 PolarHBondContact SG-SG 2.76Å; C44-C50 WeakPolarHBondContact SG-CA 2.94Å; C44-C50 WeakPolarHBondContact SG-CB 3.26Å
51	Q	87.8	Confident	83.6	Confident	88 Å²	88	65.9 Å²	65.9	41%	0.411	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.1	163.6	169.2	-179.3	-33.7	0	0	108	S58	Q51-S58 PolarHBondContact N-O 3.29Å; Q51-S58 WeakPolarHBondContact O-CA 3.31Å; Q51-S58 VanDerWaalsContact O-CB 3.27Å; Q51-S58 WeakPolarHBondContact O-CB 3.38Å; Q51-S58 PolarHBondContact O-N 2.82Å
52	D	82.3	Confident	84.2	Confident	50 Å²	50	63.6 Å²	63.6	27%	0.267	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.9	-177.7	-150.6	45.2	0	0	0	110.8	D37 E38 C39	D37-D52 WeakPolarHBondContact CA-OD1 3.44Å; D37-D52 WeakPolarHBondContact CA-OD2 3.37Å; E38-D52 PolarHBondContact N-OD1 3.18Å; C39-D52 PolarHBondContact SG-N 3.14Å
53	E	81.6	Confident	84.9	Confident	91 Å²	91	63.8 Å²	63.8	43%	0.425	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	154.4	173.8	-73.1	-174.5	-168.3	0	0	110.4	N55 G56 S58	E53-N55 PolarHBondContact O-N 2.66Å; E53-G56 PolarHBondContact N-O 3.07Å; E53-G56 PolarHBondContact O-N 2.77Å; E53-S58 WeakPolarHBondContact OE1-CB 3.48Å; E53-S58 PolarHBondContact OE1-OG 2.78Å
54	V	80	Confident	84.7	Confident	79 Å²	79	69.1 Å²	69.1	48%	0.479	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	105.5	178.7	179.3	0	0	0	0	109.8	Y27 E35	Y27-V54 HydrophobicContact CD2-CG1 4.45Å; Y27-V54 HydrophobicContact CE2-CG1 3.45Å; Y27-V54 VanDerWaalsContact CE2-CG1 3.45Å; Y27-V54 WeakPolarHBondContact OH-CG1 3.05Å; Y27-V54 WeakPolarHBondContact OH-CG2 3.41Å; E35-V54 WeakPolarHBondContact OE1-CG2 3.48Å
55	N	75.2	Confident	84.7	Confident	88 Å²	88	71.2 Å²	71.2	47%	0.471	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	47.5	-173.9	-176.6	78	0	0	0	112.6	V25 E53	V25-N55 HydrophobicContact CB-CB 4.47Å; V25-N55 WeakPolarHBondContact CB-OD1 3.46Å; V25-N55 WeakPolarHBondContact CG1-OD1 3.31Å; E53-N55 PolarHBondContact O-N 2.66Å
56	G	80.1	Confident	84.5	Confident	22 Å²	22	70 Å²	70	23%	0.227	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	167.5	178.5	0	0	0	0	0	114.5	E38 E53	E38-G56 PolarHBondContact OE2-N 3Å; E53-G56 PolarHBondContact N-O 3.07Å; E53-G56 PolarHBondContact O-N 2.77Å
57	I	85.2	Confident	84.3	Confident	52 Å²	52	67.3 Å²	67.3	27%	0.267	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.8	172.3	55.1	172.9	0	0	0	110	E38 A43 R69	E38-I57 HydrophobicContact CB-CG2 3.61Å; A43-I57 HydrophobicContact CB-CD1 3.7Å; A43-I57 HydrophobicContact CB-CG2 4.14Å; I57-R69 HydrophobicContact CD1-CG 4.01Å
58	S	86.1	Confident	84.4	Confident	34 Å²	34	69.5 Å²	69.5	24%	0.238	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	90.6	-175.5	-152.8	0	0	0	0	108.9	Q51 E53	Q51-S58 PolarHBondContact N-O 3.29Å; Q51-S58 WeakPolarHBondContact O-CA 3.31Å; Q51-S58 VanDerWaalsContact O-CB 3.27Å; Q51-S58 WeakPolarHBondContact O-CB 3.38Å; Q51-S58 PolarHBondContact O-N 2.82Å; E53-S58 WeakPolarHBondContact OE1-CB 3.48Å; E53-S58 PolarHBondContact OE1-OG 2.78Å
59	C	89.4	Confident	84.4	Confident	24 Å²	24	72.3 Å²	72.3	16%	0.162	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116	-174.3	-70.5	0	0	0	0	112	C44 C61 T68	C44-C59 VanDerWaalsContact CA-SG 3.53Å; C44-C59 HydrophobicContact CB-CB 3.86Å; C44-C59 WeakPolarHBondContact CB-SG 3.25Å; C44-C59 WeakPolarHBondContact SG-CA 3.27Å; C44-C59 WeakPolarHBondContact SG-CB 3.15Å; C44-C59 CovalentContact SG-SG 2.03Å; C44-C59 PolarHBondContact SG-SG 3.19Å; C59-C61 PolarHBondContact O-N 3.03Å; C59-T68 WeakPolarHBondContact CB-O 3.36Å
60	K	90.8	Very high	84.4	Confident	117 Å²	117	67.8 Å²	67.8	51%	0.509	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	102.8	173.1	-67.3	172	-170.6	165.5	0	109.7	G48 T49	G48-K60 CarbonylContact C-O 3.59Å; G48-K60 WeakPolarHBondContact CA-O 3.35Å; T49-K60 PolarHBondContact N-O 3.03Å; T49-K60 PolarHBondContact O-N 3.13Å
61	C	89.4	Confident	84.3	Confident	46 Å²	46	69.3 Å²	69.3	31%	0.311	37%	0.366	S	S	.	.			trans	-80	149.3	-173.7	-51.8	0	0	0	0	113.1	C59 W65 C70	C59-C61 PolarHBondContact O-N 3.03Å; C61-W65 HydrophobicContact CB-CB 4.29Å; C61-W65 WeakPolarHBondContact CB-O 3.4Å; C61-C70 WeakPolarHBondContact CA-SG 3.43Å; C61-C70 HydrophobicContact CB-CB 3.79Å; C61-C70 WeakPolarHBondContact CB-SG 3.39Å; C61-C70 WeakPolarHBondContact SG-CA 3.34Å; C61-C70 WeakPolarHBondContact SG-CB 3.46Å; C61-C70 CovalentContact SG-SG 2.04Å; C61-C70 PolarHBondContact SG-SG 2.77Å
62	P	84.8	Confident	84.1	Confident	52 Å²	52	70.5 Å²	70.5	34%	0.338	37%	0.371	S	S	.	.			trans	-70.9	163.4	167.6	29.9	-33.2	0	0	0	111.6	E64 W65	P62-E64 PolarHBondContact O-N 3.4Å; P62-W65 HydrophobicContact CG-CB 4.38Å; P62-W65 HydrophobicContact CG-CG 4.42Å; P62-W65 PolarHBondContact O-N 3.47Å
63	E	82	Confident	83.7	Confident	192 Å²	192	75.4 Å²	75.4	90%	0.897	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.6	-167.2	-62.1	179.2	145.9	0	0	116.8
64	E	76	Confident	83.2	Confident	116 Å²	116	73.8 Å²	73.8	54%	0.542	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	2.4	178.7	-62.4	179.4	173.7	0	0	113.1	P62 I74	P62-E64 PolarHBondContact O-N 3.4Å; E64-I74 PolarHBondContact O-N 3.4Å
65	W	86.9	Confident	82.5	Confident	68 Å²	68	72.5 Å²	72.5	26%	0.258	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.8	-171.1	-64.2	82.8	0	0	0	114.5	N46 C61 P62 C70 E72 E73 I74	N46-W65 HydrophobicContact CB-CD2 3.5Å; N46-W65 VanDerWaalsContact CB-CD2 3.5Å; N46-W65 HydrophobicContact CB-CE3 3.83Å; N46-W65 HydrophobicContact CB-CG 3.88Å; N46-W65 HydrophobicContact CB-CH2 4.4Å; N46-W65 HydrophobicContact CB-CZ2 4.11Å; N46-W65 HydrophobicContact CB-CZ3 4.28Å; N46-W65 WeakPolarHBondContact ND2-CZ3 3.35Å; C61-W65 HydrophobicContact CB-CB 4.29Å; C61-W65 WeakPolarHBondContact CB-O 3.4Å; P62-W65 HydrophobicContact CG-CB 4.38Å; P62-W65 HydrophobicContact CG-CG 4.42Å; P62-W65 PolarHBondContact O-N 3.47Å; W65-C70 HydrophobicContact CB-CB 4.29Å; W65-E72 CarbonylContact C-O 3.58Å; W65-E72 WeakPolarHBondContact CA-O 3.28Å; W65-E73 HydrophobicContact CH2-CB 4.35Å; W65-E73 HydrophobicContact CZ3-CB 4.15Å; W65-I74 WeakPolarHBondContact O-CD1 3.36Å
66	T	82.6	Confident	82	Confident	59 Å²	59	71.2 Å²	71.2	36%	0.362	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	-172.6	179.2	-168.9	0	0	0	0	110.6	C70 E71 E72 I74	T66-C70 CarbonylContact O-C 3.51Å; T66-C70 VanDerWaalsContact O-C 3.29Å; T66-C70 WeakPolarHBondContact O-CA 3.26Å; T66-E71 PolarHBondContact O-N 3.32Å; T66-E72 HydrophobicContact CG2-CB 3.82Å; T66-E72 PolarHBondContact N-O 2.92Å; T66-E72 PolarHBondContact O-N 2.75Å; T66-I74 HydrophobicContact CG2-CG1 3.76Å
67	G	82.3	Confident	81.6	Confident	22 Å²	22	71.5 Å²	71.5	23%	0.227	37%	0.366	C	S	.	.	S	Bend	trans	88	162.6	-171.5	0	0	0	0	0	112.7	R69 C70 E71	G67-R69 PolarHBondContact O-N 3.26Å; G67-R69 VanDerWaalsContact O-N 3.09Å; G67-C70 PolarHBondContact O-N 3.26Å; G67-C70 VanDerWaalsContact O-N 3.14Å; G67-E71 VanDerWaalsContact CA-OE2 3.23Å; G67-E71 WeakPolarHBondContact CA-OE2 3.44Å
68	T	83.7	Confident	80.3	Confident	111 Å²	111	75 Å²	75	68%	0.681	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.2	-171.7	57.2	0	0	0	0	114.8	C59 E71	C59-T68 WeakPolarHBondContact CB-O 3.36Å; T68-E71 PolarHBondContact N-OE2 2.93Å; T68-E71 PolarHBondContact OG1-OE1 2.79Å; T68-E71 VanDerWaalsContact OG1-OE1 3.12Å
69	R	87.2	Confident	79	Confident	73 Å²	73	82.3 Å²	82.3	28%	0.275	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	16.8	-179.4	-61.2	-178.6	60.6	-111.5	-7.7	111.6	E42 A43 E45 I57 G67 E71	E42-R69 PolarHBondContact O-NH2 2.86Å; A43-R69 VanDerWaalsContact O-CZ 3.28Å; A43-R69 PolarHBondContact O-NE 3.11Å; A43-R69 PolarHBondContact O-NH2 3.38Å; A43-R69 VanDerWaalsContact O-NH2 3.15Å; E45-R69 PolarHBondContact N-O 3.13Å; E45-R69 IonicContact OE1-CZ 3.24Å; E45-R69 IonicContact OE1-NH1 2.67Å; E45-R69 PolarHBondContact OE1-NH1 3.02Å; E45-R69 IonicContact OE1-NH2 3.82Å; E45-R69 PolarHBondContact OE1-NH2 3.38Å; I57-R69 HydrophobicContact CD1-CG 4.01Å; G67-R69 PolarHBondContact O-N 3.26Å; G67-R69 VanDerWaalsContact O-N 3.09Å; R69-E71 WeakPolarHBondContact CA-OE2 3.04Å; R69-E71 PolarHBondContact N-OE1 3.03Å; R69-E71 PolarHBondContact N-OE2 3.05Å; R69-E71 PolarHBondContact O-N 3.25Å
70	C	89.7	Confident	77.6	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	44%	0.443	C	S	.	.	S	Bend	trans	58.4	33	-172.3	-45.5	0	0	0	0	113.1	N46 C61 W65 T66 G67	N46-C70 PolarHBondContact ND2-O 2.98Å; C61-C70 WeakPolarHBondContact CA-SG 3.43Å; C61-C70 HydrophobicContact CB-CB 3.79Å; C61-C70 WeakPolarHBondContact CB-SG 3.39Å; C61-C70 WeakPolarHBondContact SG-CA 3.34Å; C61-C70 WeakPolarHBondContact SG-CB 3.46Å; C61-C70 CovalentContact SG-SG 2.04Å; C61-C70 PolarHBondContact SG-SG 2.77Å; W65-C70 HydrophobicContact CB-CB 4.29Å; T66-C70 CarbonylContact O-C 3.51Å; T66-C70 VanDerWaalsContact O-C 3.29Å; T66-C70 WeakPolarHBondContact O-CA 3.26Å; G67-C70 PolarHBondContact O-N 3.26Å; G67-C70 VanDerWaalsContact O-N 3.14Å
71	E	88.1	Confident	76.9	Confident	72 Å²	72	87.2 Å²	87.2	34%	0.336	44%	0.439	S	S	.	.			trans	-87.2	-14	-175.8	69.9	-83.5	-123.4	0	0	113.6	T66 G67 T68 R69	T66-E71 PolarHBondContact O-N 3.32Å; G67-E71 VanDerWaalsContact CA-OE2 3.23Å; G67-E71 WeakPolarHBondContact CA-OE2 3.44Å; T68-E71 PolarHBondContact N-OE2 2.93Å; T68-E71 PolarHBondContact OG1-OE1 2.79Å; T68-E71 VanDerWaalsContact OG1-OE1 3.12Å; R69-E71 WeakPolarHBondContact CA-OE2 3.04Å; R69-E71 PolarHBondContact N-OE1 3.03Å; R69-E71 PolarHBondContact N-OE2 3.05Å; R69-E71 PolarHBondContact O-N 3.25Å
72	E	83	Confident	76.4	Confident	113 Å²	113	85.9 Å²	85.9	53%	0.528	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.9	-177.3	-53.6	-170.4	139.9	0	0	111.3	W65 T66	W65-E72 CarbonylContact C-O 3.58Å; W65-E72 WeakPolarHBondContact CA-O 3.28Å; T66-E72 HydrophobicContact CG2-CB 3.82Å; T66-E72 PolarHBondContact N-O 2.92Å; T66-E72 PolarHBondContact O-N 2.75Å
73	E	74.8	Confident	76.3	Confident	152 Å²	152	87.6 Å²	87.6	71%	0.71	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	128.3	172.6	-175.6	177	-163	0	0	108.9	W65 N75	W65-E73 HydrophobicContact CH2-CB 4.35Å; W65-E73 HydrophobicContact CZ3-CB 4.15Å; E73-N75 PolarHBondContact O-N 2.78Å
74	I	70.4	Confident	76.1	Confident	58 Å²	58	81.4 Å²	81.4	30%	0.297	41%	0.409	S	S	.	.			trans	-69.7	99.5	176.3	-64.1	173.1	0	0	0	108.3	E64 W65 T66 E76	E64-I74 PolarHBondContact O-N 3.4Å; W65-I74 WeakPolarHBondContact O-CD1 3.36Å; T66-I74 HydrophobicContact CG2-CG1 3.76Å; I74-E76 HydrophobicContact CG2-CG 4.29Å; I74-E76 PolarHBondContact O-N 2.9Å
75	N	64.4	Low	76	Confident	51 Å²	51	80.3 Å²	80.3	27%	0.273	41%	0.407	S	S	.	.			trans	-75.6	102.4	164.9	168.9	74.2	0	0	0	107.6	E73 C77 Q78 K90	E73-N75 PolarHBondContact O-N 2.78Å; N75-C77 PolarHBondContact ND2-O 3.45Å; N75-C77 PolarHBondContact O-N 2.84Å; N75-Q78 HydrophobicContact CB-CG 4.27Å; N75-Q78 WeakPolarHBondContact ND2-CG 3.25Å; N75-Q78 PolarHBondContact ND2-N 2.93Å; N75-Q78 PolarHBondContact O-N 3.32Å; N75-K90 PolarHBondContact OD1-NZ 3.49Å
76	E	65.2	Low	75.6	Confident	62 Å²	62	77.6 Å²	77.6	29%	0.29	40%	0.4	S	S	.	.	S	Bend	trans	-69.6	16	-176	-34.5	88.3	159	0	0	113.7	I74 C88 R91 G93	I74-E76 HydrophobicContact CG2-CG 4.29Å; I74-E76 PolarHBondContact O-N 2.9Å; E76-C88 PolarHBondContact O-SG 3.28Å; E76-C88 VanDerWaalsContact O-SG 3.35Å; E76-R91 WeakPolarHBondContact OE1-CA 3.43Å; E76-R91 PolarHBondContact OE1-N 3.13Å; E76-R91 PolarHBondContact OE2-N 3.4Å; E76-G93 VanDerWaalsContact O-CA 3.31Å; E76-G93 WeakPolarHBondContact O-CA 3.11Å
77	C	71.2	Confident	75.6	Confident	27 Å²	27	79 Å²	79	18%	0.182	41%	0.409	C	S	.	.			trans	-138.5	49.1	-178.8	-59.1	0	0	0	0	109	N75 C88	N75-C77 PolarHBondContact ND2-O 3.45Å; N75-C77 PolarHBondContact O-N 2.84Å; C77-C88 WeakPolarHBondContact CA-SG 3.08Å; C77-C88 HydrophobicContact CB-CB 3.65Å; C77-C88 WeakPolarHBondContact CB-SG 3.3Å; C77-C88 WeakPolarHBondContact SG-CB 3.12Å; C77-C88 CovalentContact SG-SG 2.03Å; C77-C88 PolarHBondContact SG-SG 3.42Å
78	Q	59.4	Low	75.5	Confident	126 Å²	126	79.3 Å²	79.3	59%	0.589	41%	0.407	S	S	*	.			trans	-85.6	130.6	171.6	-82.4	-178.8	-31.4	0	0	109.5	N75	N75-Q78 HydrophobicContact CB-CG 4.27Å; N75-Q78 WeakPolarHBondContact ND2-CG 3.25Å; N75-Q78 PolarHBondContact ND2-N 2.93Å; N75-Q78 PolarHBondContact O-N 3.32Å
79	E	58.2	Low	75.1	Confident	187 Å²	187	77.4 Å²	77.4	87%	0.874	39%	0.392	S	S	*	.	S	Bend	trans	50.1	86.2	171.7	-55.8	-162.9	147.4	0	0	116.5	Q81	E79-Q81 PolarHBondContact O-N 2.99Å
80	D	60.5	Low	73.8	Confident	153 Å²	153	80.3 Å²	80.3	82%	0.818	41%	0.407	S	S	*	.			trans	43.6	32.8	162.5	-65.2	-4.4	0	0	0	116.6	C82	D80-C82 PolarHBondContact O-N 3.31Å
81	Q	75.1	Confident	72.5	Confident	91 Å²	91	90.9 Å²	90.9	43%	0.425	45%	0.447	S	S	.	.			trans	-64.6	4.1	-178.2	-156.6	178.9	-0.7	0	0	114.9	E79 F105	E79-Q81 PolarHBondContact O-N 2.99Å; Q81-F105 HydrophobicContact CG-CD1 4.05Å; Q81-F105 HydrophobicContact CG-CE1 4.05Å; Q81-F105 WeakPolarHBondContact O-CB 3.3Å; Q81-F105 WeakPolarHBondContact O-CD1 3.16Å
82	C	79.9	Confident	71.6	Confident	19 Å²	19	90 Å²	90	13%	0.128	45%	0.446	C	S	.	.	S	Bend	trans	-125.8	111.7	175.6	-55.8	0	0	0	0	109.6	D80 G86 C88 C95 F105	D80-C82 PolarHBondContact O-N 3.31Å; C82-G86 WeakPolarHBondContact CB-O 3.44Å; C82-C88 VanDerWaalsContact SG-CB 3.54Å; C82-C95 VanDerWaalsContact CA-SG 3.52Å; C82-C95 HydrophobicContact CB-CB 3.76Å; C82-C95 WeakPolarHBondContact CB-SG 3.32Å; C82-C95 WeakPolarHBondContact SG-CB 3.26Å; C82-C95 CovalentContact SG-SG 2.03Å; C82-C95 PolarHBondContact SG-SG 3.12Å; C82-F105 CarbonylContact C-O 3.52Å; C82-F105 WeakPolarHBondContact CA-O 3.43Å
83	D	81	Confident	70.9	Confident	88 Å²	88	85.3 Å²	85.3	47%	0.471	43%	0.429	S	S	.	.	S	Bend	trans	-61.9	166.2	170.2	-78.7	-41.1	0	0	0	111.7	N85 G86 F105 C106 E107	D83-N85 PolarHBondContact O-N 2.83Å; D83-N85 VanDerWaalsContact O-N 3.08Å; D83-G86 PolarHBondContact O-N 2.81Å; D83-F105 WeakPolarHBondContact CB-O 3.31Å; D83-F105 PolarHBondContact N-O 2.72Å; D83-C106 WeakPolarHBondContact O-CB 3.25Å; D83-E107 WeakPolarHBondContact OD2-CB 3.2Å
84	N	78.2	Confident	71	Confident	62 Å²	62	83.1 Å²	83.1	33%	0.332	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	36.5	164.2	-58.4	-61.2	0	0	0	114.5	G86 T98 Y101 C106	N84-G86 PolarHBondContact O-N 2.8Å; N84-T98 WeakPolarHBondContact O-CG2 3.01Å; N84-T98 PolarHBondContact O-OG1 3.5Å; N84-Y101 HydrophobicContact CB-CD1 3.34Å; N84-Y101 HydrophobicContact CB-CD2 3.95Å; N84-Y101 HydrophobicContact CB-CE1 3.37Å; N84-Y101 HydrophobicContact CB-CE2 3.99Å; N84-Y101 HydrophobicContact CB-CG 3.61Å; N84-Y101 VanDerWaalsContact ND2-CD1 3.27Å; N84-Y101 WeakPolarHBondContact ND2-CD1 3.02Å; N84-Y101 VanDerWaalsContact ND2-CE1 3.34Å; N84-Y101 WeakPolarHBondContact ND2-CE1 2.94Å; N84-Y101 WeakPolarHBondContact OD1-CE1 3.17Å; N84-C106 PolarHBondContact ND2-O 2.77Å
85	N	73.5	Confident	71.6	Confident	92 Å²	92	80.9 Å²	80.9	49%	0.492	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	22.3	-176.1	-83.8	11.2	0	0	0	115.4	D83 T87 T98 E782	D83-N85 PolarHBondContact O-N 2.83Å; D83-N85 VanDerWaalsContact O-N 3.08Å; N85-T87 PolarHBondContact O-N 2.9Å; N85-T98 HydrophobicContact CB-CG2 3.86Å; N85-T98 WeakPolarHBondContact O-CG2 3.41Å; N85-E782 PolarHBondContact ND2-OE1 2.82Å; N85-E782 PolarHBondContact ND2-OE2 2.84Å
86	G	80.3	Confident	72.4	Confident	11 Å²	11	84.7 Å²	84.7	11%	0.113	42%	0.424	C	S	.	.			trans	-55.3	135.2	168.9	0	0	0	0	0	111.6	C82 D83 N84 E96	C82-G86 WeakPolarHBondContact CB-O 3.44Å; D83-G86 PolarHBondContact O-N 2.81Å; N84-G86 PolarHBondContact O-N 2.8Å; G86-E96 WeakPolarHBondContact CA-O 3.2Å
87	T	80.9	Confident	73.3	Confident	88 Å²	88	83.8 Å²	83.8	54%	0.54	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	107.6	-178.8	-65.8	0	0	0	0	110.2	N85 I89 E96	N85-T87 PolarHBondContact O-N 2.9Å; T87-I89 PolarHBondContact O-N 2.02Å; T87-E96 PolarHBondContact N-O 2.99Å; T87-E96 WeakPolarHBondContact O-CB 3.48Å; T87-E96 PolarHBondContact O-N 2.79Å
88	C	81.1	Confident	73.5	Confident	29 Å²	29	84.6 Å²	84.6	20%	0.196	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	120.7	176.9	-176.6	0	0	0	0	111.8	E76 C77 C82 K90	E76-C88 PolarHBondContact O-SG 3.28Å; E76-C88 VanDerWaalsContact O-SG 3.35Å; C77-C88 WeakPolarHBondContact CA-SG 3.08Å; C77-C88 HydrophobicContact CB-CB 3.65Å; C77-C88 WeakPolarHBondContact CB-SG 3.3Å; C77-C88 WeakPolarHBondContact SG-CB 3.12Å; C77-C88 CovalentContact SG-SG 2.03Å; C77-C88 PolarHBondContact SG-SG 3.42Å; C82-C88 VanDerWaalsContact SG-CB 3.54Å; C88-K90 PolarHBondContact O-N 3.33Å
89	I	74.9	Confident	74.3	Confident	71 Å²	71	88.4 Å²	88.4	36%	0.364	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	102.8	177.3	-58.6	171.9	0	0	0	108.6	T87 R91 T92 G93 E94 E96	T87-I89 PolarHBondContact O-N 2.02Å; I89-R91 PolarHBondContact O-N 2.91Å; I89-T92 WeakPolarHBondContact CB-OG1 3.12Å; I89-T92 PolarHBondContact O-N 3.27Å; I89-T92 PolarHBondContact O-OG1 2.87Å; I89-G93 PolarHBondContact O-N 3.37Å; I89-E94 WeakPolarHBondContact CB-O 3.35Å; I89-E94 WeakPolarHBondContact CG1-O 3.21Å; I89-E94 PolarHBondContact N-O 3.22Å; I89-E96 HydrophobicContact CD1-CB 4.18Å; I89-E96 HydrophobicContact CG1-CB 4.19Å
90	K	60.1	Low	75	Confident	135 Å²	135	81.6 Å²	81.6	59%	0.587	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	132.1	171.2	-59.7	-172.4	174	-111.1	0	109.8	N75 C88	N75-K90 PolarHBondContact OD1-NZ 3.49Å; C88-K90 PolarHBondContact O-N 3.33Å
91	R	62.3	Low	76	Confident	221 Å²	221	78 Å²	78	83%	0.834	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-3.6	-166.8	-54.3	169.4	163.9	-155.9	-10.7	118	E76 I89	E76-R91 WeakPolarHBondContact OE1-CA 3.43Å; E76-R91 PolarHBondContact OE1-N 3.13Å; E76-R91 PolarHBondContact OE2-N 3.4Å; I89-R91 PolarHBondContact O-N 2.91Å
92	T	68.4	Low	76.2	Confident	53 Å²	53	76.5 Å²	76.5	33%	0.325	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.9	-22	170.1	58.8	0	0	0	0	113.9	I89 E94 Y403	I89-T92 WeakPolarHBondContact CB-OG1 3.12Å; I89-T92 PolarHBondContact O-N 3.27Å; I89-T92 PolarHBondContact O-OG1 2.87Å; T92-E94 PolarHBondContact O-N 3.45Å; T92-E94 WeakPolarHBondContact OG1-CB 3.22Å; T92-E94 PolarHBondContact OG1-N 2.84Å; T92-Y403 HydrophobicContact CG2-CE1 4.49Å; T92-Y403 HydrophobicContact CG2-CE2 4.46Å
93	G	69.4	Low	76.1	Confident	16 Å²	16	77.1 Å²	77.1	17%	0.165	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	10.4	-170.8	0	0	0	0	0	113.2	E76 I89	E76-G93 VanDerWaalsContact O-CA 3.31Å; E76-G93 WeakPolarHBondContact O-CA 3.11Å; I89-G93 PolarHBondContact O-N 3.37Å
94	E	75.6	Confident	76	Confident	106 Å²	106	77.3 Å²	77.3	50%	0.495	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.4	-178.7	-169.6	174.3	-164.3	0	0	109	I89 T92	I89-E94 WeakPolarHBondContact CB-O 3.35Å; I89-E94 WeakPolarHBondContact CG1-O 3.21Å; I89-E94 PolarHBondContact N-O 3.22Å; T92-E94 PolarHBondContact O-N 3.45Å; T92-E94 WeakPolarHBondContact OG1-CB 3.22Å; T92-E94 PolarHBondContact OG1-N 2.84Å
95	C	83	Confident	76.2	Confident	11 Å²	11	78.6 Å²	78.6	7%	0.074	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117.9	-177.2	-62.1	0	0	0	0	111.7	C82 C97 C106	C82-C95 VanDerWaalsContact CA-SG 3.52Å; C82-C95 HydrophobicContact CB-CB 3.76Å; C82-C95 WeakPolarHBondContact CB-SG 3.32Å; C82-C95 WeakPolarHBondContact SG-CB 3.26Å; C82-C95 CovalentContact SG-SG 2.03Å; C82-C95 PolarHBondContact SG-SG 3.12Å; C95-C97 PolarHBondContact O-N 2.72Å; C95-C97 VanDerWaalsContact O-N 3.08Å; C95-C106 WeakPolarHBondContact CB-SG 3.35Å
96	E	82.9	Confident	76.7	Confident	131 Å²	131	74.2 Å²	74.2	61%	0.612	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	96.7	169.3	-172.3	169.7	-151.3	0	0	109.2	G86 T87 I89	G86-E96 WeakPolarHBondContact CA-O 3.2Å; T87-E96 PolarHBondContact N-O 2.99Å; T87-E96 WeakPolarHBondContact O-CB 3.48Å; T87-E96 PolarHBondContact O-N 2.79Å; I89-E96 HydrophobicContact CD1-CB 4.18Å; I89-E96 HydrophobicContact CG1-CB 4.19Å
97	C	82.7	Confident	76.9	Confident	42 Å²	42	77.3 Å²	77.3	28%	0.284	40%	0.403	S	S	.	.			trans	-70.4	142	-172.5	-56.4	0	0	0	0	114.1	C95 Y101 C106	C95-C97 PolarHBondContact O-N 2.72Å; C95-C97 VanDerWaalsContact O-N 3.08Å; C97-Y101 WeakPolarHBondContact CB-O 3.42Å; C97-C106 WeakPolarHBondContact CA-SG 2.99Å; C97-C106 HydrophobicContact CB-CB 3.82Å; C97-C106 WeakPolarHBondContact CB-SG 3.37Å; C97-C106 WeakPolarHBondContact SG-CA 3.49Å; C97-C106 WeakPolarHBondContact SG-CB 3.37Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.47Å
98	T	76.8	Confident	76.9	Confident	45 Å²	45	77.1 Å²	77.1	28%	0.276	40%	0.398	S	S	.	.			trans	-62.4	157.1	171.5	50	0	0	0	0	111.7	N84 N85 G100 Y101	N84-T98 WeakPolarHBondContact O-CG2 3.01Å; N84-T98 PolarHBondContact O-OG1 3.5Å; N85-T98 HydrophobicContact CB-CG2 3.86Å; N85-T98 WeakPolarHBondContact O-CG2 3.41Å; T98-G100 PolarHBondContact O-N 2.93Å; T98-Y101 PolarHBondContact O-N 3.07Å; T98-Y101 WeakPolarHBondContact OG1-CD2 3.4Å
99	H	76	Confident	76.4	Confident	206 Å²	206	81 Å²	81	95%	0.954	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	101.8	-175.4	-95.5	-72.8	0	0	0	112.1
100	G	72.4	Confident	75.6	Confident	43 Å²	43	80.5 Å²	80.5	44%	0.443	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.9	15.8	-176.2	0	0	0	0	0	114.3	T98 P110	T98-G100 PolarHBondContact O-N 2.93Å; G100-P110 WeakPolarHBondContact O-CD 3.42Å
101	Y	81.6	Confident	75.1	Confident	77 Å²	77	83.1 Å²	83.1	30%	0.302	43%	0.428	S	S	.	.			trans	-130.3	157	170.5	-65.2	-90	0	0	0	110.9	N84 C97 T98 I109	N84-Y101 HydrophobicContact CB-CD1 3.34Å; N84-Y101 HydrophobicContact CB-CD2 3.95Å; N84-Y101 HydrophobicContact CB-CE1 3.37Å; N84-Y101 HydrophobicContact CB-CE2 3.99Å; N84-Y101 HydrophobicContact CB-CG 3.61Å; N84-Y101 VanDerWaalsContact ND2-CD1 3.27Å; N84-Y101 WeakPolarHBondContact ND2-CD1 3.02Å; N84-Y101 VanDerWaalsContact ND2-CE1 3.34Å; N84-Y101 WeakPolarHBondContact ND2-CE1 2.94Å; N84-Y101 WeakPolarHBondContact OD1-CE1 3.17Å; C97-Y101 WeakPolarHBondContact CB-O 3.42Å; T98-Y101 PolarHBondContact O-N 3.07Å; T98-Y101 WeakPolarHBondContact OG1-CD2 3.4Å; Y101-I109 HydrophobicContact CD1-CG1 3.81Å; Y101-I109 HydrophobicContact CE1-CD1 4.16Å; Y101-I109 HydrophobicContact CE1-CG1 3.4Å
102	T	78.8	Confident	74	Confident	61 Å²	61	82.7 Å²	82.7	37%	0.374	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-152.9	174.9	-173.8	47.9	0	0	0	0	109.6	C106 E107 I108 P110	T102-C106 CarbonylContact O-C 3.58Å; T102-C106 VanDerWaalsContact O-C 3.24Å; T102-C106 VanDerWaalsContact O-CA 3.31Å; T102-C106 WeakPolarHBondContact O-CA 3.44Å; T102-E107 PolarHBondContact O-N 2.91Å; T102-I108 PolarHBondContact N-O 3.35Å; T102-I108 WeakPolarHBondContact O-CA 3.41Å; T102-I108 VanDerWaalsContact O-CB 3.28Å; T102-I108 WeakPolarHBondContact O-CB 3.04Å; T102-I108 PolarHBondContact O-N 3.27Å; T102-I108 PolarHBondContact OG1-O 2.98Å; T102-P110 HydrophobicContact CG2-CG 4.46Å
103	G	78.1	Confident	72.5	Confident	32 Å²	32	88.8 Å²	88.8	33%	0.33	46%	0.457	S	S	.	.	S	Bend	trans	102.6	171.7	-171.8	0	0	0	0	0	111.6	F105 E107	G103-F105 VanDerWaalsContact C-N 3.33Å; G103-E107 VanDerWaalsContact CA-OE1 3.28Å; G103-E107 WeakPolarHBondContact CA-OE1 3.38Å; G103-E107 WeakPolarHBondContact CA-OE2 3.28Å
104	T	79.1	Confident	70.8	Confident	92 Å²	92	91.7 Å²	91.7	56%	0.564	49%	0.487	S	S	*	.	S	Bend	trans	-77.1	-24.9	-179.4	46	0	0	0	0	112.6	E107	T104-E107 PolarHBondContact N-OE1 3.35Å; T104-E107 PolarHBondContact N-OE2 2.88Å
105	F	82.4	Confident	68.7	Low	89 Å²	89	92.2 Å²	92.2	39%	0.39	50%	0.503	S	S	.	.	S	Bend	trans	-115.9	14.3	179.1	-52.9	-58.3	0	0	0	111.3	Q81 C82 D83 G103 E107	Q81-F105 HydrophobicContact CG-CD1 4.05Å; Q81-F105 HydrophobicContact CG-CE1 4.05Å; Q81-F105 WeakPolarHBondContact O-CB 3.3Å; Q81-F105 WeakPolarHBondContact O-CD1 3.16Å; C82-F105 CarbonylContact C-O 3.52Å; C82-F105 WeakPolarHBondContact CA-O 3.43Å; D83-F105 WeakPolarHBondContact CB-O 3.31Å; D83-F105 PolarHBondContact N-O 2.72Å; G103-F105 VanDerWaalsContact C-N 3.33Å; F105-E107 VanDerWaalsContact C-OE2 3.23Å; F105-E107 VanDerWaalsContact CA-OE2 3.29Å; F105-E107 WeakPolarHBondContact CA-OE2 3.18Å; F105-E107 PolarHBondContact N-OE2 2.87Å; F105-E107 PolarHBondContact O-N 2.88Å
106	C	83.8	Confident	66.5	Low	0 Å²	0	99.6 Å²	99.6	0%	0	54%	0.54	C	S	.	.	S	Bend	trans	61.3	21.6	-175.3	-51.6	0	0	0	0	115.1	D83 N84 C95 C97 T102 I108	D83-C106 WeakPolarHBondContact O-CB 3.25Å; N84-C106 PolarHBondContact ND2-O 2.77Å; C95-C106 WeakPolarHBondContact CB-SG 3.35Å; C97-C106 WeakPolarHBondContact CA-SG 2.99Å; C97-C106 HydrophobicContact CB-CB 3.82Å; C97-C106 WeakPolarHBondContact CB-SG 3.37Å; C97-C106 WeakPolarHBondContact SG-CA 3.49Å; C97-C106 WeakPolarHBondContact SG-CB 3.37Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.47Å; T102-C106 CarbonylContact O-C 3.58Å; T102-C106 VanDerWaalsContact O-C 3.24Å; T102-C106 VanDerWaalsContact O-CA 3.31Å; T102-C106 WeakPolarHBondContact O-CA 3.44Å; C106-I108 VanDerWaalsContact C-N 3.33Å; C106-I108 PolarHBondContact O-N 3.47Å
107	E	84.1	Confident	64.2	Low	75 Å²	75	102.8 Å²	102.8	35%	0.35	56%	0.555	S	S	.	*			trans	-70	-25	-177.8	73.2	-71	174.3	0	0	113.5	D83 T102 G103 T104 F105	D83-E107 WeakPolarHBondContact OD2-CB 3.2Å; T102-E107 PolarHBondContact O-N 2.91Å; G103-E107 VanDerWaalsContact CA-OE1 3.28Å; G103-E107 WeakPolarHBondContact CA-OE1 3.38Å; G103-E107 WeakPolarHBondContact CA-OE2 3.28Å; T104-E107 PolarHBondContact N-OE1 3.35Å; T104-E107 PolarHBondContact N-OE2 2.88Å; F105-E107 VanDerWaalsContact C-OE2 3.23Å; F105-E107 VanDerWaalsContact CA-OE2 3.29Å; F105-E107 WeakPolarHBondContact CA-OE2 3.18Å; F105-E107 PolarHBondContact N-OE2 2.87Å; F105-E107 PolarHBondContact O-N 2.88Å
108	I	80.9	Confident	62	Low	85 Å²	85	105.7 Å²	105.7	44%	0.436	58%	0.576	S	S	.	*	B	Isolated β-bridge	trans	-94.4	104.7	-172.6	-46.9	176.5	0	0	0	111	T102 C106 P110	T102-I108 PolarHBondContact N-O 3.35Å; T102-I108 WeakPolarHBondContact O-CA 3.41Å; T102-I108 VanDerWaalsContact O-CB 3.28Å; T102-I108 WeakPolarHBondContact O-CB 3.04Å; T102-I108 PolarHBondContact O-N 3.27Å; T102-I108 PolarHBondContact OG1-O 2.98Å; C106-I108 VanDerWaalsContact C-N 3.33Å; C106-I108 PolarHBondContact O-N 3.47Å; I108-P110 WeakPolarHBondContact O-CD 3.27Å
109	I	70.6	Confident	60.1	Low	110 Å²	110	111 Å²	111	56%	0.564	60%	0.6	S	S	*	*			trans	-64	116.8	159	-61.3	165.7	0	0	0	108.4	Y101 K111	Y101-I109 HydrophobicContact CD1-CG1 3.81Å; Y101-I109 HydrophobicContact CE1-CD1 4.16Å; Y101-I109 HydrophobicContact CE1-CG1 3.4Å; I109-K111 PolarHBondContact O-N 2.96Å
110	P	59.6	Low	58.1	Low	60 Å²	60	107.3 Å²	107.3	39%	0.39	59%	0.587	S	S	.	*			trans	-70.4	101.2	174.5	30.7	-28.9	0	0	0	108.3	G100 T102 I108 K112	G100-P110 WeakPolarHBondContact O-CD 3.42Å; T102-P110 HydrophobicContact CG2-CG 4.46Å; I108-P110 WeakPolarHBondContact O-CD 3.27Å; P110-K112 PolarHBondContact O-N 3.48Å
111	K	48	Very low	56.2	Low	191 Å²	191	113.6 Å²	113.6	83%	0.83	61%	0.609	S	S	*	*			trans	-47.7	126.1	174.2	-69.3	175.9	178.2	171.4	0	109.2	I109 Q113	I109-K111 PolarHBondContact O-N 2.96Å; K111-Q113 PolarHBondContact O-N 3.47Å
112	K	40.5	Very low	53.9	Low	212 Å²	212	121.1 Å²	121.1	92%	0.922	64%	0.636	S	S	*	*			trans	-63	77.6	-179.8	-79.2	-178.4	175.5	170.3	0	112.7	P110	P110-K112 PolarHBondContact O-N 3.48Å
113	Q	37.3	Very low	51.8	Low	181 Å²	181	122.6 Å²	122.6	85%	0.846	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-63.2	121.6	134	-65.6	-174.4	-3.7	0	0	105.7	K111 S115	K111-Q113 PolarHBondContact O-N 3.47Å; Q113-S115 PolarHBondContact O-N 3.28Å; Q113-S115 VanDerWaalsContact O-N 3.09Å
114	G	33.1	Very low	50	Low	77 Å²	77	130.4 Å²	130.4	79%	0.794	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-57.4	117	-170.4	0	0	0	0	0	111.2	L116	G114-L116 PolarHBondContact O-N 3.44Å
115	S	30.9	Very low	48	Very low	117 Å²	117	134.1 Å²	134.1	82%	0.818	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-61.5	129.3	-173.8	49.2	0	0	0	0	112.1	Q113	Q113-S115 PolarHBondContact O-N 3.28Å; Q113-S115 VanDerWaalsContact O-N 3.09Å
116	L	37.7	Very low	45.8	Very low	166 Å²	166	137.5 Å²	137.5	87%	0.869	72%	0.722	S	S	*	*				-176.9	51.5	129.1	-156.1	66.9	0	0	0	114.3	G114	G114-L116 PolarHBondContact O-N 3.44Å
117	E	34.8	Very low	44.1	Very low	197 Å²	197	146 Å²	146	92%	0.921	77%	0.766	S	S	*	*			trans	-132.6	131.6	162.6	-65.6	-166.3	174.3	0	0	108.7
118	S	34.8	Very low	42.2	Very low	104 Å²	104	145.3 Å²	145.3	73%	0.727	78%	0.779	S	S	*	*			cis	-142.2	163.6	-8.9	66.2	0	0	0	0	108.3
119	M	37.2	Very low	40.6	Very low	156 Å²	156	148.6 Å²	148.6	77%	0.768	80%	0.802	S	S	*	*				-163.2	134.9	71	-78.1	169.1	58.5	0	0	112.8
120	N	34.2	Very low	39.5	Very low	129 Å²	129	147 Å²	147	69%	0.69	81%	0.813	S	S	*	*			trans	51.4	85.9	142.1	-59.6	-38.6	0	0	0	121.4
121	I	32.9	Very low	39.5	Very low	175 Å²	175	149.5 Å²	149.5	90%	0.897	83%	0.832	S	S	*	*				-127.3	111.7	124.8	-59.5	-175.9	0	0	0	108.9
122	R	32.1	Very low	39.6	Very low	234 Å²	234	143.5 Å²	143.5	88%	0.883	81%	0.811	S	S	*	*			trans	-84.1	146	174.5	-104.3	176.2	168	165.1	-3.7	110.7
123	A	35.4	Very low	40.3	Very low	93 Å²	93	139.3 Å²	139.3	77%	0.769	80%	0.803	S	S	*	*			trans	69.7	104.3	166.3	0	0	0	0	0	118.3
124	M	39.8	Very low	41.3	Very low	196 Å²	196	136 Å²	136	97%	0.966	80%	0.795	S	S	*	*				-173.5	91	112.1	-96.8	-173.5	-162.8	0	0	110.6
125	L	37.1	Very low	42.4	Very low	169 Å²	169	139.2 Å²	139.2	89%	0.885	79%	0.787	S	S	*	*			trans	-154.6	94.9	175	-134.1	176.9	0	0	0	112.3
126	L	38	Very low	43.6	Very low	160 Å²	160	137.9 Å²	137.9	84%	0.838	77%	0.77	S	S	*	*			trans	-153	141.1	170.1	-77.4	-178.1	0	0	0	110.3
127	I	47.7	Very low	44.5	Very low	180 Å²	180	135.5 Å²	135.5	92%	0.923	76%	0.763	S	S	*	*			trans	72.6	127.8	174.8	-46	156.6	0	0	0	114.4
128	G	43.8	Very low	45.7	Very low	60 Å²	60	131.7 Å²	131.7	62%	0.619	75%	0.748	S	S	*	*			cis	172.1	138.7	-9.3	0	0	0	0	0	116
129	V	46.4	Very low	46.8	Very low	153 Å²	153	133.2 Å²	133.2	93%	0.927	75%	0.745	S	S	*	*			trans	42.4	109.9	146.8	-128.2	0	0	0	0	122
130	G	49.1	Very low	47.6	Very low	77 Å²	77	130.1 Å²	130.1	79%	0.794	74%	0.744	S	S	*	*				58.3	120.4	124.5	0	0	0	0	0	122.8
131	S	58	Low	48.5	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	74%	0.74	S	S	*	*			trans	-160	-10.4	155.8	-161.2	0	0	0	0	118.1
132	T	50	Low	49.5	Very low	65 Å²	65	125.8 Å²	125.8	40%	0.399	73%	0.733	S	S	.	*	G	3₁₀ helix	trans	-87.8	-13.2	-164.7	43.9	0	0	0	0	117.2	V134 F135	T132-V134 PolarHBondContact O-N 2.88Å; T132-V134 VanDerWaalsContact O-N 3.07Å; T132-F135 PolarHBondContact O-N 2.94Å
133	V	56.3	Low	49.9	Very low	125 Å²	125	120.6 Å²	120.6	76%	0.758	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-60.6	-24.3	-171.4	179.2	0	0	0	0	113.5	F135	V133-F135 PolarHBondContact O-N 2.94Å
134	V	58	Low	50.2	Low	111 Å²	111	121.3 Å²	121.3	67%	0.673	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-70.5	-26	-176.4	-178.1	0	0	0	0	113.4	T132	T132-V134 PolarHBondContact O-N 2.88Å; T132-V134 VanDerWaalsContact O-N 3.07Å
135	F	56.3	Low	50.5	Low	144 Å²	144	116.7 Å²	116.7	63%	0.632	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-22.5	-166.2	-111.2	-86.4	0	0	0	115.9	T132 V133	T132-F135 PolarHBondContact O-N 2.94Å; V133-F135 PolarHBondContact O-N 2.94Å
136	I	55.8	Low	50.6	Low	89 Å²	89	112.3 Å²	112.3	46%	0.456	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.6	-38.9	-174.6	-59.8	175.4	0	0	0	111.3	L138 M139 Q971	I136-L138 PolarHBondContact O-N 2.92Å; I136-M139 PolarHBondContact O-N 3.38Å; I136-Q971 HydrophobicContact CD1-CB 4.34Å; I136-Q971 HydrophobicContact CD1-CG 3.85Å; I136-Q971 HydrophobicContact CG1-CG 4.04Å
137	V	57.8	Low	50.5	Low	117 Å²	117	113.2 Å²	113.2	71%	0.709	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-28	-175.8	-176.8	0	0	0	0	112.4
138	L	59	Low	49.9	Very low	116 Å²	116	111.9 Å²	111.9	61%	0.607	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-25.3	-178.8	-94.3	158.8	0	0	0	114.6	I136	I136-L138 PolarHBondContact O-N 2.92Å
139	M	57.5	Low	49.6	Very low	136 Å²	136	113.2 Å²	113.2	67%	0.67	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-25.5	-175.6	-72.8	-63.7	-170.4	0	0	113.7	I136 A141	I136-M139 PolarHBondContact O-N 3.38Å; M139-A141 PolarHBondContact O-N 2.9Å
140	A	54.4	Low	49.1	Very low	91 Å²	91	111.9 Å²	111.9	75%	0.752	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-16.2	178	0	0	0	0	0	113.7
141	A	53.7	Low	48.4	Very low	74 Å²	74	112 Å²	112	61%	0.612	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-0.7	-172.5	0	0	0	0	0	115.2	M139	M139-A141 PolarHBondContact O-N 2.9Å
142	L	53.3	Low	47.2	Very low	140 Å²	140	115 Å²	115	73%	0.733	72%	0.718	S	S	*	*	S	Bend	trans	-111.6	-0.5	-168.8	-70.7	173	0	0	0	115.4
143	C	39.8	Very low	46.3	Very low	125 Å²	125	120.2 Å²	120.2	85%	0.845	74%	0.738	S	S	*	*	S	Bend	trans	-100.6	22.4	-167.2	-152.5	0	0	0	0	115.2
144	S	43.1	Very low	45.1	Very low	108 Å²	108	119 Å²	119	76%	0.755	74%	0.741	S	S	*	*			trans	-133.2	48.7	-165.8	48.8	0	0	0	0	115.2
145	A	45.7	Very low	44.1	Very low	99 Å²	99	119.4 Å²	119.4	82%	0.818	75%	0.746	S	S	*	*			trans	-152.9	73.7	177.3	0	0	0	0	0	116.8
146	G	39	Very low	42.7	Very low	76 Å²	76	118.8 Å²	118.8	78%	0.784	76%	0.758	S	S	*	*			trans	64.7	-179.9	155.6	0	0	0	0	0	119.1
147	Q	36.5	Very low	41.5	Very low	180 Å²	180	122.6 Å²	122.6	84%	0.841	77%	0.772	S	S	*	*			cis	-164	150.7	-19	-123.5	-172.8	-9	0	0	111.2
148	L	34.9	Very low	40.1	Very low	152 Å²	152	125.3 Å²	125.3	80%	0.796	78%	0.777	S	S	*	*			trans	58.3	116.9	160.2	-87.9	71.5	0	0	0	120.8
149	A	36.3	Very low	38.6	Very low	88 Å²	88	127.3 Å²	127.3	73%	0.727	79%	0.785	S	S	*	*				146.5	124.3	101.8	0	0	0	0	0	115.8
150	S	36.3	Very low	37.3	Very low	125 Å²	125	127.2 Å²	127.2	87%	0.874	79%	0.785	S	S	*	*			trans	45.5	122	153.5	61	0	0	0	0	121.5
151	G	35.1	Very low	36	Very low	80 Å²	80	126.6 Å²	126.6	83%	0.825	78%	0.78	S	S	*	*			trans	153.1	114.5	163.5	0	0	0	0	0	112.4
152	E	32	Very low	35	Very low	175 Å²	175	131.6 Å²	131.6	82%	0.818	79%	0.791	S	S	*	*			trans	-50.3	143.8	-167.6	-76.1	166.1	90	0	0	118.8
153	Q	30.5	Very low	33.7	Very low	173 Å²	173	132.1 Å²	132.1	81%	0.808	80%	0.795	S	S	*	*			trans	61.5	83.2	149.5	-62.1	-180	36.7	0	0	119.2
154	A	31	Very low	33.3	Very low	100 Å²	100	130.6 Å²	130.6	83%	0.826	79%	0.786	S	S	*	*			trans	-146.5	100.3	156.6	0	0	0	0	0	111.7
155	P	37.9	Very low	32.6	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	78%	0.782	S	S	*	*			trans	-92.1	102	179.3	33.4	-31	0	0	0	112.6	F157	P155-F157 PolarHBondContact O-N 3.37Å
156	C	26.4	Very low	31.9	Very low	132 Å²	132	133.2 Å²	133.2	89%	0.892	78%	0.783	S	S	*	*			trans	-86.2	82.6	156.7	-78.5	0	0	0	0	109.9
157	F	31	Very low	31.3	Very low	169 Å²	169	137.9 Å²	137.9	74%	0.741	79%	0.787	S	S	*	*			trans	-141.7	117.3	165.8	-110	-97.5	0	0	0	106.5	P155	P155-F157 PolarHBondContact O-N 3.37Å
158	Q	27.9	Very low	31.3	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.813	78%	0.781	S	S	*	*				51.5	82.6	86	-80.6	-168.7	-65.5	0	0	113.9
159	M	27.2	Very low	31.3	Very low	158 Å²	158	134.2 Å²	134.2	78%	0.778	78%	0.778	S	S	*	*			trans	-128.1	128	152.2	-70.5	-178.9	73.1	0	0	105.7
160	I	30.8	Very low	31	Very low	133 Å²	133	142.1 Å²	142.1	68%	0.682	79%	0.789	S	S	*	*				61.2	104	106.6	-59.2	160.7	0	0	0	110.4
161	A	28.3	Very low	30.9	Very low	78 Å²	78	139.8 Å²	139.8	65%	0.645	79%	0.785	S	S	*	*				75.6	150.4	54.6	0	0	0	0	0	113.3
162	E	32	Very low	31	Very low	179 Å²	179	141.9 Å²	141.9	84%	0.836	78%	0.784	S	S	*	*			trans	61.2	123.3	-174.8	-67.6	133	-126.2	0	0	114.9
163	D	26.9	Very low	31.4	Very low	151 Å²	151	138.5 Å²	138.5	81%	0.807	78%	0.777	S	S	*	*			cis	85.9	139.1	23.8	-157.1	16.2	0	0	0	116
164	S	29.9	Very low	31.8	Very low	94 Å²	94	136.6 Å²	136.6	66%	0.657	78%	0.778	S	S	*	*			trans	72	173.8	163	85.9	0	0	0	0	120.9
165	S	28.8	Very low	32.1	Very low	97 Å²	97	137.3 Å²	137.3	68%	0.678	77%	0.774	S	S	*	*			trans	79.8	118.1	161	-56.2	0	0	0	0	117.6
166	I	30.6	Very low	32.2	Very low	164 Å²	164	137.7 Å²	137.7	84%	0.841	78%	0.776	S	S	*	*			cis	78.4	122.1	46.4	-57.6	167.8	0	0	0	112.5
167	M	27.3	Very low	32.6	Very low	174 Å²	174	139 Å²	139	86%	0.857	77%	0.773	S	S	*	*			trans	-88.4	172.8	172.7	-62	-171.8	-170.6	0	0	111.2
168	P	36.7	Very low	32.9	Very low	110 Å²	110	135 Å²	135	71%	0.714	77%	0.766	S	S	*	*			cis	-129.8	-170.6	-35.9	29.5	-9.3	0	0	0	111.1
169	I	34.9	Very low	33.3	Very low	146 Å²	146	134.6 Å²	134.6	75%	0.749	77%	0.77	S	S	*	*				160.8	121.3	128.1	-82.1	157.7	0	0	0	112.5
170	W	30.1	Very low	33.6	Very low	254 Å²	254	130 Å²	130	96%	0.962	76%	0.763	S	S	*	*			trans	26.3	120.2	151	-64.2	66.6	0	0	0	122.1
171	G	34.5	Very low	34	Very low	75 Å²	75	132.5 Å²	132.5	77%	0.773	77%	0.772	S	S	*	*			trans	150.2	107.9	145	0	0	0	0	0	118.7
172	P	37.2	Very low	34.4	Very low	124 Å²	124	135 Å²	135	81%	0.805	77%	0.774	S	S	*	*			trans	-96.9	177	157.9	40.6	-34.6	0	0	0	110.9
173	P	38.7	Very low	34.1	Very low	105 Å²	105	130.6 Å²	130.6	68%	0.682	76%	0.762	S	S	*	*			cis	-138.6	-177.3	6.8	40.2	-20.6	0	0	0	117.2
174	T	39.1	Very low	34.4	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	76%	0.764	S	S	*	*			trans	75.8	152.9	152.9	37.7	0	0	0	0	121.6
175	P	38.3	Very low	34.4	Very low	115 Å²	115	131.7 Å²	131.7	75%	0.747	76%	0.763	S	S	*	*			trans	-95.8	173.4	-166.5	40.6	-38.2	0	0	0	115.1
176	P	39.7	Very low	34.4	Very low	126 Å²	126	132.9 Å²	132.9	82%	0.818	77%	0.767	S	S	*	*			trans	-99.2	174.7	-156.6	39.5	-38.2	0	0	0	116.5
177	L	35.8	Very low	34.5	Very low	159 Å²	159	130.4 Å²	130.4	83%	0.832	76%	0.759	S	S	*	*			trans	-157	127.9	170.7	-115	160.6	0	0	0	110.1
178	S	36.7	Very low	34.8	Very low	86 Å²	86	128.1 Å²	128.1	60%	0.601	75%	0.75	S	S	*	*			trans	45.6	146.6	152.4	58.4	0	0	0	0	121.8
179	D	36.5	Very low	34.7	Very low	165 Å²	165	129.8 Å²	129.8	88%	0.882	75%	0.753	S	S	*	*			cis	-170.9	169.5	-13	-91.6	-33.9	0	0	0	107.3
180	G	34	Very low	34.7	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	75%	0.754	S	S	*	*			trans	111.2	125.9	174.4	0	0	0	0	0	113.4
181	E	39.2	Very low	34.8	Very low	185 Å²	185	121.3 Å²	121.3	86%	0.864	74%	0.739	S	S	*	*				68.8	132	56.6	-62.2	-179.7	170.2	0	0	111.9
182	D	34.9	Very low	34.7	Very low	130 Å²	130	129.8 Å²	129.8	70%	0.695	75%	0.748	S	S	*	*			cis	-160.5	134.1	1.3	-129.6	12.7	0	0	0	108.7
183	C	26.8	Very low	34.4	Very low	87 Å²	87	127.3 Å²	127.3	59%	0.588	75%	0.745	S	S	*	*				96.3	152.8	86	-100.9	0	0	0	0	116.6
184	F	32	Very low	34.2	Very low	191 Å²	191	127.7 Å²	127.7	84%	0.838	75%	0.747	S	S	*	*			trans	66	147.9	160.9	-61.6	-50.8	0	0	0	119.6
185	A	31.8	Very low	33.6	Very low	78 Å²	78	131.5 Å²	131.5	65%	0.645	75%	0.748	S	S	*	*			cis	-163.9	168.5	-15.1	0	0	0	0	0	112.9
186	T	28.2	Very low	33	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	75%	0.75	S	S	*	*			trans	-13.1	150.5	150.3	56.7	0	0	0	0	117.8
187	V	33.4	Very low	32.5	Very low	112 Å²	112	139 Å²	139	68%	0.679	75%	0.75	S	S	*	*				-165.2	136.5	70.4	154.5	0	0	0	0	111.2
188	D	31.9	Very low	32.2	Very low	126 Å²	126	137.8 Å²	137.8	67%	0.674	75%	0.749	S	S	*	*			trans	21.9	142.8	134.6	-35.2	-45.8	0	0	0	119.7
189	D	36.1	Very low	31.9	Very low	145 Å²	145	138.3 Å²	138.3	78%	0.775	75%	0.751	S	S	*	*				-175.4	158.3	67.2	-105.9	-37.1	0	0	0	114.6
190	D	33.4	Very low	31.6	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	75%	0.753	S	S	*	*			trans	43.1	97.6	150.6	-82.6	-14.6	0	0	0	125.2
191	A	32.5	Very low	31.3	Very low	77 Å²	77	139.6 Å²	139.6	64%	0.636	76%	0.755	S	S	*	*				82.7	165	107.1	0	0	0	0	0	123.7
192	W	33.2	Very low	30.8	Very low	253 Å²	253	140.4 Å²	140.4	96%	0.958	76%	0.759	S	S	*	*			trans	77	105.1	170.2	-61.6	88.3	0	0	0	121.1
193	G	30.2	Very low	30.7	Very low	72 Å²	72	142 Å²	142	74%	0.742	77%	0.767	S	S	*	*				102.8	112.5	125.1	0	0	0	0	0	119.4
194	P	35.8	Very low	31.2	Very low	112 Å²	112	142.9 Å²	142.9	73%	0.727	77%	0.771	S	S	*	*			trans	-92.1	166.9	171	35.8	-33.6	0	0	0	114.4
195	Y	26.2	Very low	30.9	Very low	214 Å²	214	141.3 Å²	141.3	84%	0.839	77%	0.771	S	S	*	*			trans	69.2	107	175.2	-60.8	-85.6	0	0	0	118
196	F	26	Very low	30.6	Very low	182 Å²	182	143 Å²	143	80%	0.798	78%	0.776	S	S	*	*				177.4	155.7	103.1	-107.9	-76.7	0	0	0	113.4
197	R	28.3	Very low	30.5	Very low	216 Å²	216	142.8 Å²	142.8	82%	0.815	78%	0.775	S	S	*	*			trans	70.5	113.4	159.1	-74.9	173.4	-115.6	-130.8	-4.3	120.2
198	T	29.4	Very low	30.5	Very low	133 Å²	133	144.6 Å²	144.6	82%	0.816	79%	0.785	S	S	*	*			trans	-38.8	154.6	146	52.3	0	0	0	0	114.9
199	P	31.3	Very low	30.3	Very low	98 Å²	98	145 Å²	145	64%	0.636	79%	0.787	S	S	*	*				-146.6	166.1	112.2	41.2	-28.7	0	0	0	115.6
200	M	29.1	Very low	30.1	Very low	187 Å²	187	144.4 Å²	144.4	92%	0.921	79%	0.789	S	S	*	*			trans	63	171.2	158.4	-64.7	141.1	-171.4	0	0	116.2
201	G	27.9	Very low	30	Very low	66 Å²	66	144.7 Å²	144.7	68%	0.68	79%	0.786	S	S	*	*			cis	145.8	110.8	-14.4	0	0	0	0	0	114.2
202	E	27.5	Very low	29.9	Very low	203 Å²	203	147.2 Å²	147.2	95%	0.949	78%	0.784	S	S	*	*			trans	64.2	174.6	159	-58.2	-174.9	140.3	0	0	120.1
203	L	34.7	Very low	29.7	Very low	164 Å²	164	142.2 Å²	142.2	86%	0.859	77%	0.769	S	S	*	*			trans	-69.4	171.8	177.7	-88.7	75.9	0	0	0	111.7
204	P	35.6	Very low	29.8	Very low	105 Å²	105	144.5 Å²	144.5	68%	0.682	77%	0.765	S	S	*	*			cis	-153	-170.9	32.3	44.8	-22.5	0	0	0	118.8
205	L	26.7	Very low	29.4	Very low	158 Å²	158	146.3 Å²	146.3	83%	0.827	76%	0.761	S	S	*	*			trans	26	127.9	144.5	-77.6	156.6	0	0	0	121.5
206	C	24.6	Very low	29.6	Very low	113 Å²	113	143.7 Å²	143.7	76%	0.764	75%	0.754	S	S	*	*				177.9	132.1	104.8	-100.3	0	0	0	0	116.4
207	V	26.3	Very low	29.7	Very low	118 Å²	118	142.1 Å²	142.1	72%	0.715	75%	0.753	S	S	*	*			trans	38.8	120.5	140	-169.7	0	0	0	0	121.4	D209	V207-D209 HydrophobicContact CG1-CB 4.29Å
208	V	34.3	Very low	29.8	Very low	149 Å²	149	135.7 Å²	135.7	90%	0.903	75%	0.746	S	S	*	*				-129.2	140.9	125.5	-178.3	0	0	0	0	107.4
209	D	27.2	Very low	29.9	Very low	134 Å²	134	134.1 Å²	134.1	72%	0.717	75%	0.746	S	S	*	*			trans	-115.6	131.8	-167.9	-161.2	-14.5	0	0	0	110.9	V207	V207-D209 HydrophobicContact CG1-CB 4.29Å
210	V	32.7	Very low	30	Very low	134 Å²	134	132.9 Å²	132.9	81%	0.812	75%	0.752	S	S	*	*			trans	-145.5	119.5	164.9	-172.2	0	0	0	0	110
211	E	29.8	Very low	30.2	Very low	151 Å²	151	131.9 Å²	131.9	71%	0.706	75%	0.749	S	S	*	*			trans	-51.3	162.5	176.7	-31.7	173.5	154.3	0	0	114.8
212	Q	31.4	Very low	30.9	Very low	130 Å²	130	133.8 Å²	133.8	61%	0.607	75%	0.75	S	S	*	*			cis	-157	144	39.3	-75.6	-165.2	-3.9	0	0	115.5
213	K	29.5	Very low	31.2	Very low	147 Å²	147	129.4 Å²	129.4	64%	0.639	74%	0.741	S	S	*	*			trans	78	118.7	134.9	-75.3	170.7	-172.2	153.2	0	123.5
214	D	30.9	Very low	31.6	Very low	121 Å²	121	126.5 Å²	126.5	65%	0.647	73%	0.732	S	S	*	*				78.6	135.3	127.4	-57.2	-10.8	0	0	0	119.2
215	F	28.5	Very low	31.7	Very low	149 Å²	149	127.5 Å²	127.5	65%	0.654	74%	0.737	S	S	*	*			cis	-160.1	148.7	10.2	-127.3	-44	0	0	0	113.6
216	F	29.2	Very low	32	Very low	159 Å²	159	124.8 Å²	124.8	70%	0.697	73%	0.731	S	S	*	*			trans	64.4	128.8	166.7	-61	-76.1	0	0	0	119
217	I	28	Very low	32.9	Very low	149 Å²	149	124.4 Å²	124.4	76%	0.764	73%	0.727	S	S	*	*			cis	110.5	135.2	23.9	-79.3	168.9	0	0	0	112.1
218	A	30.6	Very low	33.3	Very low	82 Å²	82	125.1 Å²	125.1	68%	0.678	73%	0.731	S	S	*	*			cis	-171.4	157	-21	0	0	0	0	0	113.6
219	A	33.2	Very low	33.2	Very low	99 Å²	99	125.2 Å²	125.2	82%	0.818	72%	0.722	S	S	*	*			trans	52.2	154.8	140.3	0	0	0	0	0	123
220	G	31.8	Very low	33.5	Very low	73 Å²	73	124.7 Å²	124.7	75%	0.753	72%	0.715	S	S	*	*			cis	-171.8	-146.1	3.5	0	0	0	0	0	111.5
221	L	33.4	Very low	33.5	Very low	165 Å²	165	125.1 Å²	125.1	86%	0.864	71%	0.706	S	S	*	*			cis	-142	-96.7	7.8	-89.5	173.5	0	0	0	115.9
222	P	43.3	Very low	33.6	Very low	107 Å²	107	126.2 Å²	126.2	70%	0.695	71%	0.711	S	S	*	*				-139.4	171.1	-127.5	43.6	-26.4	0	0	0	122.6
223	S	34.1	Very low	33.6	Very low	110 Å²	110	124.7 Å²	124.7	77%	0.769	72%	0.715	S	S	*	*			trans	106.4	151.4	134.1	78.9	0	0	0	0	120.1
224	P	43	Very low	33.8	Very low	103 Å²	103	123 Å²	123	67%	0.669	72%	0.722	S	S	*	*			cis	-147.8	-178.5	-37.7	40.5	-23	0	0	0	117.7
225	T	38	Very low	33.9	Very low	127 Å²	127	123 Å²	123	78%	0.779	73%	0.732	S	S	*	*			trans	72.4	158.4	158.5	56.2	0	0	0	0	119.3
226	S	32.4	Very low	34.2	Very low	101 Å²	101	119.2 Å²	119.2	71%	0.706	73%	0.734	S	S	*	*			cis	176.3	179.4	-19.7	-87.8	0	0	0	0	110.4
227	P	43.2	Very low	34.5	Very low	105 Å²	105	121.1 Å²	121.1	68%	0.682	75%	0.745	S	S	*	*			cis	-141.1	175.3	-41.6	39.1	-20.8	0	0	0	116.9
228	V	34.6	Very low	34.8	Very low	132 Å²	132	117.8 Å²	117.8	80%	0.8	74%	0.74	S	S	*	*			trans	57.4	147.1	160.5	-82.2	0	0	0	0	120.1
229	Q	33.3	Very low	34.9	Very low	152 Å²	152	120.8 Å²	120.8	71%	0.71	75%	0.749	S	S	*	*			cis	-151.2	164.3	8.6	-121.4	-174.5	-44.9	0	0	106
230	E	33.1	Very low	34.9	Very low	123 Å²	123	120 Å²	120	58%	0.575	74%	0.743	S	S	*	*			cis	-172.8	-172.5	-2.9	-138.1	-176.3	-151.9	0	0	107.6
231	K	31.6	Very low	34.9	Very low	142 Å²	142	121.9 Å²	121.9	62%	0.617	74%	0.744	S	S	*	*			cis	-160.3	161.7	-3.5	-149.8	-175.2	-158.8	97	0	109.4
232	Q	31.7	Very low	34.8	Very low	174 Å²	174	120.1 Å²	120.1	81%	0.813	74%	0.74	S	S	*	*			trans	63.2	139.6	161.2	-72.4	177	-24.8	0	0	120.1
233	S	32.1	Very low	34.2	Very low	98 Å²	98	122 Å²	122	69%	0.685	74%	0.744	S	S	*	*			cis	-168.4	168.3	-13.7	48.8	0	0	0	0	113.1
234	S	33.2	Very low	33.8	Very low	113 Å²	113	124.1 Å²	124.1	79%	0.79	75%	0.747	S	S	*	*			trans	71.9	126.6	178.5	71.8	0	0	0	0	115.2
235	S	33.7	Very low	33.4	Very low	121 Å²	121	122.8 Å²	122.8	85%	0.846	75%	0.751	S	S	*	*			cis	116.5	126.4	11.9	65.4	0	0	0	0	110.7
236	G	35.2	Very low	33.1	Very low	68 Å²	68	124.8 Å²	124.8	70%	0.701	76%	0.756	S	S	*	*			cis	171.8	-167.5	-2.9	0	0	0	0	0	112.6
237	E	35	Very low	32.9	Very low	200 Å²	200	130 Å²	130	94%	0.935	76%	0.76	S	S	*	*			trans	70	145.4	160.3	-60.3	-168.6	143.3	0	0	119.4
238	A	34.1	Very low	32.1	Very low	79 Å²	79	132.6 Å²	132.6	65%	0.653	76%	0.763	S	S	*	*			cis	-168.5	149.9	-18.4	0	0	0	0	0	112.5
239	V	32.2	Very low	31.9	Very low	144 Å²	144	130.9 Å²	130.9	87%	0.873	76%	0.763	S	S	*	*			trans	64.6	145.3	139.4	164	0	0	0	0	120.8
240	A	32.7	Very low	31.5	Very low	84 Å²	84	128.2 Å²	128.2	69%	0.694	77%	0.767	S	S	*	*			cis	-175.3	170.2	-30.9	0	0	0	0	0	111.2
241	S	32.6	Very low	31.2	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	78%	0.777	S	S	*	*			trans	94.9	154.5	135.7	-149.3	0	0	0	0	122.1
242	V	31.4	Very low	31.4	Very low	128 Å²	128	128.3 Å²	128.3	78%	0.776	79%	0.788	S	S	*	*			trans	67.1	109.9	171.2	-161	0	0	0	0	115.7
243	L	30.1	Very low	31.2	Very low	146 Å²	146	127.4 Å²	127.4	76%	0.764	78%	0.781	S	S	*	*			cis	85.9	140.7	31	-83.7	168.4	0	0	0	118.4
244	D	27	Very low	31.1	Very low	156 Å²	156	128.8 Å²	128.8	83%	0.834	78%	0.777	S	S	*	*			trans	65.9	134.5	166.5	-57.9	-40.5	0	0	0	120.5
245	G	33.9	Very low	30.9	Very low	74 Å²	74	129.2 Å²	129.2	76%	0.763	77%	0.77	S	S	*	*			trans	-179.4	34.3	-172.2	0	0	0	0	0	120.6
246	L	31.9	Very low	30.6	Very low	169 Å²	169	130 Å²	130	89%	0.885	76%	0.764	S	S	*	*			trans	43.8	115.4	154.8	-61.9	172.3	0	0	0	122.9
247	R	27.5	Very low	30.3	Very low	211 Å²	211	131.8 Å²	131.8	80%	0.796	76%	0.76	S	S	*	*				4.2	158	122.8	-112.7	173.6	171.5	-168	9.1	122.1
248	E	26.8	Very low	30.1	Very low	159 Å²	159	127.2 Å²	127.2	74%	0.743	75%	0.75	S	S	*	*			trans	82.7	100.8	147.3	-73.1	163.4	-148	0	0	121.4
249	A	30.3	Very low	29.9	Very low	97 Å²	97	129.7 Å²	129.7	80%	0.802	75%	0.753	S	S	*	*			trans	-174.6	129.7	133.7	0	0	0	0	0	108.2
250	A	25.9	Very low	29.7	Very low	95 Å²	95	128.7 Å²	128.7	79%	0.785	75%	0.747	S	S	*	*			cis	90.5	116.8	29.9	0	0	0	0	0	115
251	D	26.6	Very low	29.6	Very low	147 Å²	147	132.1 Å²	132.1	79%	0.786	75%	0.748	S	S	*	*			trans	47.9	104.6	160	-65	-17.4	0	0	0	122.2
252	S	34.8	Very low	29.5	Very low	120 Å²	120	133 Å²	133	84%	0.839	74%	0.744	S	S	*	*			trans	-142.2	80	135.2	60.8	0	0	0	0	113.3
253	K	28.5	Very low	29.5	Very low	156 Å²	156	131.7 Å²	131.7	68%	0.678	74%	0.74	S	S	*	*				5.2	146.4	124.9	-73.5	173.6	153.9	-129.2	0	117.1
254	E	30.2	Very low	29.4	Very low	126 Å²	126	129 Å²	129	59%	0.589	74%	0.739	S	S	*	*			cis	-168.2	159.3	22.5	-130.2	166.1	-134	0	0	112.2
255	N	28.6	Very low	29.5	Very low	123 Å²	123	126.1 Å²	126.1	66%	0.658	74%	0.737	S	S	*	*			trans	65.1	147.1	148.9	-64.7	-29.3	0	0	0	120.1
256	I	28.1	Very low	29.2	Very low	138 Å²	138	127.3 Å²	127.3	71%	0.708	73%	0.733	S	S	*	*			cis	-148.2	140	-0.2	-122.1	156.7	0	0	0	111
257	V	27.8	Very low	28.9	Very low	104 Å²	104	125.2 Å²	125.2	63%	0.63	72%	0.722	S	S	*	*			trans	12.8	126.9	142.8	-152.9	0	0	0	0	116
258	S	31.1	Very low	28.8	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	73%	0.726	S	S	*	*				-162.8	123.5	62.1	-49.8	0	0	0	0	116.3
259	N	29.6	Very low	28.7	Very low	132 Å²	132	123.8 Å²	123.8	71%	0.706	73%	0.726	S	S	*	*				64.9	129.2	121.6	-63.1	-7	0	0	0	124.2
260	V	29	Very low	28.5	Very low	123 Å²	123	123.5 Å²	123.5	75%	0.745	72%	0.718	S	S	*	*			trans	82.3	132	130.9	160.8	0	0	0	0	118
261	Q	30	Very low	28.6	Very low	155 Å²	155	127.7 Å²	127.7	72%	0.724	72%	0.724	S	S	*	*			cis	-179.9	168.3	-23.4	-120.4	179.5	-6.8	0	0	106.3
262	L	31.3	Very low	28.6	Very low	130 Å²	130	126 Å²	126	68%	0.681	73%	0.73	S	S	*	*			cis	-136.6	142.7	4	-93.8	137.5	0	0	0	106.1
263	S	30.3	Very low	28.3	Very low	100 Å²	100	124 Å²	124	70%	0.699	73%	0.729	S	S	*	*				66.9	139.6	84.4	111.3	0	0	0	0	115.6
264	A	27.8	Very low	28.3	Very low	89 Å²	89	123.7 Å²	123.7	74%	0.736	74%	0.735	S	S	*	*			cis	-168	173	-4.1	0	0	0	0	0	112.2
265	A	29.6	Very low	28.4	Very low	96 Å²	96	123.7 Å²	123.7	79%	0.793	74%	0.743	S	S	*	*			trans	74.2	158.2	149	0	0	0	0	0	120
266	S	28	Very low	28.6	Very low	99 Å²	99	122.7 Å²	122.7	69%	0.692	75%	0.746	S	S	*	*			cis	168.6	149.2	-41.3	-103.8	0	0	0	0	111.4
267	I	25.8	Very low	28.7	Very low	126 Å²	126	122.1 Å²	122.1	65%	0.646	75%	0.749	S	S	*	*			trans	71.5	111.4	137.7	-68.9	170.8	0	0	0	119.7
268	R	24.8	Very low	28.9	Very low	234 Å²	234	122.4 Å²	122.4	88%	0.883	76%	0.755	S	S	*	*			trans	72.5	151.7	140.5	-65.4	172.7	-161.1	161.1	6.6	122.6
269	S	25.6	Very low	29	Very low	105 Å²	105	122.3 Å²	122.3	73%	0.734	76%	0.755	S	S	*	*			trans	106.1	93.2	141.7	-153.5	0	0	0	0	118.9
270	S	25.8	Very low	29.1	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	75%	0.754	S	S	*	*				-8.4	153.1	126.3	53.3	0	0	0	0	120.4
271	M	26.4	Very low	29.2	Very low	182 Å²	182	123.2 Å²	123.2	90%	0.897	75%	0.753	S	S	*	*			trans	87.4	119.9	158.6	-64.8	174.4	-178.3	0	0	119.6
272	A	26.9	Very low	29	Very low	111 Å²	111	124 Å²	124	92%	0.917	76%	0.757	S	S	*	*			trans	32.1	134.3	142.7	0	0	0	0	0	121.9
273	G	28.8	Very low	29.4	Very low	80 Å²	80	122 Å²	122	83%	0.825	75%	0.752	S	S	*	*			trans	168.4	96.1	165.5	0	0	0	0	0	115.8
274	D	28.2	Very low	29.2	Very low	148 Å²	148	125.3 Å²	125.3	79%	0.791	76%	0.761	S	S	*	*			trans	-48.5	158.2	176.6	-88.4	-63.3	0	0	0	120.4
275	T	32.2	Very low	29.2	Very low	126 Å²	126	124 Å²	124	77%	0.773	76%	0.755	S	S	*	*			trans	65.3	144	151.9	56.8	0	0	0	0	119
276	S	33.3	Very low	29	Very low	103 Å²	103	125.8 Å²	125.8	72%	0.72	76%	0.757	S	S	*	*			cis	-149	143	31.8	41	0	0	0	0	111.3
277	V	31.2	Very low	28.9	Very low	126 Å²	126	127.2 Å²	127.2	76%	0.764	76%	0.757	S	S	*	*				53.1	96.2	76.7	-178.7	0	0	0	0	111.6
278	S	32.2	Very low	29.1	Very low	109 Å²	109	131.5 Å²	131.5	76%	0.762	77%	0.765	S	S	*	*				172.7	163.2	80.2	41	0	0	0	0	108.4
279	S	32.7	Very low	29.2	Very low	102 Å²	102	125 Å²	125	71%	0.713	76%	0.756	S	S	*	*			cis	-166.5	-167.6	-13.3	49.8	0	0	0	0	106.4
280	I	31.5	Very low	29.5	Very low	137 Å²	137	126.3 Å²	126.3	70%	0.703	76%	0.758	S	S	*	*			cis	-160.9	163.8	13.5	-153	156.1	0	0	0	110.4
281	L	30.9	Very low	29.8	Very low	138 Å²	138	125.8 Å²	125.8	72%	0.723	76%	0.76	S	S	*	*			trans	21.5	130.6	160.4	-64.3	162.1	0	0	0	121.2
282	E	26.8	Very low	29.8	Very low	171 Å²	171	121.7 Å²	121.7	80%	0.799	76%	0.755	S	S	*	*				60.6	154.2	51.9	-94.5	-163	-171.1	0	0	115.9
283	P	39.2	Very low	30.3	Very low	88 Å²	88	122 Å²	122	57%	0.571	75%	0.748	S	S	*	*				-140.4	-157.6	-59.2	34.1	-10.8	0	0	0	112.7
284	L	25.5	Very low	30.3	Very low	169 Å²	169	125.3 Å²	125.3	89%	0.885	75%	0.746	S	S	*	*			trans	73.1	156.5	157.6	-63.1	160.4	0	0	0	120
285	G	27.5	Very low	30.6	Very low	61 Å²	61	123.9 Å²	123.9	63%	0.629	74%	0.744	S	S	*	*			trans	122.8	66.4	166.3	0	0	0	0	0	116.2
286	T	26.2	Very low	30.5	Very low	134 Å²	134	126 Å²	126	82%	0.822	74%	0.743	S	S	*	*				64.8	114.5	94.3	64.6	0	0	0	0	118.4
287	D	25.9	Very low	30.4	Very low	129 Å²	129	127 Å²	127	69%	0.69	74%	0.74	S	S	*	*			trans	62.9	109.4	130.5	-174.3	42.2	0	0	0	120.7
288	R	29.2	Very low	30.5	Very low	216 Å²	216	128 Å²	128	82%	0.815	74%	0.741	S	S	*	*				179.7	140.3	115.1	-98.4	155.5	-164.8	-157.9	-0.2	116.8
289	S	27.5	Very low	30.3	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	73%	0.733	S	S	*	*			trans	17.3	145.3	143.7	64.1	0	0	0	0	120.8
290	V	31.5	Very low	30.1	Very low	131 Å²	131	129.2 Å²	129.2	79%	0.794	73%	0.734	S	S	*	*				-159.2	157.3	63.3	161.4	0	0	0	0	112.6
291	A	31.4	Very low	30.1	Very low	82 Å²	82	129.4 Å²	129.4	68%	0.678	74%	0.737	S	S	*	*			trans	-7.9	134.6	164.5	0	0	0	0	0	119.4
292	A	27.9	Very low	30	Very low	95 Å²	95	128.2 Å²	128.2	79%	0.785	74%	0.739	S	S	*	*				70.9	150.2	61.4	0	0	0	0	0	113.6
293	P	35.7	Very low	30.2	Very low	119 Å²	119	125.5 Å²	125.5	77%	0.773	73%	0.734	S	S	*	*			cis	-134.9	-176.2	23.5	44.3	-27.5	0	0	0	117.1
294	L	29.9	Very low	29.8	Very low	149 Å²	149	127.6 Å²	127.6	78%	0.78	75%	0.745	S	S	*	*			trans	-79.1	157.6	164.6	-68.6	87.3	0	0	0	112.2
295	P	35.1	Very low	30	Very low	117 Å²	117	124.1 Å²	124.1	76%	0.76	73%	0.734	S	S	*	*				-105.7	143.1	118.5	-5.8	24.7	0	0	0	110
296	K	28.4	Very low	30	Very low	170 Å²	170	131.1 Å²	131.1	74%	0.739	74%	0.742	S	S	*	*			cis	84.2	142.8	34	-72.7	-164.2	169.1	-167.9	0	115.5
297	D	33	Very low	29.9	Very low	125 Å²	125	133.1 Å²	133.1	67%	0.668	75%	0.747	S	S	*	*			trans	80.3	113.9	165.5	-52.4	-26.8	0	0	0	115.1
298	L	31.5	Very low	30	Very low	147 Å²	147	130.9 Å²	130.9	77%	0.77	75%	0.747	S	S	*	*				81.3	136.5	63.6	-93.2	71.8	0	0	0	111.8
299	T	28.8	Very low	30	Very low	100 Å²	100	127.3 Å²	127.3	61%	0.613	74%	0.744	S	S	*	*			cis	-173.9	162.3	-17.5	10.5	0	0	0	0	108.9
300	D	28.9	Very low	30.2	Very low	137 Å²	137	134 Å²	134	73%	0.733	75%	0.754	S	S	*	*			trans	73.6	160.9	148.4	-58	-21	0	0	0	122.9
301	D	30.9	Very low	30	Very low	141 Å²	141	135.3 Å²	135.3	75%	0.754	76%	0.756	S	S	*	*			trans	64	121.8	169.3	-65.5	-19.4	0	0	0	119.7
302	C	30	Very low	30.1	Very low	113 Å²	113	139.8 Å²	139.8	76%	0.764	77%	0.767	S	S	*	*			cis	-135.5	143.1	-3.1	-72	0	0	0	0	109
303	T	29.7	Very low	30.2	Very low	114 Å²	114	139.7 Å²	139.7	70%	0.699	77%	0.767	S	S	*	*			cis	86.3	136.2	34.8	-49.5	0	0	0	0	113.9
304	V	31.2	Very low	30.2	Very low	132 Å²	132	139.4 Å²	139.4	80%	0.8	77%	0.765	S	S	*	*			trans	75.9	125	-179.4	-172	0	0	0	0	114.8
305	C	29.2	Very low	30.3	Very low	96 Å²	96	136.8 Å²	136.8	65%	0.649	76%	0.759	S	S	*	*			cis	-164.6	172.2	-11.7	-110.5	0	0	0	0	108.1
306	Y	28.1	Very low	30.1	Very low	207 Å²	207	142 Å²	142	81%	0.812	77%	0.765	S	S	*	*			cis	-149.5	139.3	7.1	-135.7	-63.4	0	0	0	109.6
307	L	25	Very low	30.3	Very low	176 Å²	176	137 Å²	137	92%	0.921	76%	0.761	S	S	*	*			trans	-106.1	109.5	167.1	-109.1	172.9	0	0	0	110
308	A	28	Very low	30.1	Very low	83 Å²	83	137.3 Å²	137.3	69%	0.686	77%	0.768	S	S	*	*			trans	-171.8	147	161.3	0	0	0	0	0	106.5
309	D	28.2	Very low	30	Very low	141 Å²	141	140.6 Å²	140.6	75%	0.754	77%	0.77	S	S	*	*			cis	-160.1	153.2	27	-165.9	4.9	0	0	0	111.1
310	R	30.8	Very low	30	Very low	238 Å²	238	145.7 Å²	145.7	90%	0.898	78%	0.778	S	S	*	*			trans	160.2	67.5	152.8	-92.6	178.7	-179.2	-145.2	0.3	113.9
311	L	29	Very low	29.9	Very low	159 Å²	159	143.9 Å²	143.9	83%	0.832	78%	0.775	S	S	*	*	S	Bend	trans	-142	138.8	145.3	-84.1	-174.5	0	0	0	110.3
312	L	32.4	Very low	29.9	Very low	176 Å²	176	148 Å²	148	92%	0.921	78%	0.78	S	S	*	*			trans	74.3	123	176.2	-51.7	175.5	0	0	0	116.6
313	A	31	Very low	29.8	Very low	94 Å²	94	151.7 Å²	151.7	78%	0.777	78%	0.783	S	S	*	*			trans	-101.5	-166.8	176.7	0	0	0	0	0	109.4
314	P	35.2	Very low	29.9	Very low	112 Å²	112	151 Å²	151	73%	0.727	79%	0.789	S	S	*	*			cis	-140.2	-173.5	-3.3	39.2	-19	0	0	0	116.3
315	S	31.5	Very low	29.7	Very low	95 Å²	95	150 Å²	150	66%	0.664	79%	0.787	S	S	*	*			trans	108.4	146	135.1	78.6	0	0	0	0	122.6
316	Y	31.3	Very low	29.7	Very low	226 Å²	226	152.3 Å²	152.3	89%	0.886	79%	0.793	S	S	*	*			trans	73.7	140.6	164	-69.2	-75.1	0	0	0	123.1
317	G	32	Very low	29.6	Very low	64 Å²	64	149 Å²	149	66%	0.66	79%	0.789	S	S	*	*			trans	68.4	88	163.3	0	0	0	0	0	117.3
318	V	29.3	Very low	29.9	Very low	132 Å²	132	150.7 Å²	150.7	80%	0.8	78%	0.783	S	S	*	*				58.7	125.8	50.8	-153.4	0	0	0	0	115
319	R	30	Very low	29.7	Very low	217 Å²	217	152.8 Å²	152.8	82%	0.819	78%	0.783	S	S	*	*			trans	87.3	142.2	167.7	-50.1	-173.4	-173.5	-168.9	1.3	116.5
320	R	28.3	Very low	29.7	Very low	206 Å²	206	156.4 Å²	156.4	78%	0.777	79%	0.788	S	S	*	*			cis	-171.4	153.9	-16.6	-117.5	-179.1	-175.3	179	0.5	110.3
321	C	27.9	Very low	29.6	Very low	100 Å²	100	150.3 Å²	150.3	68%	0.676	78%	0.776	S	S	*	*			trans	68.7	156.6	150.4	-64.9	0	0	0	0	118.4
322	R	30.3	Very low	29.4	Very low	226 Å²	226	148.1 Å²	148.1	85%	0.853	78%	0.775	S	S	*	*			cis	-158.9	151.4	-13.8	-120.1	172.2	179.8	-177.8	-1.4	112.4
323	K	26.6	Very low	29	Very low	192 Å²	192	147.5 Å²	147.5	84%	0.835	77%	0.767	S	S	*	*			trans	-7.4	126.6	160.1	-60.9	-172.2	172.9	-166.7	0	120.1
324	A	32	Very low	28.8	Very low	100 Å²	100	153.5 Å²	153.5	83%	0.826	77%	0.771	S	S	*	*				-154.2	126.1	129	0	0	0	0	0	106.6
325	S	26.7	Very low	28.5	Very low	109 Å²	109	154 Å²	154	76%	0.762	77%	0.765	S	S	*	*			cis	88.7	139.7	22.3	-157	0	0	0	0	114.2
326	L	30.7	Very low	28.3	Very low	145 Å²	145	157.5 Å²	157.5	76%	0.759	78%	0.776	S	S	*	*			trans	79.3	118	-152.9	-54.8	158.1	0	0	0	110.4
327	N	26.3	Very low	28.1	Very low	137 Å²	137	151 Å²	151	73%	0.733	77%	0.769	S	S	*	*			cis	63.1	114.6	10.1	-165.1	24.4	0	0	0	116.5
328	W	29.7	Very low	28.2	Very low	213 Å²	213	155 Å²	155	81%	0.807	77%	0.77	S	S	*	*			trans	179.2	120.9	147.2	-92.9	112.4	0	0	0	109.7
329	D	25.4	Very low	28.3	Very low	127 Å²	127	156 Å²	156	68%	0.679	76%	0.764	S	S	*	*			trans	-63.7	150.4	154.4	-47.9	-88.3	0	0	0	109.7
330	Y	27.2	Very low	28.2	Very low	217 Å²	217	153.7 Å²	153.7	85%	0.851	76%	0.76	S	S	*	*			trans	-176.3	160	146	-123.2	-126.4	0	0	0	114.8
331	V	29.2	Very low	28.2	Very low	109 Å²	109	149.3 Å²	149.3	66%	0.661	76%	0.759	S	S	*	*			trans	63.9	90.1	166.5	-168.2	0	0	0	0	118	E333	V331-E333 WeakPolarHBondContact CG1-O 3.02Å
332	S	24.2	Very low	28.1	Very low	114 Å²	114	148.1 Å²	148.1	80%	0.797	76%	0.757	S	S	*	*				-73.3	160.5	126.4	48.8	0	0	0	0	110.4
333	E	25	Very low	28.1	Very low	162 Å²	162	145.4 Å²	145.4	76%	0.757	76%	0.757	S	S	*	*			trans	71	106	-175.7	-54.6	-164.2	147.4	0	0	117.9	V331	V331-E333 WeakPolarHBondContact CG1-O 3.02Å
334	Y	26.6	Very low	28.1	Very low	220 Å²	220	141.1 Å²	141.1	86%	0.863	75%	0.751	S	S	*	*				-159	100.3	129.8	-129.9	-107.5	0	0	0	108.9
335	M	27.8	Very low	28.2	Very low	123 Å²	123	141.5 Å²	141.5	61%	0.606	75%	0.745	S	S	*	*				76.3	96.7	85.2	-72.8	-79.4	-146.4	0	0	115.8
336	L	27.2	Very low	28.3	Very low	168 Å²	168	146.1 Å²	146.1	88%	0.88	75%	0.746	S	S	*	*				47.4	74.8	116.2	-78.6	159	0	0	0	119.5
337	A	27.8	Very low	28.2	Very low	90 Å²	90	146.5 Å²	146.5	74%	0.744	74%	0.744	S	S	*	*			trans	-161.3	128.7	158.9	0	0	0	0	0	112.6
338	Q	34.6	Very low	28.2	Very low	147 Å²	147	144.8 Å²	144.8	69%	0.687	74%	0.741	S	S	*	*			cis	-147.5	149.2	-14.4	-66.2	-162.9	20.5	0	0	110.3
339	K	30.5	Very low	28	Very low	153 Å²	153	141.6 Å²	141.6	67%	0.665	74%	0.739	S	S	*	*			trans	45.4	151.1	133.3	-60.3	171.7	-164.4	158.5	0	120.9
340	K	27.8	Very low	28.2	Very low	170 Å²	170	141 Å²	141	74%	0.739	74%	0.741	S	S	*	*			cis	-168.8	150.1	-16.5	-114.1	-176.3	178.2	-169.5	0	106.8
341	C	27.7	Very low	28.2	Very low	113 Å²	113	141.7 Å²	141.7	76%	0.764	74%	0.742	S	S	*	*			trans	63.2	160	155.2	-61.2	0	0	0	0	118.3
342	A	27	Very low	28.3	Very low	75 Å²	75	140.5 Å²	140.5	62%	0.62	74%	0.738	S	S	*	*			cis	-167.9	168.1	-31.8	0	0	0	0	0	109.3
343	I	30.7	Very low	28.6	Very low	170 Å²	170	142.7 Å²	142.7	87%	0.872	74%	0.736	S	S	*	*			trans	74	125.8	157	-64	151	0	0	0	117.2
344	S	25.4	Very low	28.9	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	73%	0.734	S	S	*	*			trans	-110.9	-172.5	159.9	66.3	0	0	0	0	108.1
345	P	34.7	Very low	29.3	Very low	108 Å²	108	138.3 Å²	138.3	70%	0.701	73%	0.726	S	S	*	*			cis	-132.4	-150	-7.2	27.7	-1.8	0	0	0	111.2
346	R	28.3	Very low	29.5	Very low	206 Å²	206	142.8 Å²	142.8	78%	0.777	74%	0.736	S	S	*	*			trans	90.9	112.5	153.8	-72.6	-179.1	168.9	-171.4	-1.3	121.2
347	Q	28.8	Very low	29.5	Very low	154 Å²	154	140 Å²	140	72%	0.72	73%	0.731	S	S	*	*				81	153.2	120	-69.7	177.9	-57.5	0	0	121.9
348	C	25.7	Very low	29.8	Very low	100 Å²	100	142.3 Å²	142.3	68%	0.676	74%	0.736	S	S	*	*			trans	77.5	92.7	152.1	-71.4	0	0	0	0	120.6
349	L	26.9	Very low	29.6	Very low	146 Å²	146	146.8 Å²	146.8	76%	0.764	75%	0.746	S	S	*	*				77	138.3	110.3	-75.9	168.8	0	0	0	121.4
350	T	28.2	Very low	29.7	Very low	116 Å²	116	143.3 Å²	143.3	71%	0.712	75%	0.754	S	S	*	*			trans	78.3	130.8	147.5	53.8	0	0	0	0	122.1
351	R	29	Very low	29.8	Very low	231 Å²	231	144.4 Å²	144.4	87%	0.872	76%	0.761	S	S	*	*			trans	72.8	149.8	142.3	-76.6	-179.8	163.8	169.3	-4.1	118.7
352	S	30.3	Very low	30.2	Very low	83 Å²	83	143.8 Å²	143.8	58%	0.58	76%	0.756	S	S	*	*			cis	-174.4	148.9	-21.7	47	0	0	0	0	112.8
353	E	31.3	Very low	30.4	Very low	161 Å²	161	149.8 Å²	149.8	75%	0.752	77%	0.768	S	S	*	*			trans	69.4	149	142.9	-79.4	179.4	-130.4	0	0	122.3
354	S	31.6	Very low	30.6	Very low	101 Å²	101	145.7 Å²	145.7	71%	0.706	76%	0.76	S	S	*	*			trans	94.4	137.1	146.9	82	0	0	0	0	119
355	R	33.2	Very low	30.9	Very low	189 Å²	189	147.9 Å²	147.9	71%	0.713	76%	0.764	S	S	*	*			cis	-164.5	140.2	-9.2	-116.5	168.6	-159.9	-173.4	6.2	112.1
356	R	32.4	Very low	30.9	Very low	216 Å²	216	150.6 Å²	150.6	82%	0.815	77%	0.772	S	S	*	*			trans	56	131.7	150.6	-63.5	172	178.9	175.9	-2.3	118.6
357	S	27.4	Very low	30.9	Very low	109 Å²	109	146 Å²	146	76%	0.762	77%	0.77	S	S	*	*			cis	88.9	112.2	32.5	-174.2	0	0	0	0	116
358	V	34.1	Very low	31.4	Very low	139 Å²	139	143.9 Å²	143.9	84%	0.842	77%	0.77	S	S	*	*			trans	-145.2	108.5	148.4	-176.6	0	0	0	0	111.5
359	R	31.3	Very low	31.7	Very low	242 Å²	242	146.2 Å²	146.2	91%	0.913	78%	0.775	S	S	*	*			trans	17	138.6	144.9	-53.4	172.8	-179.5	174.7	-2.2	121.9
360	G	33.1	Very low	31.9	Very low	80 Å²	80	145 Å²	145	83%	0.825	77%	0.774	S	S	*	*			trans	171.5	81.2	156.4	0	0	0	0	0	118.5
361	Q	29.4	Very low	31.8	Very low	192 Å²	192	144.7 Å²	144.7	90%	0.897	78%	0.776	S	S	*	*			trans	-147.4	170.2	167.7	-95.6	-166.6	-9	0	0	107.6
362	P	36.6	Very low	31.9	Very low	101 Å²	101	138.9 Å²	138.9	66%	0.656	77%	0.771	S	S	*	*			cis	-150	-179.6	24.3	44.6	-24.4	0	0	0	119.6
363	K	29.2	Very low	32.1	Very low	201 Å²	201	140.5 Å²	140.5	87%	0.874	78%	0.782	S	S	*	*			trans	71.4	153.8	139.5	-87.6	178.2	177.9	-168.9	0	124.2
364	A	35.3	Very low	32	Very low	84 Å²	84	143.5 Å²	143.5	69%	0.694	79%	0.788	S	S	*	*			trans	73.5	143	160.7	0	0	0	0	0	117.3
365	D	31.9	Very low	32.5	Very low	147 Å²	147	143.3 Å²	143.3	79%	0.786	78%	0.784	S	S	*	*			cis	-162.5	171.3	-13.1	-118	-40.5	0	0	0	111.2
366	L	34.4	Very low	32.4	Very low	165 Å²	165	142.7 Å²	142.7	86%	0.864	79%	0.787	S	S	*	*			trans	68.4	122.3	160.2	-68.8	157.7	0	0	0	121.4
367	S	28.7	Very low	32.4	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	78%	0.783	S	S	*	*			trans	-80.8	-174.8	156.6	-22.8	0	0	0	0	111.3
368	P	40.4	Very low	32.4	Very low	110 Å²	110	140.1 Å²	140.1	71%	0.714	78%	0.78	S	S	*	*			cis	-136.1	-159.5	-5.7	29	-3.2	0	0	0	113.8
369	L	30.8	Very low	32.2	Very low	150 Å²	150	138.8 Å²	138.8	79%	0.785	78%	0.776	S	S	*	*			trans	95.9	99.3	155.7	-62.6	165.7	0	0	0	120.8
370	V	31.3	Very low	32.3	Very low	121 Å²	121	135 Å²	135	73%	0.733	77%	0.769	S	S	*	*				69.5	106	123.1	177.2	0	0	0	0	120.3
371	S	26.2	Very low	32.4	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	76%	0.76	S	S	*	*			trans	47.1	119.1	146.4	71	0	0	0	0	121.9
372	S	30.5	Very low	32.6	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	76%	0.757	S	S	*	*				-169.6	155.9	126.3	49	0	0	0	0	112.9
373	S	35	Very low	32.3	Very low	116 Å²	116	135.8 Å²	135.8	81%	0.811	77%	0.768	S	S	*	*			trans	66.8	118.3	148.6	-56.6	0	0	0	0	123
374	Y	30.3	Very low	32.5	Very low	225 Å²	225	129.9 Å²	129.9	88%	0.882	76%	0.764	S	S	*	*			trans	-58.8	-177	140.4	-78.9	-93.1	0	0	0	112.2
375	P	41.5	Very low	32.6	Very low	96 Å²	96	132.8 Å²	132.8	62%	0.623	77%	0.773	S	S	*	*			cis	-134.3	-162.5	-19.5	17.8	9.9	0	0	0	113.6
376	F	30.1	Very low	32.6	Very low	177 Å²	177	130.1 Å²	130.1	78%	0.776	77%	0.767	S	S	*	*			trans	107.2	141.7	136.6	-88.9	-54.3	0	0	0	124.4
377	I	32.8	Very low	32.6	Very low	141 Å²	141	127.9 Å²	127.9	72%	0.723	76%	0.76	S	S	*	*			trans	84.3	86.8	152	-63.8	153.4	0	0	0	120
378	D	27.7	Very low	32.8	Very low	130 Å²	130	128.5 Å²	128.5	70%	0.695	76%	0.759	S	S	*	*				34.5	147	107.8	-59.4	-64.2	0	0	0	125.4
379	S	30.3	Very low	32.4	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	76%	0.762	S	S	*	*			trans	71	150.8	152.6	66.9	0	0	0	0	118.3
380	E	33.4	Very low	32.4	Very low	164 Å²	164	128.2 Å²	128.2	77%	0.766	76%	0.759	S	S	*	*			cis	-139.6	-155.4	14.3	-60.2	175.9	179.9	0	0	110.8
381	T	34	Very low	32.4	Very low	103 Å²	103	127.8 Å²	127.8	63%	0.632	76%	0.76	S	S	*	*			cis	-153.4	154.9	-5.5	-20	0	0	0	0	112.3
382	E	33.6	Very low	32.7	Very low	178 Å²	178	130.5 Å²	130.5	83%	0.832	77%	0.765	S	S	*	*			trans	31.9	114.9	149.1	-76.7	169.5	-173.6	0	0	126.8
383	A	30	Very low	32.9	Very low	108 Å²	108	129.6 Å²	129.6	89%	0.893	76%	0.759	S	S	*	*				21.4	140.3	126.4	0	0	0	0	0	124.7
384	G	35.1	Very low	32.8	Very low	77 Å²	77	131.6 Å²	131.6	79%	0.794	76%	0.76	S	S	*	*			trans	-166.5	129.3	164.7	0	0	0	0	0	117
385	T	36.7	Very low	33	Very low	144 Å²	144	128 Å²	128	88%	0.883	76%	0.755	S	S	*	*			trans	-51.2	171	169.7	51.6	0	0	0	0	116.7
386	S	32.4	Very low	32.5	Very low	92 Å²	92	133.2 Å²	133.2	64%	0.643	76%	0.762	S	S	*	*			cis	171.6	157.4	-18.5	173.8	0	0	0	0	109.2
387	T	34.9	Very low	32.8	Very low	117 Å²	117	130.3 Å²	130.3	72%	0.718	76%	0.761	S	S	*	*			trans	63.4	100.5	150	38	0	0	0	0	123.3
388	T	32.3	Very low	32.5	Very low	122 Å²	122	129.8 Å²	129.8	75%	0.748	77%	0.768	S	S	*	*				73.7	148	121	-9.3	0	0	0	0	125.1
389	L	32.1	Very low	32.5	Very low	148 Å²	148	134.1 Å²	134.1	78%	0.775	78%	0.782	S	S	*	*			trans	100.5	96.3	148.9	-73.3	169.5	0	0	0	122
390	C	30	Very low	32.4	Very low	106 Å²	106	132.4 Å²	132.4	72%	0.716	78%	0.781	S	S	*	*				71	116.3	120.6	-84	0	0	0	0	124.3
391	C	30.5	Very low	32.1	Very low	111 Å²	111	128.6 Å²	128.6	75%	0.75	78%	0.778	S	S	*	*				96.2	140.6	126.5	-69	0	0	0	0	121.3
392	L	33.4	Very low	31.7	Very low	165 Å²	165	131.3 Å²	131.3	86%	0.864	78%	0.783	S	S	*	*			trans	78.2	134.5	171.8	-51.5	176.4	0	0	0	117
393	S	33.8	Very low	31.4	Very low	92 Å²	92	131.8 Å²	131.8	64%	0.643	78%	0.779	S	S	*	*			cis	-168.2	135.9	-23.7	-119.3	0	0	0	0	113.2
394	L	32.8	Very low	31.2	Very low	158 Å²	158	129.7 Å²	129.7	83%	0.827	77%	0.768	S	S	*	*			trans	72	144	150.7	-60.4	167.6	0	0	0	121.3
395	L	34.9	Very low	30.7	Very low	148 Å²	148	134.3 Å²	134.3	78%	0.775	77%	0.766	S	S	*	*			trans	81.2	120.3	167.9	-50.1	-179.1	0	0	0	117.5
396	R	31.1	Very low	30.3	Very low	206 Å²	206	132.9 Å²	132.9	78%	0.777	76%	0.759	S	S	*	*			cis	-159.3	152.6	-21.6	-128	-179.8	-175.6	167.8	2.9	108
397	P	36.2	Very low	30	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	77%	0.769	S	S	*	*			trans	-96.3	150.3	-163.9	36.5	-33.1	0	0	0	114.7
398	C	27.9	Very low	29.7	Very low	130 Å²	130	134.2 Å²	134.2	88%	0.878	77%	0.765	S	S	*	*			trans	-132.7	148.7	160.1	-74.7	0	0	0	0	109.2
399	F	28	Very low	29.5	Very low	222 Å²	222	138.4 Å²	138.4	97%	0.974	77%	0.773	S	S	*	*			trans	-95.1	159.5	174.1	-103.7	-111.7	0	0	0	110.7
400	G	27.2	Very low	29.3	Very low	74 Å²	74	137.9 Å²	137.9	76%	0.763	78%	0.776	S	S	*	*			trans	101.8	153.1	-178.4	0	0	0	0	0	112.5
401	A	26.7	Very low	29.2	Very low	84 Å²	84	143 Å²	143	69%	0.694	79%	0.786	S	S	*	*			cis	-158.5	-172.5	-4.6	0	0	0	0	0	110.3
402	Q	27.1	Very low	29.1	Very low	159 Å²	159	140.9 Å²	140.9	74%	0.743	78%	0.783	S	S	*	*			trans	68.1	109.9	156.1	-76.1	146.8	-31.9	0	0	119.5
403	Y	25.7	Very low	29	Very low	189 Å²	189	141 Å²	141	74%	0.741	78%	0.781	S	S	*	*			trans	-21.8	162.5	130.3	-69.7	-116.6	0	0	0	116	T92	T92-Y403 HydrophobicContact CG2-CE1 4.49Å; T92-Y403 HydrophobicContact CG2-CE2 4.46Å
404	G	26.5	Very low	28.7	Very low	64 Å²	64	143.9 Å²	143.9	66%	0.66	79%	0.789	S	S	*	*			trans	121	114.7	154.6	0	0	0	0	0	115.6
405	F	25.5	Very low	28.2	Very low	174 Å²	174	141 Å²	141	76%	0.763	78%	0.781	S	S	*	*				169.1	111.9	129.1	-85.2	-54.9	0	0	0	108.1	A408	F405-A408 HydrophobicContact CD1-CB 3.88Å; F405-A408 HydrophobicContact CE1-CB 3.88Å; F405-A408 HydrophobicContact CG-CB 4.36Å; F405-A408 HydrophobicContact CZ-CB 4.34Å
406	P	27.4	Very low	27.8	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	78%	0.784	S	S	*	*	S	Bend		-94.4	173.3	99.7	25.7	-34.9	0	0	0	112.3
407	N	26.2	Very low	27.6	Very low	161 Å²	161	136.7 Å²	136.7	86%	0.861	78%	0.781	S	S	*	*			trans	74.5	49.3	174.7	-54.6	-20.4	0	0	0	117.4
408	A	28.2	Very low	27.1	Very low	76 Å²	76	136.6 Å²	136.6	63%	0.628	78%	0.783	S	S	*	*			trans	-116.1	94.8	160.5	0	0	0	0	0	111.6	F405	F405-A408 HydrophobicContact CD1-CB 3.88Å; F405-A408 HydrophobicContact CE1-CB 3.88Å; F405-A408 HydrophobicContact CG-CB 4.36Å; F405-A408 HydrophobicContact CZ-CB 4.34Å
409	K	28.6	Very low	27.1	Very low	210 Å²	210	134.6 Å²	134.6	91%	0.913	78%	0.776	S	S	*	*			trans	-142.3	49	170.2	-127.5	-175.4	-172.7	-177.6	0	113.4
410	V	28.3	Very low	27.1	Very low	137 Å²	137	132.7 Å²	132.7	83%	0.83	77%	0.767	S	S	*	*			trans	-128	105.6	172.7	-179.1	0	0	0	0	110.5
411	F	27.9	Very low	27	Very low	215 Å²	215	137 Å²	137	94%	0.943	77%	0.767	S	S	*	*			trans	172.3	131.9	162.2	-100.9	-67.8	0	0	0	105.8
412	G	28.2	Very low	27.1	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	78%	0.777	S	S	*	*			cis	-158.2	-163.5	-10.8	0	0	0	0	0	106.3
413	M	30.5	Very low	27	Very low	166 Å²	166	145.4 Å²	145.4	82%	0.818	78%	0.782	S	S	*	*			cis	-162.5	162.4	14.2	-56.5	179	179.5	0	0	108.8
414	L	27.5	Very low	27.2	Very low	154 Å²	154	146.1 Å²	146.1	81%	0.806	79%	0.79	S	S	*	*			trans	59.2	145.1	152.7	-63.5	160.1	0	0	0	118.1
415	C	23.8	Very low	27	Very low	97 Å²	97	146.6 Å²	146.6	66%	0.655	78%	0.783	S	S	*	*			cis	167.5	136	-20.8	-113.2	0	0	0	0	106.3
416	L	24.7	Very low	27.1	Very low	161 Å²	161	145.9 Å²	145.9	84%	0.843	78%	0.782	S	S	*	*			trans	74	151.3	149.1	-62.6	165.2	0	0	0	121.4
417	S	27.6	Very low	27	Very low	103 Å²	103	146.9 Å²	146.9	72%	0.72	78%	0.777	S	S	*	*			trans	69.4	88.9	161.8	53.7	0	0	0	0	119.6
418	S	25.4	Very low	27	Very low	114 Å²	114	148.5 Å²	148.5	80%	0.797	77%	0.771	S	S	*	*				30.8	129.6	115.9	64.1	0	0	0	0	119.7
419	A	28.4	Very low	26.7	Very low	87 Å²	87	150.8 Å²	150.8	72%	0.719	78%	0.781	S	S	*	*				170.2	149.7	96.3	0	0	0	0	0	113.6
420	K	28	Very low	26.7	Very low	182 Å²	182	147.6 Å²	147.6	79%	0.791	78%	0.779	S	S	*	*			trans	67.4	108.3	157.6	-69.4	176.8	177	-168.7	0	119.5
421	E	25.3	Very low	26.7	Very low	166 Å²	166	147.8 Å²	147.8	78%	0.776	78%	0.775	S	S	*	*				24.7	121	104.4	-55.6	171.3	109.3	0	0	117.1
422	E	29.3	Very low	26.6	Very low	193 Å²	193	142.5 Å²	142.5	90%	0.902	77%	0.765	S	S	*	*				-158.3	148.4	103	-112.3	170	-158.2	0	0	112.3
423	R	23.1	Very low	26.5	Very low	225 Å²	225	147.4 Å²	147.4	85%	0.849	77%	0.77	S	S	*	*			trans	-80.2	151.4	177.8	-54	163	-175.8	155	2	109.1
424	F	30	Very low	26.5	Very low	204 Å²	204	151.1 Å²	151.1	90%	0.895	78%	0.775	S	S	*	*			trans	-147.9	150.1	133.7	-112.1	-75	0	0	0	111.5
425	S	23.3	Very low	26.5	Very low	75 Å²	75	152.5 Å²	152.5	52%	0.524	78%	0.782	S	S	.	*			trans	-112.1	-178.8	-174.6	49.8	0	0	0	0	111.4
426	E	27.1	Very low	26.7	Very low	158 Å²	158	151 Å²	151	74%	0.738	78%	0.783	S	S	*	*			trans	71.1	147.2	158.3	-76.4	154	-119.3	0	0	116.9
427	E	25	Very low	27.1	Very low	134 Å²	134	147.8 Å²	147.8	63%	0.626	77%	0.772	S	S	*	*			cis	-165.7	178.2	-16.8	-133.4	-176.3	-178.3	0	0	110.7
428	R	25.7	Very low	27.3	Very low	196 Å²	196	152.9 Å²	152.9	74%	0.74	78%	0.784	S	S	*	*			trans	68.6	96.2	152.7	-78.7	170.7	-107.6	159.5	-0	120.8
429	C	22.7	Very low	27.2	Very low	124 Å²	124	155.9 Å²	155.9	84%	0.838	79%	0.788	S	S	*	*				34	125	114.8	-46.9	0	0	0	0	121.4
430	V	28.9	Very low	27.1	Very low	143 Å²	143	162.5 Å²	162.5	87%	0.867	79%	0.794	S	S	*	*				-140.4	153.5	126.4	177.3	0	0	0	0	109.5
431	D	28.4	Very low	27.2	Very low	140 Å²	140	162.7 Å²	162.7	75%	0.749	80%	0.798	S	S	*	*			trans	-67.5	137.1	-161	-61.5	-83.8	0	0	0	121.8
432	S	25.1	Very low	27.2	Very low	105 Å²	105	165 Å²	165	73%	0.734	81%	0.806	S	S	*	*				74.9	167.9	122.6	78.8	0	0	0	0	124.1
433	E	27.2	Very low	27	Very low	169 Å²	169	160.1 Å²	160.1	79%	0.79	80%	0.798	S	S	*	*			trans	58.9	72.2	169.9	-63.8	-161.1	-173.4	0	0	120.4
434	R	30.5	Very low	27.3	Very low	244 Å²	244	157.8 Å²	157.8	92%	0.921	80%	0.802	S	S	*	*				177.4	127	102.6	-94.3	163.7	-176.1	-164.8	-0.3	111.9
435	L	26.1	Very low	27.2	Very low	183 Å²	183	156.2 Å²	156.2	96%	0.958	79%	0.794	S	S	*	*			trans	-138.7	123.4	-177.9	-149.4	158.8	0	0	0	111.1
436	G	28.6	Very low	27.5	Very low	64 Å²	64	162.3 Å²	162.3	66%	0.66	81%	0.807	S	S	*	*			trans	106.5	162.2	163.2	0	0	0	0	0	116.8
437	P	33.2	Very low	27.7	Very low	94 Å²	94	160.7 Å²	160.7	61%	0.61	81%	0.811	S	S	*	*			cis	-130.5	111	2.6	35.8	-16.5	0	0	0	114.4	M439 R440	P437-M439 PolarHBondContact O-N 2.03Å; P437-R440 HydrophobicContact CG-CB 4.48Å
438	Q	31.1	Very low	27.8	Very low	211 Å²	211	163.3 Å²	163.3	99%	0.986	82%	0.823	S	S	*	*	S	Bend	trans	-73.4	18.8	160.8	-80.1	-177	-31	0	0	113.2
439	M	25.2	Very low	28	Very low	176 Å²	176	163 Å²	163	87%	0.867	83%	0.83	S	S	*	*	S	Bend	trans	-141	63.2	173.7	-77.3	-170	164.6	0	0	110.6	P437	P437-M439 PolarHBondContact O-N 2.03Å
440	R	26	Very low	28.3	Very low	226 Å²	226	164.8 Å²	164.8	85%	0.853	83%	0.831	S	S	*	*			trans	-170.7	81.5	161	-110.7	169	-164.5	-169.6	5.3	113.2	P437	P437-R440 HydrophobicContact CG-CB 4.48Å
441	Q	29.5	Very low	28.3	Very low	186 Å²	186	169.5 Å²	169.5	87%	0.869	83%	0.833	S	S	*	*			trans	-145.2	36.4	159.2	-130.3	174.7	14.8	0	0	115.3
442	F	25.8	Very low	28.5	Very low	215 Å²	215	168.5 Å²	168.5	94%	0.943	84%	0.835	S	S	*	*			trans	-70.5	138.8	145.5	-101.7	-99.4	0	0	0	108.5
443	A	25.6	Very low	28.7	Very low	90 Å²	90	168 Å²	168	74%	0.744	82%	0.823	S	S	*	*			trans	109.5	40.1	174.7	0	0	0	0	0	119.2
444	L	28	Very low	28.7	Very low	176 Å²	176	167.6 Å²	167.6	92%	0.921	83%	0.832	S	S	*	*			trans	-129.4	48.3	145.1	-80.5	-180	0	0	0	111
445	K	28.3	Very low	28.5	Very low	171 Å²	171	160.5 Å²	160.5	74%	0.743	82%	0.82	S	S	*	*	S	Bend	trans	-125.4	108.3	177	-164.4	167.8	-175.9	170.2	0	109.5
446	Y	29.7	Very low	28.6	Very low	204 Å²	204	159.3 Å²	159.3	80%	0.8	81%	0.807	S	S	*	*	S	Bend	trans	63.6	144.7	-173.6	-59.8	-77.4	0	0	0	117.4
447	P	30.5	Very low	28.9	Very low	124 Å²	124	165.1 Å²	165.1	81%	0.805	82%	0.817	S	S	*	*			trans	-75.1	133.5	174.6	30.6	-33.5	0	0	0	111.8	Q449	P447-Q449 PolarHBondContact O-N 3.33Å
448	Q	28.5	Very low	28.7	Very low	189 Å²	189	168.1 Å²	168.1	88%	0.883	83%	0.826	S	S	*	*			trans	-83.7	91.4	174	-80	-89.6	-27.2	0	0	111
449	Q	29.5	Very low	28.5	Very low	188 Å²	188	163.9 Å²	163.9	88%	0.879	82%	0.817	S	S	*	*			trans	-173.5	84.5	150.8	-107.2	160.3	17.5	0	0	112.3	P447	P447-Q449 PolarHBondContact O-N 3.33Å
450	D	29.4	Very low	28.6	Very low	162 Å²	162	163.6 Å²	163.6	87%	0.866	81%	0.811	S	S	*	*				-168.5	137.4	118.9	-110.1	-23.8	0	0	0	112
451	R	28.6	Very low	28.5	Very low	242 Å²	242	161.7 Å²	161.7	91%	0.913	82%	0.816	S	S	*	*			trans	-139.3	121	173.3	-99.2	-166.2	179	-171.8	1.6	109.8
452	P	31.5	Very low	28.4	Very low	120 Å²	120	157 Å²	157	78%	0.779	81%	0.805	S	S	*	*			trans	-105.3	109.3	152.6	-4.2	24.7	0	0	0	111.6	V454	P452-V454 PolarHBondContact O-N 3.21Å
453	D	30.5	Very low	28.4	Very low	93 Å²	93	157.9 Å²	157.9	50%	0.497	80%	0.801	S	S	.	*			trans	52.3	56.9	137.3	-141.5	25.2	0	0	0	120.4	S455 K456	D453-S455 PolarHBondContact O-N 3.02Å; D453-S455 WeakPolarHBondContact OD1-CB 3.25Å; D453-K456 IonicContact OD2-NZ 2.89Å; D453-K456 PolarHBondContact OD2-NZ 2.92Å
454	V	27.4	Very low	28.4	Very low	161 Å²	161	160.5 Å²	160.5	98%	0.976	80%	0.802	S	S	*	*	S	Bend	trans	-71.3	64	155.2	-171.1	0	0	0	0	109.7	P452	P452-V454 PolarHBondContact O-N 3.21Å
455	S	25.9	Very low	28.3	Very low	95 Å²	95	160 Å²	160	66%	0.664	79%	0.793	S	S	*	*			trans	-146.5	17.5	-175.1	-155.2	0	0	0	0	113.8	D453	D453-S455 PolarHBondContact O-N 3.02Å; D453-S455 WeakPolarHBondContact OD1-CB 3.25Å
456	K	28.1	Very low	28.3	Very low	159 Å²	159	158.2 Å²	158.2	69%	0.691	79%	0.787	S	S	*	*	S	Bend	trans	-139.6	76.2	176.5	-78.2	167	-172	130.7	0	112.2	D453	D453-K456 IonicContact OD2-NZ 2.89Å; D453-K456 PolarHBondContact OD2-NZ 2.92Å
457	H	34	Very low	28.3	Very low	185 Å²	185	155.1 Å²	155.1	86%	0.856	78%	0.784	S	S	*	*			trans	-172.6	62.3	141.7	-96	-59.4	0	0	0	111.5
458	I	28.8	Very low	28.4	Very low	158 Å²	158	155.9 Å²	155.9	81%	0.81	78%	0.781	S	S	*	*			trans	-113.1	100.9	166.6	-60.8	175.4	0	0	0	109.8	K460	I458-K460 VanDerWaalsContact C-N 3.31Å; I458-K460 PolarHBondContact O-N 3.3Å; I458-K460 VanDerWaalsContact O-N 3.11Å
459	P	28.4	Very low	28.5	Very low	122 Å²	122	155.7 Å²	155.7	79%	0.792	78%	0.781	S	S	*	*			trans	-82.8	73.4	167.8	-10.7	29.7	0	0	0	111.5
460	K	27.3	Very low	28.5	Very low	170 Å²	170	154.4 Å²	154.4	74%	0.739	77%	0.774	S	S	*	*			trans	20.9	101.7	153.1	-62.2	171	-178.1	172.1	0	117.5	I458 S462	I458-K460 VanDerWaalsContact C-N 3.31Å; I458-K460 PolarHBondContact O-N 3.3Å; I458-K460 VanDerWaalsContact O-N 3.11Å; K460-S462 VanDerWaalsContact C-N 3.31Å; K460-S462 PolarHBondContact O-N 2.95Å
461	L	24.3	Very low	28.4	Very low	185 Å²	185	157.5 Å²	157.5	97%	0.969	77%	0.774	S	S	*	*			trans	-61	89.9	154.6	-104.2	161.9	0	0	0	109.6
462	S	25.8	Very low	28.2	Very low	89 Å²	89	156.2 Å²	156.2	62%	0.622	77%	0.771	S	S	*	*			trans	-158.4	92.4	-176	-75.6	0	0	0	0	114.4	K460	K460-S462 VanDerWaalsContact C-N 3.31Å; K460-S462 PolarHBondContact O-N 2.95Å
463	R	25.9	Very low	28.1	Very low	232 Å²	232	157.8 Å²	157.8	88%	0.875	77%	0.772	S	S	*	*			trans	71.1	124.6	149.1	-60	-178.2	178.6	-173.5	-0.5	119.8
464	L	25.5	Very low	27.8	Very low	145 Å²	145	159 Å²	159	76%	0.759	78%	0.783	S	S	*	*			trans	83.2	118	141.3	-66.7	161.7	0	0	0	120.6
465	K	26.8	Very low	27.7	Very low	167 Å²	167	158 Å²	158	73%	0.726	77%	0.769	S	S	*	*			trans	73.3	150.8	149.1	-58.9	169.8	156.4	-90.2	0	118
466	E	28.5	Very low	27.6	Very low	132 Å²	132	160.2 Å²	160.2	62%	0.617	77%	0.773	S	S	*	*			cis	-162.5	133.8	-23.6	-113.3	167.1	125.7	0	0	108.2
467	N	28.9	Very low	27.4	Very low	139 Å²	139	158.2 Å²	158.2	74%	0.743	77%	0.774	S	S	*	*			trans	72.2	168	161.1	-52.6	-24.6	0	0	0	121.2
468	D	32.9	Very low	26.9	Very low	140 Å²	140	154.6 Å²	154.6	75%	0.749	77%	0.768	S	S	*	*			trans	63.3	102.2	-178.9	-55.9	0	0	0	0	114.8
469	E	30.1	Very low	26.7	Very low	186 Å²	186	156.3 Å²	156.3	87%	0.869	77%	0.77	S	S	*	*			cis	73.7	133.1	49.7	-56.2	-163.7	145.7	0	0	114.1
470	E	29.9	Very low	26.6	Very low	160 Å²	160	155.9 Å²	155.9	75%	0.748	75%	0.753	S	S	*	*			cis	-128.6	175.4	10.9	-63.7	-165.5	123.9	0	0	114.9
471	R	27.2	Very low	26.9	Very low	227 Å²	227	151.7 Å²	151.7	86%	0.857	74%	0.743	S	S	*	*	S	Bend	trans	75	44.8	159.2	-59.9	-163.7	-177.4	-156.3	-1.6	119.3
472	Y	24.9	Very low	27	Very low	215 Å²	215	146 Å²	146	84%	0.843	71%	0.711	S	S	*	*	S	Bend	trans	-129.6	140.9	136.7	-126.4	-85.6	0	0	0	109.2
473	L	30	Very low	27.1	Very low	154 Å²	154	148 Å²	148	81%	0.806	71%	0.714	S	S	*	*			trans	59.1	147.2	170.6	-75.9	147.3	0	0	0	118.6
474	T	24.5	Very low	27.1	Very low	119 Å²	119	143.1 Å²	143.1	73%	0.73	70%	0.696	S	S	*	*			trans	159.8	133.6	139.7	-79.6	0	0	0	0	111.8
475	M	23.8	Very low	27.2	Very low	140 Å²	140	142.5 Å²	142.5	69%	0.69	69%	0.687	S	S	*	*			cis	-158.2	136.1	-21.4	-102.9	-163.6	-100.3	0	0	109.7
476	L	24.9	Very low	27.7	Very low	140 Å²	140	139.5 Å²	139.5	73%	0.733	69%	0.685	S	S	*	*			trans	60.2	157.2	130.9	-60.7	177.8	0	0	0	124.7
477	T	23.3	Very low	28	Very low	118 Å²	118	138.4 Å²	138.4	72%	0.724	69%	0.689	S	S	*	*			trans	80.2	87.2	142.9	38.2	0	0	0	0	121.5
478	C	22.8	Very low	28.1	Very low	108 Å²	108	137.5 Å²	137.5	73%	0.73	69%	0.689	S	S	*	*				39.3	104.3	104.8	-55.3	0	0	0	0	120
479	K	25	Very low	28	Very low	195 Å²	195	136.3 Å²	136.3	85%	0.848	69%	0.686	S	S	*	*				175.2	112.6	121.4	-92.9	158.6	-176.6	178.5	0	109.3
480	R	27.1	Very low	27.8	Very low	113 Å²	113	134.9 Å²	134.9	43%	0.426	69%	0.685	S	S	.	*				66.5	143.7	72.1	-68.4	166.2	137.3	-91.4	-29.3	114.7	C617 T618	R480-C617 VanDerWaalsContact NH1-C 3.34Å; R480-C617 PolarHBondContact NH1-O 2.99Å; R480-C617 PolarHBondContact NH2-SG 2.04Å; R480-T618 PolarHBondContact NH1-O 3.41Å; R480-T618 VanDerWaalsContact NH2-N 3.2Å; R480-T618 PolarHBondContact NH2-OG1 2.85Å
481	P	33.7	Very low	27.8	Very low	82 Å²	82	133.3 Å²	133.3	53%	0.532	69%	0.691	S	S	.	*			cis	-151.4	166.7	-27.7	41.3	-21.8	0	0	0	117.6	C617	P481-C617 HydrophobicContact CB-CB 3.88Å; P481-C617 HydrophobicContact CG-CB 4.12Å
482	Q	25.9	Very low	27.7	Very low	66 Å²	66	126 Å²	126	31%	0.308	69%	0.686	S	S	.	*			trans	85.4	170.2	151.9	-37.1	-55.5	-142.5	0	0	122.2	V614 V615 G616 C617	Q482-V614 HydrophobicContact CB-CG1 4.16Å; Q482-V615 VanDerWaalsContact CB-O 3.22Å; Q482-V615 WeakPolarHBondContact CB-O 3.49Å; Q482-V615 VanDerWaalsContact CD-O 3.3Å; Q482-V615 WeakPolarHBondContact CG-O 3.33Å; Q482-V615 PolarHBondContact OE1-O 3.11Å; Q482-G616 PolarHBondContact OE1-O 3.21Å; Q482-C617 PolarHBondContact OE1-SG 3.25Å
483	L	27.1	Very low	27.9	Very low	130 Å²	130	127.8 Å²	127.8	68%	0.681	69%	0.692	S	S	*	*			trans	88.1	142.2	171.7	-45.8	175.8	0	0	0	117.1
484	R	26	Very low	27.6	Very low	130 Å²	130	131 Å²	131	49%	0.491	69%	0.694	S	S	.	*			cis	-162.5	57.7	-20.6	-115.7	-157.9	137.2	73.5	172	116.7	N612 S613 V614	R484-N612 PolarHBondContact NE-O 3.23Å; R484-N612 PolarHBondContact NH1-O 2.8Å; R484-S613 WeakPolarHBondContact CA-OG 3.37Å; R484-S613 VanDerWaalsContact CB-OG 3.27Å; R484-S613 WeakPolarHBondContact CB-OG 3Å; R484-S613 WeakPolarHBondContact CD-OG 3.39Å; R484-S613 WeakPolarHBondContact CG-OG 3.02Å; R484-S613 PolarHBondContact NE-OG 2.88Å; R484-S613 VanDerWaalsContact NH1-N 3.16Å; R484-S613 PolarHBondContact NH1-O 2.04Å; R484-S613 PolarHBondContact NH2-O 3.48Å; R484-S613 VanDerWaalsContact NH2-O 3.15Å; R484-S613 WeakPolarHBondContact O-CB 3.36Å; R484-S613 PolarHBondContact O-OG 3.39Å; R484-V614 HydrophobicContact CG-CB 4.27Å; R484-V614 PolarHBondContact NH2-O 3.34Å
485	K	28.3	Very low	27.6	Very low	131 Å²	131	130 Å²	130	57%	0.57	69%	0.692	S	S	*	*			trans	83.1	159.8	169.6	-97.5	-155.5	-113	-175.8	0	120.7	N612 S613	K485-N612 VanDerWaalsContact CB-OD1 3.22Å; K485-N612 WeakPolarHBondContact CB-OD1 3.33Å; K485-N612 VanDerWaalsContact CD-OD1 3.25Å; K485-N612 WeakPolarHBondContact CD-OD1 3.48Å; K485-N612 WeakPolarHBondContact CE-OD1 3.4Å; K485-S613 VanDerWaalsContact CB-CB 3.47Å; K485-S613 VanDerWaalsContact CG-CB 3.46Å
486	P	38	Very low	27.7	Very low	105 Å²	105	131.1 Å²	131.1	68%	0.682	70%	0.695	S	S	*	*			trans	-105.5	-165.6	-174.9	45.8	-37.6	0	0	0	113.5
487	P	34.6	Very low	27.7	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	70%	0.697	S	S	*	*				-156.1	-176.1	80.7	42.1	-20.4	0	0	0	118.9
488	T	31.1	Very low	27.8	Very low	120 Å²	120	131.2 Å²	131.2	74%	0.736	70%	0.695	S	S	*	*			trans	71.6	97.6	151.4	43.2	0	0	0	0	124.1
489	T	29.2	Very low	28.1	Very low	114 Å²	114	132 Å²	132	70%	0.699	69%	0.691	S	S	*	*				58	119.4	121	57.5	0	0	0	0	124.4
490	N	27.5	Very low	28.1	Very low	157 Å²	157	125 Å²	125	84%	0.84	67%	0.667	S	S	*	*				52.8	138.5	129.9	-56.6	8.7	0	0	0	120.2
491	S	28.3	Very low	28.1	Very low	126 Å²	126	126.2 Å²	126.2	88%	0.881	67%	0.673	S	S	*	*			cis	-156.9	158.5	22.4	51	0	0	0	0	113.2
492	G	26.4	Very low	27.7	Very low	73 Å²	73	128 Å²	128	75%	0.753	68%	0.676	S	S	*	*			trans	149.4	166.9	160.7	0	0	0	0	0	116.8
493	R	28.1	Very low	27.9	Very low	254 Å²	254	131.4 Å²	131.4	96%	0.958	70%	0.7	S	S	*	*			trans	96.3	145.4	171.8	-61.5	-174.3	175.1	-169.8	-1	119.8
494	Y	25	Very low	27.9	Very low	220 Å²	220	132.6 Å²	132.6	86%	0.863	71%	0.707	S	S	*	*			trans	-48.7	161.4	161.1	-84.6	-107.7	0	0	0	116.9
495	C	23.8	Very low	28.1	Very low	100 Å²	100	132.2 Å²	132.2	68%	0.676	72%	0.719	S	S	*	*			trans	71.9	113.5	145.7	-71.1	0	0	0	0	121.7
496	Q	25.3	Very low	28.1	Very low	163 Å²	163	128.7 Å²	128.7	76%	0.762	72%	0.72	S	S	*	*				60.1	123.9	106.9	-152.7	179.1	8.4	0	0	119.8
497	L	24.8	Very low	27.8	Very low	146 Å²	146	132.3 Å²	132.3	76%	0.764	73%	0.734	S	S	*	*			trans	69.3	126.5	164	-69.9	157.4	0	0	0	116.5
498	V	25.6	Very low	27.5	Very low	114 Å²	114	130.3 Å²	130.3	69%	0.691	73%	0.733	S	S	*	*			cis	-154.6	150.2	-1.9	-142.3	0	0	0	0	111.1
499	L	28.9	Very low	27.4	Very low	124 Å²	124	133.5 Å²	133.5	65%	0.649	74%	0.742	S	S	*	*			trans	66	125.6	140.8	-143.9	144	0	0	0	120.2	Q640 H641 S642	L499-Q640 CarbonylContact C-O 3.49Å; L499-Q640 VanDerWaalsContact O-O 3.13Å; L499-H641 VanDerWaalsContact C-C 3.44Å; L499-H641 CarbonylContact C-O 3.56Å; L499-H641 VanDerWaalsContact O-O 3.04Å; L499-S642 CarbonylContact C-O 3.59Å; L499-S642 WeakPolarHBondContact CA-O 3.42Å; L499-S642 PolarHBondContact N-O 2.81Å; L499-S642 VanDerWaalsContact N-O 3.16Å
500	S	25.8	Very low	27.3	Very low	49 Å²	49	134.6 Å²	134.6	34%	0.343	74%	0.743	S	S	.	*			cis	-164.2	126.6	-27.1	46.5	0	0	0	0	110.8	Q640 H641 S642	S500-Q640 CarbonylContact C-O 3.52Å; S500-Q640 PolarHBondContact N-O 2.73Å; S500-Q640 CarbonylContact O-C 3.55Å; S500-H641 PolarHBondContact N-O 2.7Å; S500-H641 VanDerWaalsContact N-O 3.12Å; S500-H641 PolarHBondContact O-N 2.71Å; S500-S642 VanDerWaalsContact CA-N 3.26Å; S500-S642 VanDerWaalsContact CA-O 3.32Å; S500-S642 WeakPolarHBondContact CA-O 3.39Å
501	Y	26.3	Very low	27.1	Very low	137 Å²	137	132.9 Å²	132.9	54%	0.537	74%	0.738	S	S	.	*			trans	127.3	154.6	-176.2	-77.5	-69.3	0	0	0	119.4	D638 H641 S642	Y501-D638 WeakPolarHBondContact CD2-OD1 2.99Å; Y501-D638 WeakPolarHBondContact CE2-OD1 3.29Å; Y501-D638 VanDerWaalsContact CZ-OD1 3.3Å; Y501-H641 CarbonylContact O-C 3.59Å; Y501-H641 VanDerWaalsContact O-CA 3.24Å; Y501-H641 WeakPolarHBondContact O-CA 3.06Å; Y501-H641 PolarHBondContact O-N 3.11Å; Y501-S642 PolarHBondContact O-N 2.81Å
502	M	25.3	Very low	27.1	Very low	121 Å²	121	133.1 Å²	133.1	60%	0.596	73%	0.734	S	S	*	*			trans	67.4	117.1	160.7	-67.6	-176.8	-171.4	0	0	126.8	P639	M502-P639 HydrophobicContact CE-CB 4.5Å
503	V	29.8	Very low	27.2	Very low	137 Å²	137	137.2 Å²	137.2	83%	0.83	74%	0.738	S	S	*	*			trans	58.5	105.5	135.1	-165.5	0	0	0	0	125.7
504	D	27	Very low	27.4	Very low	154 Å²	154	130 Å²	130	82%	0.824	72%	0.724	S	S	*	*				37	163.2	128.5	-148.4	24.6	0	0	0	128
505	V	31.7	Very low	27.4	Very low	122 Å²	122	126.5 Å²	126.5	74%	0.739	72%	0.715	S	S	*	*			trans	104.3	91.9	159.2	-167.3	0	0	0	0	119.1
506	G	28.1	Very low	27.6	Very low	58 Å²	58	130.9 Å²	130.9	60%	0.598	72%	0.719	S	S	*	*				91.3	106.6	117.6	0	0	0	0	0	121.3
507	N	32.4	Very low	27.7	Very low	181 Å²	181	127.3 Å²	127.3	97%	0.968	71%	0.712	S	S	*	*				165.6	148.1	121.3	-86	-38.7	0	0	0	112.2
508	G	27.3	Very low	27.9	Very low	66 Å²	66	126.6 Å²	126.6	68%	0.68	71%	0.714	S	S	*	*			trans	-152.9	173.4	173.9	0	0	0	0	0	112.7
509	M	29.4	Very low	27.9	Very low	188 Å²	188	124.6 Å²	124.6	93%	0.926	71%	0.709	S	S	*	*			trans	161.3	164.2	160	-94.9	-167.4	-59.4	0	0	109.4
510	D	26.1	Very low	28	Very low	137 Å²	137	126.8 Å²	126.8	73%	0.733	72%	0.72	S	S	*	*				-170.1	159.4	-50.5	-158.1	-8.8	0	0	0	108.1
511	V	24.8	Very low	28	Very low	120 Å²	120	127.6 Å²	127.6	73%	0.727	74%	0.736	S	S	*	*			trans	59	159.4	168.3	-117.3	0	0	0	0	116.5
512	V	27.8	Very low	28.2	Very low	132 Å²	132	130.3 Å²	130.3	80%	0.8	75%	0.753	S	S	*	*			cis	-141.7	156.9	4.5	-155.8	0	0	0	0	110.9
513	L	27.2	Very low	28.5	Very low	158 Å²	158	129.6 Å²	129.6	83%	0.827	76%	0.758	S	S	*	*			trans	-71.1	-176.6	159.8	-70.2	167.9	0	0	0	111.7
514	P	32.3	Very low	28.5	Very low	104 Å²	104	130.1 Å²	130.1	68%	0.675	75%	0.754	S	S	*	*			cis	-137.1	179.6	5.9	36.1	-13.7	0	0	0	117.3
515	E	26	Very low	28.4	Very low	145 Å²	145	129.3 Å²	129.3	68%	0.678	75%	0.75	S	S	*	*			trans	21	137.7	142.5	-54.1	174.7	159.7	0	0	120.1
516	Y	28.7	Very low	28.2	Very low	193 Å²	193	128.3 Å²	128.3	76%	0.757	75%	0.749	S	S	*	*				-165	148.2	71.6	-107.3	-90.6	0	0	0	114.7
517	S	26.5	Very low	28.1	Very low	87 Å²	87	131 Å²	131	61%	0.608	76%	0.758	S	S	*	*			trans	1	145.9	150.6	70.5	0	0	0	0	120.4
518	T	28.2	Very low	27.9	Very low	132 Å²	132	125.7 Å²	125.7	81%	0.81	75%	0.746	S	S	*	*				179.6	170.7	62.2	31.1	0	0	0	0	108.6
519	A	27.1	Very low	27.8	Very low	71 Å²	71	130.9 Å²	130.9	59%	0.587	75%	0.75	S	S	*	*			cis	178.2	164	-28.3	0	0	0	0	0	107.2
520	I	29.5	Very low	27.7	Very low	170 Å²	170	128.5 Å²	128.5	87%	0.872	74%	0.735	S	S	*	*			trans	68.2	148	167.3	-57.3	150.4	0	0	0	113.1
521	G	25.7	Very low	27.7	Very low	66 Å²	66	132.1 Å²	132.1	68%	0.68	74%	0.739	S	S	*	*			cis	130.6	128.1	0.2	0	0	0	0	0	111.2
522	Q	30.6	Very low	27.8	Very low	194 Å²	194	130 Å²	130	91%	0.907	73%	0.729	S	S	*	*			trans	-65.6	164.4	167.3	-90.4	-172.5	-14.7	0	0	110.9
523	P	33	Very low	27.9	Very low	106 Å²	106	132.2 Å²	132.2	69%	0.688	73%	0.73	S	S	*	*			cis	-141.8	-163.1	29.3	33.7	-9	0	0	0	115.3
524	I	28.5	Very low	28	Very low	148 Å²	148	127.5 Å²	127.5	76%	0.759	72%	0.72	S	S	*	*			trans	144.4	121	136.5	-72.8	161.7	0	0	0	113.7
525	D	25.6	Very low	27.9	Very low	138 Å²	138	130.8 Å²	130.8	74%	0.738	73%	0.726	S	S	*	*			trans	27.7	133.1	150.7	-73.4	-62.1	0	0	0	126.7
526	S	27.1	Very low	27.8	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	73%	0.73	S	S	*	*				91.7	121.4	122.3	72.4	0	0	0	0	123.7
527	S	26.7	Very low	27.8	Very low	113 Å²	113	130 Å²	130	79%	0.79	73%	0.729	S	S	*	*			trans	61.1	116	130.5	66.4	0	0	0	0	123
528	G	28.2	Very low	27.9	Very low	70 Å²	70	136.5 Å²	136.5	72%	0.722	74%	0.74	S	S	*	*			trans	85.3	168.7	142.1	0	0	0	0	0	117.2
529	F	25.3	Very low	27.9	Very low	175 Å²	175	136.1 Å²	136.1	77%	0.768	74%	0.737	S	S	*	*			cis	-164.2	166.8	-21.8	-139	-76.7	0	0	0	108.5
530	F	26.4	Very low	27.9	Very low	139 Å²	139	142.5 Å²	142.5	61%	0.61	75%	0.751	S	S	*	*			trans	70	110.9	158.3	-73.8	-58.7	0	0	0	120.6
531	R	25.5	Very low	28.7	Very low	213 Å²	213	139.7 Å²	139.7	80%	0.804	74%	0.744	S	S	*	*				55.1	150.6	113.3	-79.6	-170.8	-168.8	165.1	0.2	120.2
532	S	28.2	Very low	29	Very low	74 Å²	74	142.3 Å²	142.3	52%	0.517	75%	0.747	S	S	.	*			cis	172.1	160.5	-9.7	50.2	0	0	0	0	110
533	H	29.3	Very low	29.1	Very low	180 Å²	180	142 Å²	142	83%	0.833	74%	0.743	S	S	*	*			trans	66.5	147.9	166.8	-52.7	-67.4	0	0	0	116.1
534	G	28.9	Very low	29.1	Very low	59 Å²	59	144.2 Å²	144.2	61%	0.608	75%	0.748	S	S	*	*			cis	163	-175.8	-6	0	0	0	0	0	111.8
535	H	30	Very low	29.4	Very low	173 Å²	173	141.3 Å²	141.3	80%	0.801	75%	0.746	S	S	*	*			trans	68	154.1	169.8	-68.6	-83.2	0	0	0	117.6
536	F	25.4	Very low	29.5	Very low	173 Å²	173	139.4 Å²	139.4	76%	0.759	74%	0.743	S	S	*	*			cis	-170.5	-176.4	-32	-140.2	-105.1	0	0	0	107.6
537	M	28.2	Very low	29.9	Very low	149 Å²	149	145.5 Å²	145.5	73%	0.734	75%	0.751	S	S	*	*			trans	79.5	149.1	164.3	-52.3	-146.5	-148.3	0	0	118.6
538	R	27.8	Very low	30	Very low	222 Å²	222	145.2 Å²	145.2	84%	0.838	75%	0.749	S	S	*	*			cis	-158.1	162.6	-27.4	-120.4	174.7	-177.9	166.3	0.1	111.5
539	V	29.3	Very low	30.2	Very low	125 Å²	125	146.6 Å²	146.6	76%	0.758	75%	0.754	S	S	*	*			trans	-96.3	143.3	-176	-178.1	0	0	0	0	112.3
540	K	27.1	Very low	30.4	Very low	204 Å²	204	142.4 Å²	142.4	89%	0.887	75%	0.752	S	S	*	*				176.7	142.5	124.6	-97.8	173.8	-177.1	-175.5	0	116.9
541	P	45.6	Very low	30.6	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	76%	0.757	S	S	*	*			trans	-116.7	173.7	171.5	42.5	-34	0	0	0	113.9
542	T	32.9	Very low	30.9	Very low	121 Å²	121	138 Å²	138	74%	0.742	76%	0.76	S	S	*	*			trans	-165.2	127.8	157.8	36.2	0	0	0	0	116.6
543	K	32	Very low	31.1	Very low	187 Å²	187	138.1 Å²	138.1	81%	0.813	77%	0.772	S	S	*	*			trans	62.3	164.4	133.2	-57.6	-179.3	178.8	-178.7	0	119.3
544	L	33.3	Very low	31.2	Very low	154 Å²	154	133.4 Å²	133.4	81%	0.806	77%	0.773	S	S	*	*			cis	-145	149.1	16.9	-107.7	107.2	0	0	0	113.2
545	A	33.7	Very low	31.2	Very low	86 Å²	86	136.2 Å²	136.2	71%	0.711	78%	0.783	S	S	*	*			trans	45.5	153.3	131.1	0	0	0	0	0	123.5
546	S	28.9	Very low	31.2	Very low	98 Å²	98	138.9 Å²	138.9	69%	0.685	79%	0.786	S	S	*	*			cis	-179	172.8	-15.1	56.6	0	0	0	0	112.2
547	R	34.9	Very low	31.4	Very low	230 Å²	230	140.4 Å²	140.4	87%	0.868	79%	0.787	S	S	*	*			trans	86.9	122.8	166.9	-66.1	-179.8	176.2	-173.5	-3.5	115.9
548	S	29.1	Very low	31.5	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	79%	0.785	S	S	*	*				82.2	135.7	50.7	81.5	0	0	0	0	113.3
549	A	32.7	Very low	31.5	Very low	100 Å²	100	137.7 Å²	137.7	83%	0.826	79%	0.786	S	S	*	*			cis	-154.1	-163.3	13.8	0	0	0	0	0	113.5
550	A	30.2	Very low	31.6	Very low	87 Å²	87	135.3 Å²	135.3	72%	0.719	79%	0.787	S	S	*	*			trans	-67.2	-175.5	-177.1	0	0	0	0	0	114.5
551	T	30.7	Very low	31.8	Very low	118 Å²	118	130.6 Å²	130.6	72%	0.724	78%	0.78	S	S	*	*			cis	-170.2	158	34.3	-22.9	0	0	0	0	112.8
552	T	31.6	Very low	31	Very low	142 Å²	142	137.5 Å²	137.5	87%	0.871	79%	0.792	S	S	*	*			trans	58.6	150	156.9	45	0	0	0	0	120.2
553	G	31.4	Very low	31	Very low	75 Å²	75	135.5 Å²	135.5	77%	0.773	80%	0.795	S	S	*	*			cis	160.6	154.6	-6.3	0	0	0	0	0	113.3
554	G	32.5	Very low	30.8	Very low	82 Å²	82	133 Å²	133	85%	0.845	80%	0.796	S	S	*	*			trans	90.9	132.6	176.7	0	0	0	0	0	114.3
555	S	27.7	Very low	30.8	Very low	118 Å²	118	133.6 Å²	133.6	83%	0.825	80%	0.799	S	S	*	*			cis	105.9	93.3	10.3	-166.2	0	0	0	0	116.6
556	R	31.3	Very low	30.6	Very low	228 Å²	228	135.3 Å²	135.3	86%	0.86	80%	0.8	S	S	*	*			trans	-175.6	137.4	138.3	-99.3	171.3	-179.3	-164.4	-2.2	107.4
557	R	28.1	Very low	30.9	Very low	206 Å²	206	135.6 Å²	135.6	78%	0.777	80%	0.8	S	S	*	*				57.5	139.9	79.6	-57.3	-152.1	-168.4	-177.5	-3	113
558	E	31.2	Very low	30.5	Very low	148 Å²	148	130.9 Å²	130.9	69%	0.692	79%	0.79	S	S	*	*			cis	-150.6	176.9	20.4	-136	143.2	-136.7	0	0	112.7
559	L	27.8	Very low	30.5	Very low	165 Å²	165	134.4 Å²	134.4	86%	0.864	80%	0.797	S	S	*	*			trans	-67.4	153.7	177.7	-75.4	69.5	0	0	0	112.5
560	G	31.9	Very low	30.2	Very low	76 Å²	76	134.2 Å²	134.2	78%	0.784	79%	0.79	S	S	*	*			trans	-153.1	141.4	163.7	0	0	0	0	0	110.3
561	S	30.1	Very low	30.1	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	79%	0.785	S	S	*	*			trans	-144	151.8	-166.8	-56.1	0	0	0	0	114.2
562	R	29.7	Very low	29.9	Very low	257 Å²	257	135.5 Å²	135.5	97%	0.97	79%	0.787	S	S	*	*			trans	68.2	144.9	169.3	-62.6	176	169.4	174.8	-5	116.4
563	G	32.6	Very low	29.9	Very low	79 Å²	79	136.5 Å²	136.5	81%	0.814	78%	0.781	S	S	*	*			trans	167.3	74.8	178.8	0	0	0	0	0	112.8
564	T	28.1	Very low	29.8	Very low	134 Å²	134	136.9 Å²	136.9	82%	0.822	77%	0.772	S	S	*	*			trans	-73	142.6	178.3	-40.9	0	0	0	0	111.7
565	L	32.7	Very low	29.8	Very low	167 Å²	167	142.8 Å²	142.8	87%	0.874	77%	0.771	S	S	*	*			trans	-176.8	153.5	138.7	-100.6	161.1	0	0	0	113.1
566	V	29.5	Very low	29.8	Very low	122 Å²	122	144.4 Å²	144.4	74%	0.739	77%	0.765	S	S	*	*			trans	-158.1	160.8	-171.5	170.2	0	0	0	0	105.5
567	P	35.7	Very low	29.9	Very low	104 Å²	104	139.5 Å²	139.5	68%	0.675	77%	0.766	S	S	*	*			cis	-122.4	-155.4	-8.1	23.8	1.4	0	0	0	113.1
568	I	26.4	Very low	30	Very low	131 Å²	131	138.3 Å²	138.3	67%	0.672	77%	0.769	S	S	*	*			trans	129.2	117.1	137.3	-69.6	161.1	0	0	0	117.2
569	M	29.3	Very low	30	Very low	179 Å²	179	138.1 Å²	138.1	88%	0.882	78%	0.778	S	S	*	*			trans	58.4	169.8	154.1	-69.8	168.1	-169.7	0	0	120.2
570	S	25	Very low	29.9	Very low	97 Å²	97	138.1 Å²	138.1	68%	0.678	77%	0.773	S	S	*	*			cis	-173.2	148.1	-39.1	-179.5	0	0	0	0	111.1
571	S	28.5	Very low	29.9	Very low	89 Å²	89	141.1 Å²	141.1	62%	0.622	78%	0.776	S	S	*	*			trans	56.5	118.7	147.8	54.9	0	0	0	0	123.9
572	N	27.8	Very low	29.7	Very low	142 Å²	142	147.4 Å²	147.4	76%	0.759	78%	0.784	S	S	*	*				90.8	150.1	125.3	-65.4	13.7	0	0	0	124.7
573	H	31.5	Very low	30	Very low	163 Å²	163	140.9 Å²	140.9	76%	0.755	78%	0.775	S	S	*	*			trans	83.1	90.9	155.5	-72.1	-59.6	0	0	0	123.3
574	S	28.5	Very low	29.9	Very low	83 Å²	83	146.1 Å²	146.1	58%	0.58	78%	0.775	S	S	*	*				30.5	134.9	114.1	60.9	0	0	0	0	122
575	Y	31.8	Very low	30.2	Very low	206 Å²	206	145.2 Å²	145.2	81%	0.808	77%	0.771	S	S	*	*				-166.8	164.3	119.1	-125.4	-103.4	0	0	0	115.9
576	Q	29.2	Very low	30	Very low	153 Å²	153	142.9 Å²	142.9	72%	0.715	76%	0.764	S	S	*	*			trans	-65.2	165.2	-165.7	-55	166.9	-19.4	0	0	119.6
577	S	32.3	Very low	30	Very low	125 Å²	125	146.3 Å²	146.3	87%	0.874	77%	0.769	S	S	*	*				-174.2	165.4	110.7	40.9	0	0	0	0	114.1
578	Q	30	Very low	30.1	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	77%	0.766	S	S	*	*			trans	-110.6	168.1	-164.7	-57.6	176.5	-17.7	0	0	114.4
579	V	32.4	Very low	30.1	Very low	144 Å²	144	147.8 Å²	147.8	87%	0.873	77%	0.772	S	S	*	*				-167.1	153.9	126.1	137.1	0	0	0	0	111.4
580	Q	25.4	Very low	30	Very low	166 Å²	166	143.5 Å²	143.5	78%	0.776	77%	0.765	S	S	*	*			trans	-97.2	165.7	-174.5	-58.8	178.1	-14.3	0	0	114
581	V	31	Very low	30.1	Very low	138 Å²	138	149.3 Å²	149.3	84%	0.836	77%	0.772	S	S	*	*				174.8	146.8	121.2	151.2	0	0	0	0	112.1
582	R	27.2	Very low	30	Very low	236 Å²	236	153.3 Å²	153.3	89%	0.891	78%	0.783	S	S	*	*			trans	-127.5	172.6	170.4	-67.9	-161.8	-165.1	-161.3	9.9	108
583	P	34.3	Very low	30	Very low	120 Å²	120	154 Å²	154	78%	0.779	78%	0.781	S	S	*	*			cis	-149.7	-161.1	23.3	43.9	-20.4	0	0	0	117.9
584	K	30.9	Very low	30	Very low	190 Å²	190	152 Å²	152	83%	0.826	78%	0.781	S	S	*	*			trans	-36.1	172.2	160.5	-62.8	-179.4	173.6	-178.6	0	115.7
585	P	35.6	Very low	30	Very low	114 Å²	114	153.4 Å²	153.4	74%	0.74	79%	0.79	S	S	*	*			cis	-151.4	-160.4	27.8	32.9	-4.9	0	0	0	118.8
586	V	28.9	Very low	30.1	Very low	119 Å²	119	147.7 Å²	147.7	72%	0.721	79%	0.786	S	S	*	*			trans	99.2	106.9	152.9	-161.5	0	0	0	0	120.1
587	F	27.9	Very low	30.1	Very low	194 Å²	194	144.8 Å²	144.8	85%	0.851	79%	0.788	S	S	*	*				17.4	172.5	117.1	-80.2	-62.1	0	0	0	122.3
588	P	39	Very low	29.9	Very low	92 Å²	92	148.4 Å²	148.4	60%	0.597	78%	0.782	S	S	*	*			cis	-142.4	-174.4	-20.1	34.8	-13.3	0	0	0	116.8
589	H	26.2	Very low	29.9	Very low	173 Å²	173	144.2 Å²	144.2	80%	0.801	77%	0.769	S	S	*	*			trans	81.5	149.5	137.5	-95	-62.6	0	0	0	124
590	A	26.7	Very low	29.9	Very low	89 Å²	89	146 Å²	146	74%	0.736	76%	0.76	S	S	*	*			trans	76.1	151.1	153.5	0	0	0	0	0	118.8
591	R	27	Very low	30.1	Very low	219 Å²	219	147.9 Å²	147.9	83%	0.826	76%	0.76	S	S	*	*			cis	179.3	173.7	-34.4	-120.4	-176	-178.9	-179.5	1.6	107.6
592	M	27.5	Very low	30.2	Very low	173 Å²	173	148.6 Å²	148.6	85%	0.852	75%	0.754	S	S	*	*			trans	89.7	148	161.2	-53	-171.1	101.7	0	0	119.2
593	H	27.9	Very low	30.3	Very low	156 Å²	156	141.9 Å²	141.9	72%	0.722	74%	0.743	S	S	*	*			cis	-174.8	-178.4	-39.7	-122.8	-85.3	0	0	0	108.9
594	V	29.5	Very low	30.2	Very low	123 Å²	123	140.8 Å²	140.8	75%	0.745	74%	0.744	S	S	*	*			trans	74.3	101	166.2	-165.1	0	0	0	0	113.8
595	S	30	Very low	30.2	Very low	112 Å²	112	136.4 Å²	136.4	78%	0.783	74%	0.737	S	S	*	*				79.2	153.3	59.3	87	0	0	0	0	114.3
596	A	32.3	Very low	30	Very low	86 Å²	86	135 Å²	135	71%	0.711	73%	0.73	S	S	*	*			cis	-160	171.7	16.5	0	0	0	0	0	114.8
597	A	30.4	Very low	30.1	Very low	92 Å²	92	137.1 Å²	137.1	76%	0.76	73%	0.732	S	S	*	*			trans	68.2	154.9	150.7	0	0	0	0	0	118.7
598	W	27.6	Very low	30.3	Very low	200 Å²	200	134.3 Å²	134.3	76%	0.758	73%	0.726	S	S	*	*			cis	-154	125.2	-2.3	-139.4	57.1	0	0	0	107
599	V	29.6	Very low	30.2	Very low	92 Å²	92	135.2 Å²	135.2	56%	0.558	73%	0.732	S	S	*	*				102.3	140.8	73.7	152.9	0	0	0	0	115
600	R	32.7	Very low	30.5	Very low	182 Å²	182	134.4 Å²	134.4	69%	0.687	73%	0.732	S	S	*	*			trans	89.2	114.5	176	-68.8	159.3	-149.1	-129.8	3.8	115.2
601	R	29.4	Very low	30.7	Very low	206 Å²	206	133.8 Å²	133.8	78%	0.777	72%	0.722	S	S	*	*				80.5	137	70.4	-77.4	179.3	-171.1	-157	9.4	110.7
602	H	32.9	Very low	30.9	Very low	153 Å²	153	127 Å²	127	71%	0.708	70%	0.702	S	S	*	*			cis	-156.5	171.6	14.2	-98.7	-44.4	0	0	0	107.9
603	S	30.2	Very low	31.1	Very low	94 Å²	94	120 Å²	120	66%	0.657	67%	0.67	S	S	*	*			cis	-176.7	148.5	-12.3	48.2	0	0	0	0	111.2
604	A	32.2	Very low	31.4	Very low	98 Å²	98	115 Å²	115	81%	0.81	65%	0.651	S	S	*	*			trans	63.1	154.4	155.6	0	0	0	0	0	117.8
605	S	30.7	Very low	31.6	Very low	97 Å²	97	114.5 Å²	114.5	68%	0.678	65%	0.647	S	S	*	*			cis	-159.8	129.7	-12.9	32.3	0	0	0	0	105.8
606	S	30.6	Very low	31.7	Very low	84 Å²	84	112.1 Å²	112.1	59%	0.587	64%	0.641	S	S	*	*				56.9	139.1	75.9	73.4	0	0	0	0	112.8
607	E	32.3	Very low	31.6	Very low	164 Å²	164	111 Å²	111	77%	0.766	63%	0.627	S	S	*	*			cis	-147.3	175.6	30.5	-98.8	112.6	-110.1	0	0	112
608	N	31	Very low	31.9	Very low	136 Å²	136	111.3 Å²	111.3	73%	0.727	62%	0.62	S	S	*	*			cis	-172.6	146.5	-44.3	-121	-24.7	0	0	0	108.7
609	P	37.8	Very low	32.1	Very low	110 Å²	110	107 Å²	107	71%	0.714	62%	0.616	S	S	*	*			trans	-95.1	161.3	175.1	37.2	-33.8	0	0	0	113.3
610	I	31.7	Very low	32	Very low	156 Å²	156	107.9 Å²	107.9	80%	0.8	63%	0.625	S	S	*	*			trans	-129.1	116	159.4	-59.5	-176.1	0	0	0	105.2
611	S	31.3	Very low	32	Very low	76 Å²	76	106.1 Å²	106.1	53%	0.531	63%	0.628	S	S	.	*				59.3	146.1	82.3	132.6	0	0	0	0	112.9
612	N	32	Very low	31.9	Very low	78 Å²	78	102.4 Å²	102.4	42%	0.417	62%	0.622	S	S	.	*			cis	-165.3	141.2	-9.4	-107.9	-1.6	0	0	0	107	R484 K485	R484-N612 PolarHBondContact NE-O 3.23Å; R484-N612 PolarHBondContact NH1-O 2.8Å; K485-N612 VanDerWaalsContact CB-OD1 3.22Å; K485-N612 WeakPolarHBondContact CB-OD1 3.33Å; K485-N612 VanDerWaalsContact CD-OD1 3.25Å; K485-N612 WeakPolarHBondContact CD-OD1 3.48Å; K485-N612 WeakPolarHBondContact CE-OD1 3.4Å
613	S	31.2	Very low	31.5	Very low	25 Å²	25	102.4 Å²	102.4	18%	0.175	62%	0.622	C	S	.	*			cis	171.9	-168.7	3.4	32.6	0	0	0	0	106.7	R484 K485 V615	R484-S613 WeakPolarHBondContact CA-OG 3.37Å; R484-S613 VanDerWaalsContact CB-OG 3.27Å; R484-S613 WeakPolarHBondContact CB-OG 3Å; R484-S613 WeakPolarHBondContact CD-OG 3.39Å; R484-S613 WeakPolarHBondContact CG-OG 3.02Å; R484-S613 PolarHBondContact NE-OG 2.88Å; R484-S613 VanDerWaalsContact NH1-N 3.16Å; R484-S613 PolarHBondContact NH1-O 2.04Å; R484-S613 PolarHBondContact NH2-O 3.48Å; R484-S613 VanDerWaalsContact NH2-O 3.15Å; R484-S613 WeakPolarHBondContact O-CB 3.36Å; R484-S613 PolarHBondContact O-OG 3.39Å; K485-S613 VanDerWaalsContact CB-CB 3.47Å; K485-S613 VanDerWaalsContact CG-CB 3.46Å; S613-V615 PolarHBondContact O-N 2.99Å
614	V	33.8	Very low	31.3	Very low	52 Å²	52	108.5 Å²	108.5	32%	0.315	63%	0.631	S	S	.	*			trans	4.7	100.8	167.7	-169.7	0	0	0	0	115.8	Q482 R484	Q482-V614 HydrophobicContact CB-CG1 4.16Å; R484-V614 HydrophobicContact CG-CB 4.27Å; R484-V614 PolarHBondContact NH2-O 3.34Å
615	V	33.7	Very low	31.1	Very low	111 Å²	111	107 Å²	107	67%	0.673	62%	0.619	S	S	*	*				62.5	143.5	88.9	141.6	0	0	0	0	112.4	Q482 S613	Q482-V615 VanDerWaalsContact CB-O 3.22Å; Q482-V615 WeakPolarHBondContact CB-O 3.49Å; Q482-V615 VanDerWaalsContact CD-O 3.3Å; Q482-V615 WeakPolarHBondContact CG-O 3.33Å; Q482-V615 PolarHBondContact OE1-O 3.11Å; S613-V615 PolarHBondContact O-N 2.99Å
616	G	31.7	Very low	30.9	Very low	63 Å²	63	112 Å²	112	65%	0.649	63%	0.629	S	S	*	*			cis	146	-130.9	20.1	0	0	0	0	0	111.3	Q482	Q482-G616 PolarHBondContact OE1-O 3.21Å
617	C	31.3	Very low	30.7	Very low	61 Å²	61	111.8 Å²	111.8	41%	0.412	63%	0.627	S	S	.	*			trans	75.7	96.9	164.2	-92.5	0	0	0	0	122.7	R480 P481 Q482	R480-C617 VanDerWaalsContact NH1-C 3.34Å; R480-C617 PolarHBondContact NH1-O 2.99Å; R480-C617 PolarHBondContact NH2-SG 2.04Å; P481-C617 HydrophobicContact CB-CB 3.88Å; P481-C617 HydrophobicContact CG-CB 4.12Å; Q482-C617 PolarHBondContact OE1-SG 3.25Å
618	T	35.4	Very low	30.5	Very low	100 Å²	100	114 Å²	114	61%	0.613	63%	0.63	S	S	*	*			trans	6.1	169.1	155.7	90.7	0	0	0	0	122.9	R480	R480-T618 PolarHBondContact NH1-O 3.41Å; R480-T618 VanDerWaalsContact NH2-N 3.2Å; R480-T618 PolarHBondContact NH2-OG1 2.85Å
619	T	32.6	Very low	30.3	Very low	109 Å²	109	113.9 Å²	113.9	67%	0.669	63%	0.629	S	S	*	*			cis	-161.6	170.6	32.2	-16	0	0	0	0	112.1
620	C	28.6	Very low	29.8	Very low	111 Å²	111	111.5 Å²	111.5	75%	0.75	62%	0.619	S	S	*	*			trans	76.5	146.5	175.7	-49	0	0	0	0	112.7
621	L	31.8	Very low	29.6	Very low	145 Å²	145	114.1 Å²	114.1	76%	0.759	62%	0.62	S	S	*	*			cis	-142.6	144.3	20.8	-75.2	164.3	0	0	0	113.3
622	I	27.5	Very low	29.5	Very low	127 Å²	127	118.9 Å²	118.9	65%	0.651	64%	0.638	S	S	*	*			trans	66.6	140.5	132.2	-63.7	173.4	0	0	0	121.1
623	Q	25.2	Very low	29.2	Very low	153 Å²	153	125.9 Å²	125.9	72%	0.715	66%	0.659	S	S	*	*			trans	68.7	151.2	160.7	-83.5	164.5	-43	0	0	118.4
624	W	25.6	Very low	29.3	Very low	222 Å²	222	130 Å²	130	84%	0.841	69%	0.685	S	S	*	*			cis	-164.8	141.4	-25.9	-130	29.9	0	0	0	109.6
625	A	27.1	Very low	28.9	Very low	66 Å²	66	131.1 Å²	131.1	55%	0.545	70%	0.695	S	S	.	*			trans	56.5	160.1	150.2	0	0	0	0	0	120.6
626	F	26.1	Very low	28.5	Very low	204 Å²	204	132.3 Å²	132.3	90%	0.895	70%	0.698	S	S	*	*			trans	61.9	146.6	158.1	-65.1	-54.8	0	0	0	118
627	S	27	Very low	28.4	Very low	78 Å²	78	138.5 Å²	138.5	55%	0.545	71%	0.707	S	S	.	*			cis	-176.6	133.1	-9.2	177.9	0	0	0	0	108.1
628	Y	28	Very low	28.5	Very low	211 Å²	211	138.6 Å²	138.6	83%	0.827	70%	0.704	S	S	*	*			trans	64	155.8	153.1	-71	-146.5	0	0	0	115.2
629	D	26.2	Very low	28.3	Very low	134 Å²	134	137.8 Å²	137.8	72%	0.717	70%	0.7	S	S	*	*			cis	-144.3	-179.9	-2.2	-135.4	-22.2	0	0	0	113.1
630	A	27.9	Very low	28.2	Very low	59 Å²	59	138.3 Å²	138.3	49%	0.488	70%	0.695	S	S	.	*			trans	-45.5	165.3	165.6	0	0	0	0	0	114.6
631	Y	28.6	Very low	28.3	Very low	211 Å²	211	137.3 Å²	137.3	83%	0.827	68%	0.679	S	S	*	*			cis	-123	173.9	19.8	-87.6	-91.2	0	0	0	114.7	W633	Y631-W633 PolarHBondContact O-N 2.8Å
632	L	28.9	Very low	28.1	Very low	176 Å²	176	132.8 Å²	132.8	92%	0.921	66%	0.66	S	S	*	*			trans	-48.6	129.4	-160.8	-80.8	160.7	0	0	0	113.8
633	W	25.2	Very low	28.1	Very low	226 Å²	226	132.2 Å²	132.2	86%	0.856	66%	0.662	S	S	*	*			trans	-93.8	150.4	-168.8	-108.4	38.4	0	0	0	112.9	Y631	Y631-W633 PolarHBondContact O-N 2.8Å
634	P	32.7	Very low	28.1	Very low	110 Å²	110	134.3 Å²	134.3	71%	0.714	67%	0.669	S	S	*	*			trans	-84.1	-138.6	164.5	39.9	-36.6	0	0	0	108.8
635	S	26.6	Very low	28.1	Very low	76 Å²	76	128.3 Å²	128.3	53%	0.531	67%	0.667	S	S	.	*			trans	76.6	144.9	173.4	84.9	0	0	0	0	114.8
636	N	25.6	Very low	28	Very low	137 Å²	137	129.4 Å²	129.4	73%	0.733	68%	0.676	S	S	*	*			cis	168.6	174.8	-19	-96.8	-31.8	0	0	0	103.7
637	F	28.5	Very low	28	Very low	192 Å²	192	127.3 Å²	127.3	84%	0.842	67%	0.669	S	S	*	*			trans	72.7	76.5	163.4	-65.7	-71.2	0	0	0	118.9
638	D	34.4	Very low	27.9	Very low	64 Å²	64	128.5 Å²	128.5	34%	0.342	66%	0.662	S	S	.	*				-10.7	143.1	101.5	-152.8	48.1	0	0	0	115.3	Y501	Y501-D638 WeakPolarHBondContact CD2-OD1 2.99Å; Y501-D638 WeakPolarHBondContact CE2-OD1 3.29Å; Y501-D638 VanDerWaalsContact CZ-OD1 3.3Å
639	P	31.2	Very low	27.8	Very low	83 Å²	83	126.9 Å²	126.9	54%	0.539	66%	0.66	S	S	.	*			cis	-152.3	174	47.5	32.7	-6.6	0	0	0	119.2	M502	M502-P639 HydrophobicContact CE-CB 4.5Å
640	Q	30.2	Very low	27.8	Very low	120 Å²	120	122.9 Å²	122.9	56%	0.561	65%	0.65	S	S	*	*				155.2	120	111.1	-78.5	-151.9	22.3	0	0	119	L499 S500	L499-Q640 CarbonylContact C-O 3.49Å; L499-Q640 VanDerWaalsContact O-O 3.13Å; S500-Q640 CarbonylContact C-O 3.52Å; S500-Q640 PolarHBondContact N-O 2.73Å; S500-Q640 CarbonylContact O-C 3.55Å
641	H	31.3	Very low	27.6	Very low	89 Å²	89	124.5 Å²	124.5	41%	0.412	66%	0.657	S	S	.	*			trans	85.5	74.8	142.9	-64.1	102.8	0	0	0	127.9	L499 S500 Y501	L499-H641 VanDerWaalsContact C-C 3.44Å; L499-H641 CarbonylContact C-O 3.56Å; L499-H641 VanDerWaalsContact O-O 3.04Å; S500-H641 PolarHBondContact N-O 2.7Å; S500-H641 VanDerWaalsContact N-O 3.12Å; S500-H641 PolarHBondContact O-N 2.71Å; Y501-H641 CarbonylContact O-C 3.59Å; Y501-H641 VanDerWaalsContact O-CA 3.24Å; Y501-H641 WeakPolarHBondContact O-CA 3.06Å; Y501-H641 PolarHBondContact O-N 3.11Å
642	S	26.5	Very low	27.4	Very low	51 Å²	51	121.9 Å²	121.9	36%	0.357	66%	0.655	S	S	.	*			trans	64.9	157.1	153.6	81.2	0	0	0	0	119.4	L499 S500 Y501	L499-S642 CarbonylContact C-O 3.59Å; L499-S642 WeakPolarHBondContact CA-O 3.42Å; L499-S642 PolarHBondContact N-O 2.81Å; L499-S642 VanDerWaalsContact N-O 3.16Å; S500-S642 VanDerWaalsContact CA-N 3.26Å; S500-S642 VanDerWaalsContact CA-O 3.32Å; S500-S642 WeakPolarHBondContact CA-O 3.39Å; Y501-S642 PolarHBondContact O-N 2.81Å
643	T	27.4	Very low	27.3	Very low	114 Å²	114	117.9 Å²	117.9	70%	0.699	64%	0.643	S	S	*	*			cis	-161.5	148.1	-20	14.2	0	0	0	0	110.2
644	K	25	Very low	27.3	Very low	198 Å²	198	116.6 Å²	116.6	86%	0.861	64%	0.639	S	S	*	*				15.8	150.2	125.1	-57.7	-177.4	173.4	-175.9	0	121
645	A	25.3	Very low	27.1	Very low	95 Å²	95	120 Å²	120	79%	0.785	64%	0.638	S	S	*	*			trans	94.3	149.5	137.2	0	0	0	0	0	120.4
646	A	26.3	Very low	27.1	Very low	90 Å²	90	125.4 Å²	125.4	74%	0.744	65%	0.646	S	S	*	*			trans	66.8	121.6	178.3	0	0	0	0	0	115
647	E	24.5	Very low	27.1	Very low	160 Å²	160	124.5 Å²	124.5	75%	0.748	65%	0.651	S	S	*	*			cis	62.7	129.2	44.6	-65.2	-155.1	113.5	0	0	115.4
648	Y	25.3	Very low	27.1	Very low	103 Å²	103	119.5 Å²	119.5	40%	0.404	64%	0.64	S	S	.	*			trans	77.9	109.8	143.4	-80.6	-135	0	0	0	119.7	S741 K742	Y648-S741 VanDerWaalsContact OH-CB 3.27Å; Y648-S741 WeakPolarHBondContact OH-CB 3.15Å; Y648-S741 PolarHBondContact OH-O 3.42Å; Y648-S741 PolarHBondContact OH-OG 2.03Å; Y648-K742 HydrophobicContact CD1-CD 3.85Å; Y648-K742 VanDerWaalsContact CD1-CE 3.42Å; Y648-K742 HydrophobicContact CD2-CB 4.44Å; Y648-K742 HydrophobicContact CD2-CD 3.6Å; Y648-K742 HydrophobicContact CD2-CG 4.31Å; Y648-K742 HydrophobicContact CE1-CD 4.09Å; Y648-K742 HydrophobicContact CE1-CG 4.46Å; Y648-K742 HydrophobicContact CE2-CB 4.16Å; Y648-K742 HydrophobicContact CE2-CD 3.9Å; Y648-K742 HydrophobicContact CE2-CG 4.12Å; Y648-K742 HydrophobicContact CG-CD 3.58Å
649	F	26.6	Very low	26.8	Very low	177 Å²	177	123.2 Å²	123.2	78%	0.776	66%	0.658	S	S	*	*			trans	79.2	152.8	171.3	-52.9	-77.6	0	0	0	114.9
650	G	25.9	Very low	26.6	Very low	50 Å²	50	124 Å²	124	52%	0.515	66%	0.664	S	S	.	*			cis	144.3	91.9	-9.9	0	0	0	0	0	114.4
651	C	23.8	Very low	26.6	Very low	93 Å²	93	123.3 Å²	123.3	63%	0.628	67%	0.673	S	S	*	*			trans	66.4	172.5	169.3	-56.5	0	0	0	0	117.7
652	I	24.7	Very low	26.6	Very low	155 Å²	155	125.8 Å²	125.8	80%	0.795	69%	0.689	S	S	*	*			trans	87.7	81.3	165.7	-49.5	-178.7	0	0	0	117.9
653	S	25.8	Very low	26.8	Very low	93 Å²	93	130.3 Å²	130.3	65%	0.65	71%	0.708	S	S	*	*				73.2	129.1	125.2	80.9	0	0	0	0	124.2
654	Y	26.1	Very low	27	Very low	198 Å²	198	133 Å²	133	78%	0.776	71%	0.71	S	S	*	*			trans	60.6	103.4	133.2	-83.2	-105.3	0	0	0	121.8
655	R	27.8	Very low	27.4	Very low	183 Å²	183	130.1 Å²	130.1	69%	0.691	70%	0.704	S	S	*	*				52.6	124.9	110.4	-168	-160	-93	-157.4	-2.9	118.4
656	W	26.7	Very low	27.6	Very low	188 Å²	188	129.3 Å²	129.3	71%	0.712	70%	0.697	S	S	*	*				169.4	98.4	115	-95	103	0	0	0	114.1
657	S	26.1	Very low	27.9	Very low	119 Å²	119	130.5 Å²	130.5	83%	0.832	70%	0.696	S	S	*	*				-151.7	145.6	122.9	65.7	0	0	0	0	106.5
658	S	29.2	Very low	28.2	Very low	86 Å²	86	131.5 Å²	131.5	60%	0.601	70%	0.698	S	S	*	*	S	Bend	cis	-142.1	144.9	29	-156.6	0	0	0	0	113.7
659	I	27.6	Very low	28.4	Very low	143 Å²	143	133 Å²	133	73%	0.733	71%	0.712	S	S	*	*			trans	43.7	99.3	147.7	-57.6	164.4	0	0	0	118.4
660	C	27.2	Very low	28.7	Very low	99 Å²	99	129.9 Å²	129.9	67%	0.669	71%	0.707	S	S	*	*				177.5	112.7	118.9	-104	0	0	0	0	114.4
661	S	29.6	Very low	28.9	Very low	105 Å²	105	136 Å²	136	73%	0.734	73%	0.725	S	S	*	*			trans	61.1	117.5	147.8	-56.9	0	0	0	0	123.4
662	N	31.4	Very low	29.4	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	72%	0.724	S	S	*	*			trans	87.1	90.1	137.5	-61.6	-13.7	0	0	0	123.4
663	L	30.3	Very low	29.7	Very low	145 Å²	145	136.6 Å²	136.6	76%	0.759	72%	0.721	S	S	*	*				71.6	129.8	120.2	-87.7	73.3	0	0	0	123.3
664	F	32.4	Very low	30.1	Very low	170 Å²	170	138 Å²	138	75%	0.746	73%	0.728	S	S	*	*			trans	87.4	98.6	142.7	-86.5	-128.3	0	0	0	121.7
665	L	33	Very low	30.1	Very low	139 Å²	139	131.6 Å²	131.6	73%	0.728	72%	0.722	S	S	*	*				49.9	118.6	121.7	-62.6	167.4	0	0	0	118.8
666	A	29.9	Very low	30.1	Very low	78 Å²	78	134.6 Å²	134.6	65%	0.645	73%	0.734	S	S	*	*				68.6	138.1	68.6	0	0	0	0	0	113
667	T	31.1	Very low	30	Very low	115 Å²	115	130.7 Å²	130.7	71%	0.706	73%	0.734	S	S	*	*			cis	-164	-170.8	10.3	-0.5	0	0	0	0	109.4
668	F	31.1	Very low	30.1	Very low	181 Å²	181	131.1 Å²	131.1	79%	0.794	73%	0.732	S	S	*	*			trans	74.8	150.1	169.9	-61	-98.1	0	0	0	116.6
669	L	29.8	Very low	29.9	Very low	135 Å²	135	138.4 Å²	138.4	71%	0.707	75%	0.746	S	S	*	*			cis	-174	166	-40.6	-117.2	165.2	0	0	0	108
670	T	32.7	Very low	29.9	Very low	110 Å²	110	140.8 Å²	140.8	68%	0.675	75%	0.754	S	S	*	*			trans	60.5	110	157.9	48.8	0	0	0	0	122
671	M	30.2	Very low	29.8	Very low	179 Å²	179	143.7 Å²	143.7	88%	0.882	76%	0.762	S	S	*	*				84.7	152.6	123.6	-78.6	178.8	172.7	0	0	121.3
672	P	34.7	Very low	29.5	Very low	95 Å²	95	144.7 Å²	144.7	62%	0.617	77%	0.768	S	S	*	*				-140.8	-175.9	-124.6	35.8	-12.3	0	0	0	118.4
673	F	30.4	Very low	29.3	Very low	165 Å²	165	143.1 Å²	143.1	72%	0.724	77%	0.765	S	S	*	*			trans	70.1	162.3	167.1	-61.2	-67.1	0	0	0	117.5
674	P	34.1	Very low	29.1	Very low	123 Å²	123	148.3 Å²	148.3	80%	0.799	78%	0.775	S	S	*	*				-138.9	167	-53.3	39.1	-24.6	0	0	0	114.3
675	G	27.8	Very low	28.8	Very low	64 Å²	64	149 Å²	149	66%	0.66	78%	0.78	S	S	*	*			trans	149	130.9	140.8	0	0	0	0	0	121.5
676	W	26.8	Very low	28.6	Very low	245 Å²	245	150.7 Å²	150.7	93%	0.928	79%	0.789	S	S	*	*			trans	68.3	120	142.3	-68.4	60.9	0	0	0	121.5
677	C	24.1	Very low	28.4	Very low	106 Å²	106	150.9 Å²	150.9	72%	0.716	80%	0.798	S	S	*	*			trans	67.7	146	151.9	-61	0	0	0	0	117.6
678	T	27.8	Very low	28.2	Very low	128 Å²	128	148.2 Å²	148.2	79%	0.785	79%	0.793	S	S	*	*			cis	-156	168	-4.2	1.6	0	0	0	0	110.3
679	R	25.3	Very low	28	Very low	240 Å²	240	148.6 Å²	148.6	91%	0.906	80%	0.797	S	S	*	*			trans	-20.4	122.7	170.6	-65.1	172.9	172.1	172.4	-4.7	116.6
680	Q	28.1	Very low	27.9	Very low	193 Å²	193	150.3 Å²	150.3	90%	0.902	81%	0.807	S	S	*	*			trans	-162.3	166.7	137.4	-118.5	170.9	-8.2	0	0	113
681	L	25.4	Very low	27.8	Very low	160 Å²	160	149.3 Å²	149.3	84%	0.838	81%	0.805	S	S	*	*			trans	-75.8	155.6	-171.6	-53.3	102.3	0	0	0	113.5
682	C	24	Very low	27.7	Very low	125 Å²	125	144.4 Å²	144.4	85%	0.845	78%	0.782	S	S	*	*				-176.1	162.9	122.2	-101.2	0	0	0	0	111.4
683	P	27.2	Very low	27.4	Very low	110 Å²	110	143.9 Å²	143.9	71%	0.714	77%	0.773	S	S	*	*			trans	-90.3	-175.7	-169.2	38.2	-38.3	0	0	0	113.3
684	W	26	Very low	27.2	Very low	254 Å²	254	141.7 Å²	141.7	96%	0.962	76%	0.764	S	S	*	*			trans	-166.4	155	135.4	-103.6	26.2	0	0	0	111
685	E	24.7	Very low	26.9	Very low	184 Å²	184	138.6 Å²	138.6	86%	0.86	75%	0.754	S	S	*	*			trans	-91.3	148.6	-178.2	-56.3	158.8	117.5	0	0	111.8
686	I	29.4	Very low	26.8	Very low	175 Å²	175	141.7 Å²	141.7	90%	0.897	75%	0.75	S	S	*	*			trans	-137.7	119.9	152.8	-59.2	-177.4	0	0	0	106.9
687	G	25.6	Very low	26.9	Very low	81 Å²	81	135.3 Å²	135.3	84%	0.835	74%	0.738	S	S	*	*			trans	-80.4	150.9	-177.2	0	0	0	0	0	113.8
688	G	27.1	Very low	27	Very low	59 Å²	59	134.4 Å²	134.4	61%	0.608	72%	0.724	S	S	*	*			trans	-178.6	107.6	173.5	0	0	0	0	0	107.9
689	E	26.1	Very low	27	Very low	189 Å²	189	135.1 Å²	135.1	88%	0.883	73%	0.731	S	S	*	*	S	Bend	trans	-66.2	149.2	-173.7	-67.6	166.6	140	0	0	110.9
690	N	28.4	Very low	27.4	Very low	172 Å²	172	126.9 Å²	126.9	92%	0.92	72%	0.721	S	S	*	*	S	Bend	trans	64.2	48.8	176.3	-57.4	-11	0	0	0	117.5
691	S	30.1	Very low	27.5	Very low	89 Å²	89	121.6 Å²	121.6	62%	0.622	70%	0.699	S	S	*	*			trans	-141.9	111.8	162.3	59.4	0	0	0	0	114.9	I693	S691-I693 PolarHBondContact O-N 2.77Å
692	N	28.3	Very low	27.9	Very low	75 Å²	75	126.3 Å²	126.3	40%	0.401	71%	0.705	S	S	.	*			trans	-97	74.7	-177.4	-77.5	-25	0	0	0	112.6	R709 S711	N692-R709 HydrophobicContact CB-CB 4.31Å; N692-R709 WeakPolarHBondContact CB-O 3.19Å; N692-R709 PolarHBondContact ND2-O 2.89Å; N692-R709 PolarHBondContact O-N 3.43Å; N692-S711 PolarHBondContact ND2-OG 2.88Å; N692-S711 VanDerWaalsContact ND2-OG 3.16Å
693	I	28.2	Very low	28.4	Very low	85 Å²	85	123.3 Å²	123.3	44%	0.436	68%	0.679	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.9	116.8	178	-55.1	-179.1	0	0	0	110.7	S691 T706 I708 L724	S691-I693 PolarHBondContact O-N 2.77Å; I693-T706 HydrophobicContact CG2-CG2 3.55Å; I693-I708 HydrophobicContact CG1-CG1 4.49Å; I693-L724 HydrophobicContact CD1-CD2 4.49Å
694	F	26.7	Very low	28.4	Very low	118 Å²	118	121.7 Å²	121.7	52%	0.518	67%	0.669	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107	112.9	174.9	-74.9	-89.5	0	0	0	110.3	F696 L707	F694-F696 HydrophobicContact CB-CE2 4.18Å; F694-F696 HydrophobicContact CB-CZ 4.4Å; F694-L707 PolarHBondContact N-O 3.01Å; F694-L707 WeakPolarHBondContact O-CB 3.44Å; F694-L707 PolarHBondContact O-N 2.85Å
695	G	27.8	Very low	28.6	Very low	58 Å²	58	111.2 Å²	111.2	60%	0.598	63%	0.633	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105	116.8	175.8	0	0	0	0	0	111.8
696	F	26	Very low	29	Very low	130 Å²	130	104.8 Å²	104.8	57%	0.57	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.8	122.8	176.3	-60.3	-79.3	0	0	0	110.5	F694 V705 L707	F694-F696 HydrophobicContact CB-CE2 4.18Å; F694-F696 HydrophobicContact CB-CZ 4.4Å; F696-V705 PolarHBondContact N-O 2.9Å; F696-L707 HydrophobicContact CD2-CD1 4.04Å; F696-L707 HydrophobicContact CE2-CD1 3.87Å
697	T	29.1	Very low	28.9	Very low	111 Å²	111	98.9 Å²	98.9	68%	0.681	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.2	122.3	171.4	49.2	0	0	0	0	110.3
698	M	25.1	Very low	29.2	Very low	86 Å²	86	97 Å²	97	42%	0.424	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-83	135.2	178.9	-81.2	-172.4	-88.3	0	0	112.2	G700 V831	M698-G700 VanDerWaalsContact C-N 3.34Å; M698-G700 PolarHBondContact O-N 3.47Å; M698-V831 WeakPolarHBondContact CE-O 3.3Å
699	P	28.2	Very low	29.3	Very low	143 Å²	143	99.9 Å²	99.9	93%	0.929	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	83.6	175.8	31	-34.7	0	0	0	111.1
700	G	33.6	Very low	29.6	Very low	67 Å²	67	92.7 Å²	92.7	69%	0.691	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	168.7	-23.4	171.1	0	0	0	0	0	117.2	M698	M698-G700 VanDerWaalsContact C-N 3.34Å; M698-G700 PolarHBondContact O-N 3.47Å
701	N	31.7	Very low	29.6	Very low	82 Å²	82	87.7 Å²	87.7	44%	0.439	49%	0.487	S	S	.	.	S	Bend	trans	-139.6	152.1	176.8	-79.2	-93.8	0	0	0	110.8	E703 K833	N701-E703 PolarHBondContact O-N 2.73Å; N701-E703 VanDerWaalsContact O-N 3.09Å; N701-K833 PolarHBondContact OD1-NZ 3Å
702	R	33.4	Very low	29.7	Very low	259 Å²	259	91.9 Å²	91.9	98%	0.977	49%	0.494	S	S	*	.	S	Bend	trans	-85.6	48.8	-178.5	-64.6	-178	175.4	-179.5	-3.2	112.5
703	E	33.5	Very low	29.6	Very low	62 Å²	62	91.1 Å²	91.1	29%	0.29	50%	0.495	S	S	.	.			trans	-124.9	117.8	-178.8	-70.1	170.8	144.1	0	0	108.2	N701 K833 Y841	N701-E703 PolarHBondContact O-N 2.73Å; N701-E703 VanDerWaalsContact O-N 3.09Å; E703-K833 IonicContact OE2-NZ 3.86Å; E703-Y841 PolarHBondContact OE1-OH 3.4Å
704	C	28.5	Very low	29.6	Very low	76 Å²	76	97.3 Å²	97.3	51%	0.514	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.7	178.7	-60	0	0	0	0	110.2
705	V	29	Very low	29.8	Very low	34 Å²	34	97.3 Å²	97.3	21%	0.206	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127	168.3	-179.8	0	0	0	0	108.1	F696 L766	F696-V705 PolarHBondContact N-O 2.9Å; V705-L766 HydrophobicContact CG1-CB 4.49Å; V705-L766 HydrophobicContact CG2-CB 4.44Å
706	T	32.6	Very low	29.7	Very low	50 Å²	50	98.5 Å²	98.5	31%	0.307	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.8	177.6	-53.7	0	0	0	0	109	I693 I708 G768	I693-T706 HydrophobicContact CG2-CG2 3.55Å; T706-I708 HydrophobicContact CG2-CG1 4.28Å; T706-G768 PolarHBondContact O-N 3.09Å
707	L	27.9	Very low	30	Very low	51 Å²	51	97.8 Å²	97.8	27%	0.267	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.9	168.9	-82.5	156.2	0	0	0	109.1	F694 F696 G768 L805	F694-L707 PolarHBondContact N-O 3.01Å; F694-L707 WeakPolarHBondContact O-CB 3.44Å; F694-L707 PolarHBondContact O-N 2.85Å; F696-L707 HydrophobicContact CD2-CD1 4.04Å; F696-L707 HydrophobicContact CE2-CD1 3.87Å; L707-G768 WeakPolarHBondContact CA-O 3.03Å; L707-L805 HydrophobicContact CD2-CD1 3.71Å
708	I	32.7	Very low	30.1	Very low	41 Å²	41	99 Å²	99	21%	0.21	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.3	172.9	-56	176.4	0	0	0	107.2	I693 T706 G768 W770	I693-I708 HydrophobicContact CG1-CG1 4.49Å; T706-I708 HydrophobicContact CG2-CG1 4.28Å; I708-G768 PolarHBondContact N-O 2.87Å; I708-W770 PolarHBondContact O-N 2.85Å
709	R	28.7	Very low	30.6	Very low	120 Å²	120	98.9 Å²	98.9	45%	0.453	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	104.4	-178.1	-177.3	-179.5	-174.8	-168.1	-2.5	110	N692 W770 E772	N692-R709 HydrophobicContact CB-CB 4.31Å; N692-R709 WeakPolarHBondContact CB-O 3.19Å; N692-R709 PolarHBondContact ND2-O 2.89Å; N692-R709 PolarHBondContact O-N 3.43Å; R709-W770 HydrophobicContact CG-CG 4.45Å; R709-E772 IonicContact CZ-OE1 3.75Å; R709-E772 IonicContact NE-OE1 3.26Å; R709-E772 PolarHBondContact NE-OE1 3.3Å; R709-E772 IonicContact NH2-OE1 3.82Å; R709-E772 PolarHBondContact NH2-OE1 2.83Å; R709-E772 IonicContact NH2-OE2 3.28Å
710	T	31.7	Very low	30.9	Very low	37 Å²	37	97.6 Å²	97.6	23%	0.227	52%	0.523	C	S	.	.			trans	-77.1	146.4	173.3	70.6	0	0	0	0	109.9	F721 W770	T710-F721 HydrophobicContact CG2-CE2 3.77Å; T710-F721 HydrophobicContact CG2-CZ 4.25Å; T710-W770 PolarHBondContact N-O 2.67Å; T710-W770 PolarHBondContact OG1-O 2.89Å
711	S	29	Very low	30.7	Very low	68 Å²	68	100 Å²	100	48%	0.476	51%	0.514	S	S	.	.			trans	-135.6	104.9	-176.5	57.3	0	0	0	0	111.5	N692	N692-S711 PolarHBondContact ND2-OG 2.88Å; N692-S711 VanDerWaalsContact ND2-OG 3.16Å
712	K	31.3	Very low	30.6	Very low	176 Å²	176	98.1 Å²	98.1	77%	0.765	51%	0.507	S	S	*	.			trans	69.5	130.1	176.4	-61	-179.2	175.2	179.6	0	116.9
713	S	27.3	Very low	30.4	Very low	59 Å²	59	89.8 Å²	89.8	41%	0.413	48%	0.482	S	S	.	.			trans	-77.5	141.8	164.9	62.6	0	0	0	0	112.9	N773	S713-N773 WeakPolarHBondContact CB-O 3.38Å; S713-N773 PolarHBondContact OG-O 2.79Å; S713-N773 VanDerWaalsContact OG-O 3.13Å
714	R	28.5	Very low	30.3	Very low	215 Å²	215	92.4 Å²	92.4	81%	0.811	50%	0.498	S	S	*	.			trans	-154.3	116.3	152.5	-150.1	-178.8	-165.2	-171.7	4.2	111
715	S	30.1	Very low	30.2	Very low	118 Å²	118	91.9 Å²	91.9	83%	0.825	50%	0.499	S	S	*	.			trans	60.7	148.2	177.8	-156.8	0	0	0	0	117.2
716	A	26.2	Very low	30.2	Very low	83 Å²	83	97.5 Å²	97.5	69%	0.686	52%	0.516	S	S	*	.	S	Bend	trans	-76.5	140.7	164.9	0	0	0	0	0	109.9
717	N	31.7	Very low	30	Very low	116 Å²	116	99.4 Å²	99.4	62%	0.62	53%	0.532	S	S	*	.			trans	136.1	0	162.7	-73.9	-11.2	0	0	0	116	R1135	N717-R1135 PolarHBondContact O-NH2 2.57Å
718	D	32.6	Very low	29.8	Very low	136 Å²	136	101.4 Å²	101.4	73%	0.727	55%	0.549	S	S	*	.			trans	-91.1	122.8	177	-79.7	-36.4	0	0	0	113.9	D720	D718-D720 VanDerWaalsContact C-N 3.26Å; D718-D720 PolarHBondContact O-N 3.44Å
719	N	34	Very low	29.5	Very low	83 Å²	83	106.4 Å²	106.4	44%	0.444	58%	0.575	S	S	.	*			trans	-82.5	18.3	-173	-91.9	-74	0	0	0	114.5	F721 S722 N723	N719-F721 PolarHBondContact O-N 3.37Å; N719-S722 CarbonylContact O-C 3.57Å; N719-S722 WeakPolarHBondContact O-CA 3.45Å; N719-S722 WeakPolarHBondContact O-CB 3.41Å; N719-S722 PolarHBondContact O-N 2.74Å; N719-N723 PolarHBondContact O-N 3.49Å; N719-N723 PolarHBondContact O-ND2 3.42Å
720	D	34.5	Very low	29.4	Very low	117 Å²	117	104.3 Å²	104.3	63%	0.626	58%	0.583	S	S	*	*	H	α-helix	trans	-75	-18.1	-164.9	-91.7	-3	0	0	0	115.9	D718 N723	D718-D720 VanDerWaalsContact C-N 3.26Å; D718-D720 PolarHBondContact O-N 3.44Å; D720-N723 PolarHBondContact OD1-ND2 3.08Å
721	F	29.9	Very low	29.3	Very low	117 Å²	117	109.4 Å²	109.4	51%	0.513	61%	0.609	S	S	.	*	H	α-helix	trans	-70.8	-36.5	163.4	-114.1	-100.5	0	0	0	112	T710 N719 I769	T710-F721 HydrophobicContact CG2-CE2 3.77Å; T710-F721 HydrophobicContact CG2-CZ 4.25Å; N719-F721 PolarHBondContact O-N 3.37Å; F721-I769 HydrophobicContact CE1-CD1 4.44Å; F721-I769 HydrophobicContact CZ-CG2 4.35Å
722	S	30.5	Very low	29.2	Very low	43 Å²	43	114.4 Å²	114.4	30%	0.301	62%	0.619	S	S	.	*	H	α-helix	trans	-67.9	-40.4	174.7	-55.9	0	0	0	0	111.7	N719 L724 A725 R726	N719-S722 CarbonylContact O-C 3.57Å; N719-S722 WeakPolarHBondContact O-CA 3.45Å; N719-S722 WeakPolarHBondContact O-CB 3.41Å; N719-S722 PolarHBondContact O-N 2.74Å; S722-L724 PolarHBondContact O-N 2.88Å; S722-A725 PolarHBondContact O-N 2.03Å; S722-A725 VanDerWaalsContact O-N 3.16Å; S722-R726 WeakPolarHBondContact O-CB 3.47Å; S722-R726 VanDerWaalsContact O-CG 3.25Å; S722-R726 WeakPolarHBondContact O-CG 3.17Å; S722-R726 PolarHBondContact O-N 3.07Å
723	N	29.4	Very low	29.1	Very low	83 Å²	83	112.4 Å²	112.4	44%	0.444	62%	0.615	S	S	.	*	H	α-helix	trans	-65.5	-36.9	-174.2	-70.3	-27.3	0	0	0	113.4	N719 D720 A725	N719-N723 PolarHBondContact O-N 3.49Å; N719-N723 PolarHBondContact O-ND2 3.42Å; D720-N723 PolarHBondContact OD1-ND2 3.08Å; N723-A725 VanDerWaalsContact C-N 3.28Å; N723-A725 PolarHBondContact O-N 2.9Å
724	L	29.6	Very low	29.2	Very low	118 Å²	118	117 Å²	117	62%	0.618	64%	0.635	S	S	*	*	H	α-helix	trans	-65.9	-33	176	-157.6	71.1	0	0	0	111.8	I693 S722 S727	I693-L724 HydrophobicContact CD1-CD2 4.49Å; S722-L724 PolarHBondContact O-N 2.88Å; L724-S727 PolarHBondContact O-OG 3.14Å
725	A	27.1	Very low	29.2	Very low	65 Å²	65	110.1 Å²	110.1	54%	0.537	63%	0.632	S	S	.	*	H	α-helix	trans	-83.8	-37.5	178	0	0	0	0	0	114	S722 N723 S727 C728	S722-A725 PolarHBondContact O-N 2.03Å; S722-A725 VanDerWaalsContact O-N 3.16Å; N723-A725 VanDerWaalsContact C-N 3.28Å; N723-A725 PolarHBondContact O-N 2.9Å; A725-S727 PolarHBondContact O-N 2.94Å; A725-S727 VanDerWaalsContact O-N 3.17Å; A725-C728 PolarHBondContact O-N 3.3Å
726	R	29.2	Very low	29	Very low	151 Å²	151	114.7 Å²	114.7	57%	0.57	63%	0.631	S	S	*	*	H	α-helix	trans	-66.4	-14.3	-177.9	-75	175.2	-177.1	-160.4	2.1	113.4	S722 C728	S722-R726 WeakPolarHBondContact O-CB 3.47Å; S722-R726 VanDerWaalsContact O-CG 3.25Å; S722-R726 WeakPolarHBondContact O-CG 3.17Å; S722-R726 PolarHBondContact O-N 3.07Å; R726-C728 PolarHBondContact O-N 3.4Å
727	S	28.4	Very low	29	Very low	91 Å²	91	117 Å²	117	64%	0.636	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-12.4	171.2	69.1	0	0	0	0	115.1	L724 A725	L724-S727 PolarHBondContact O-OG 3.14Å; A725-S727 PolarHBondContact O-N 2.94Å; A725-S727 VanDerWaalsContact O-N 3.17Å
728	C	23	Very low	28.8	Very low	92 Å²	92	118.3 Å²	118.3	62%	0.622	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	46.9	-178.6	-76.3	0	0	0	0	113.6	A725 R726 A730	A725-C728 PolarHBondContact O-N 3.3Å; R726-C728 PolarHBondContact O-N 3.4Å; C728-A730 PolarHBondContact O-N 2.04Å
729	L	27.6	Very low	28.4	Very low	147 Å²	147	122.1 Å²	122.1	77%	0.77	64%	0.643	S	S	*	*			trans	-66.9	125.8	173.1	-94.5	162.3	0	0	0	112.5
730	A	26.1	Very low	27.9	Very low	75 Å²	75	129.5 Å²	129.5	62%	0.62	67%	0.665	S	S	*	*			trans	-143.1	107.3	169	0	0	0	0	0	109.7	C728 Y732	C728-A730 PolarHBondContact O-N 2.04Å; A730-Y732 PolarHBondContact O-N 2.6Å
731	N	28.9	Very low	27.5	Very low	145 Å²	145	127.7 Å²	127.7	78%	0.775	66%	0.661	S	S	*	*			trans	-66	131.5	-175	-75	-18.2	0	0	0	112.4
732	Y	27.9	Very low	27.2	Very low	173 Å²	173	126.2 Å²	126.2	68%	0.678	65%	0.654	S	S	*	*			trans	-100.3	116.3	167	-93	-97.4	0	0	0	109.9	A730	A730-Y732 PolarHBondContact O-N 2.6Å
733	I	29.5	Very low	27	Very low	134 Å²	134	130.8 Å²	130.8	69%	0.687	68%	0.675	S	S	*	*			trans	-127.5	136.5	168.1	-61.7	178.7	0	0	0	108	G735	I733-G735 VanDerWaalsContact C-N 3.32Å; I733-G735 PolarHBondContact O-N 3.39Å; I733-G735 VanDerWaalsContact O-N 3.15Å
734	N	28.2	Very low	26.7	Very low	154 Å²	154	137 Å²	137	82%	0.824	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.4	30.3	170.8	-66.5	-29.6	0	0	0	117.9	R736	N734-R736 VanDerWaalsContact C-N 3.28Å; N734-R736 PolarHBondContact O-N 3.32Å
735	G	28.8	Very low	26.6	Very low	72 Å²	72	135.8 Å²	135.8	74%	0.742	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.2	18.9	153.2	0	0	0	0	0	117.5	I733	I733-G735 VanDerWaalsContact C-N 3.32Å; I733-G735 PolarHBondContact O-N 3.39Å; I733-G735 VanDerWaalsContact O-N 3.15Å
736	R	26.1	Very low	26.4	Very low	214 Å²	214	143 Å²	143	81%	0.808	71%	0.711	S	S	*	*			trans	-125.8	108.6	177.9	-81.5	-173.3	168.2	-173.7	-1.3	112.1	N734 L738	N734-R736 VanDerWaalsContact C-N 3.28Å; N734-R736 PolarHBondContact O-N 3.32Å; R736-L738 PolarHBondContact O-N 3.33Å; R736-L738 VanDerWaalsContact O-N 3.09Å
737	L	26.6	Very low	26.1	Very low	131 Å²	131	142 Å²	142	69%	0.686	71%	0.713	S	S	*	*			trans	-76.6	94.3	178.3	-162.5	152.4	0	0	0	110.3
738	L	25.9	Very low	25.9	Very low	143 Å²	143	145.2 Å²	145.2	75%	0.749	72%	0.722	S	S	*	*			trans	-109.4	105	179.2	-85.5	168.1	0	0	0	111.6	R736	R736-L738 PolarHBondContact O-N 3.33Å; R736-L738 VanDerWaalsContact O-N 3.09Å
739	Y	25.9	Very low	25.9	Very low	217 Å²	217	146.1 Å²	146.1	85%	0.851	73%	0.725	S	S	*	*			trans	54.5	118.4	163.8	-94.5	-97.2	0	0	0	119.9
740	W	22.4	Very low	26	Very low	238 Å²	238	145.3 Å²	145.3	90%	0.902	73%	0.726	S	S	*	*			trans	-72.5	134.2	164.8	-79.9	18.5	0	0	0	112.5
741	S	26.1	Very low	26	Very low	78 Å²	78	149 Å²	149	55%	0.545	74%	0.736	S	S	.	*			trans	-159.3	123.4	136.8	30.9	0	0	0	0	114.4	Y648	Y648-S741 VanDerWaalsContact OH-CB 3.27Å; Y648-S741 WeakPolarHBondContact OH-CB 3.15Å; Y648-S741 PolarHBondContact OH-O 3.42Å; Y648-S741 PolarHBondContact OH-OG 2.03Å
742	K	24.3	Very low	25.9	Very low	86 Å²	86	150.5 Å²	150.5	37%	0.374	74%	0.738	S	S	.	*			trans	81.4	70.5	166.1	-54.1	-163.3	-173	172.1	0	119.8	Y648	Y648-K742 HydrophobicContact CD1-CD 3.85Å; Y648-K742 VanDerWaalsContact CD1-CE 3.42Å; Y648-K742 HydrophobicContact CD2-CB 4.44Å; Y648-K742 HydrophobicContact CD2-CD 3.6Å; Y648-K742 HydrophobicContact CD2-CG 4.31Å; Y648-K742 HydrophobicContact CE1-CD 4.09Å; Y648-K742 HydrophobicContact CE1-CG 4.46Å; Y648-K742 HydrophobicContact CE2-CB 4.16Å; Y648-K742 HydrophobicContact CE2-CD 3.9Å; Y648-K742 HydrophobicContact CE2-CG 4.12Å; Y648-K742 HydrophobicContact CG-CD 3.58Å
743	L	26.5	Very low	26	Very low	139 Å²	139	148.5 Å²	148.5	73%	0.728	74%	0.739	S	S	*	*	P	Polyproline II helix		-84.4	150.6	129.8	-101.7	163.6	0	0	0	109.7
744	W	23	Very low	25.9	Very low	214 Å²	214	148.3 Å²	148.3	81%	0.811	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-76.2	134.8	175	-83.9	50.6	0	0	0	110.4
745	P	26.3	Very low	25.8	Very low	93 Å²	93	149 Å²	149	60%	0.604	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-76.9	141.8	165.3	32.2	-32	0	0	0	110.2	Q747	P745-Q747 HydrophobicContact CG-CG 4.24Å; P745-Q747 PolarHBondContact O-N 3.37Å
746	F	23.1	Very low	25.6	Very low	216 Å²	216	151.8 Å²	151.8	95%	0.947	75%	0.752	S	S	*	*			trans	-60.4	106.4	153	-104.5	-90.4	0	0	0	107.7	L748	F746-L748 PolarHBondContact O-N 3.37Å
747	Q	23.4	Very low	25.5	Very low	131 Å²	131	144.9 Å²	144.9	61%	0.612	75%	0.747	S	S	*	*			trans	-75.1	91.1	179.4	-74.2	-160.8	-50.6	0	0	110.4	P745 T749	P745-Q747 HydrophobicContact CG-CG 4.24Å; P745-Q747 PolarHBondContact O-N 3.37Å; Q747-T749 HydrophobicContact CB-CG2 4.29Å; Q747-T749 PolarHBondContact O-N 2.85Å
748	L	24	Very low	25.5	Very low	157 Å²	157	150.5 Å²	150.5	82%	0.822	76%	0.759	S	S	*	*			trans	-65.8	91.8	151	-86.4	167.2	0	0	0	108.2	F746 T750	F746-L748 PolarHBondContact O-N 3.37Å; L748-T750 PolarHBondContact O-N 2.89Å
749	T	22.6	Very low	25.6	Very low	111 Å²	111	150.7 Å²	150.7	68%	0.681	76%	0.761	S	S	*	*			trans	-65.9	95.4	-179.9	37	0	0	0	0	111	Q747	Q747-T749 HydrophobicContact CB-CG2 4.29Å; Q747-T749 PolarHBondContact O-N 2.85Å
750	T	29.7	Very low	25.5	Very low	130 Å²	130	144.8 Å²	144.8	80%	0.798	75%	0.749	S	S	*	*			trans	-114.1	129.8	161.6	49.3	0	0	0	0	108.3	L748	L748-T750 PolarHBondContact O-N 2.89Å
751	N	27.2	Very low	26	Very low	154 Å²	154	143.7 Å²	143.7	82%	0.824	75%	0.75	S	S	*	*			trans	-70.4	137.6	-160.9	-66.9	-21	0	0	0	113.1
752	E	26.9	Very low	26.1	Very low	176 Å²	176	145.2 Å²	145.2	82%	0.822	75%	0.749	S	S	*	*			trans	20.2	103.4	152.9	-58.3	-177.3	169.5	0	0	117.3
753	N	29.8	Very low	26.3	Very low	131 Å²	131	143.7 Å²	143.7	70%	0.701	75%	0.749	S	S	*	*				-172.5	157.9	101.2	-99.4	-74.5	0	0	0	112.4
754	T	26.8	Very low	26.8	Very low	129 Å²	129	139.7 Å²	139.7	79%	0.791	73%	0.726	S	S	*	*			trans	-71.8	141.2	-168.9	42.5	0	0	0	0	114.7
755	L	26.1	Very low	27.4	Very low	169 Å²	169	134.1 Å²	134.1	89%	0.885	71%	0.711	S	S	*	*			trans	-156	112.3	152.5	-113	169.9	0	0	0	109.7
756	P	24.9	Very low	27.8	Very low	130 Å²	130	131.5 Å²	131.5	84%	0.844	69%	0.692	S	S	*	*			trans	-80	133.4	179.8	31.4	-33.7	0	0	0	111.3
757	G	24.8	Very low	28.6	Very low	70 Å²	70	123.4 Å²	123.4	72%	0.722	66%	0.66	S	S	*	*			trans	-172.2	145.3	175.1	0	0	0	0	0	112.2	L759	G757-L759 PolarHBondContact O-N 2.75Å
758	R	26.5	Very low	29	Very low	248 Å²	248	117.2 Å²	117.2	94%	0.936	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-60.7	126.1	169.4	-71.5	174.1	171.9	159.3	-3.7	108.7
759	L	26.6	Very low	29.9	Very low	148 Å²	148	110.5 Å²	110.5	78%	0.775	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-56.7	132.3	156.4	-81.4	167	0	0	0	107.9	G757	G757-L759 PolarHBondContact O-N 2.75Å
760	P	25.6	Very low	30.7	Very low	93 Å²	93	107.8 Å²	107.8	60%	0.604	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-65.2	149.1	177.7	27.8	-34	0	0	0	109.8	Q762	P760-Q762 PolarHBondContact O-N 2.82Å
761	K	31	Very low	31.3	Very low	215 Å²	215	102.9 Å²	102.9	94%	0.935	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	34.7	-179	-64.4	-170.4	169.6	-165.2	0	114.5
762	Q	29	Very low	31.7	Very low	109 Å²	109	97.1 Å²	97.1	51%	0.509	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.1	10.9	-169.5	-65.9	-165.9	-7.9	0	0	115.1	P760 K764	P760-Q762 PolarHBondContact O-N 2.82Å; Q762-K764 PolarHBondContact O-N 3.35Å
763	S	28.4	Very low	32.3	Very low	55 Å²	55	92.3 Å²	92.3	39%	0.385	49%	0.49	S	S	.	.			trans	-66.9	110.8	169.3	51.4	0	0	0	0	110.3	I788	S763-I788 WeakPolarHBondContact O-CD1 3.22Å
764	K	36.5	Very low	32.7	Very low	55 Å²	55	87.9 Å²	87.9	24%	0.239	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-96.2	124.9	175.2	-62.1	-175.3	-175.7	-174.4	0	109.5	Q762 P810	Q762-K764 PolarHBondContact O-N 3.35Å; K764-P810 HydrophobicContact CB-CB 4.41Å; K764-P810 HydrophobicContact CB-CG 4.33Å; K764-P810 HydrophobicContact CG-CB 4.38Å
765	I	35.4	Very low	33.1	Very low	96 Å²	96	89.2 Å²	89.2	49%	0.492	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-89.1	120.8	170.8	-59.6	173.1	0	0	0	107.3	V767 P810	I765-V767 HydrophobicContact CG2-CG2 4.05Å; I765-P810 WeakPolarHBondContact O-CD 2.98Å; I765-P810 WeakPolarHBondContact O-CG 3.37Å
766	L	36	Very low	33.5	Very low	38 Å²	38	91.4 Å²	91.4	20%	0.199	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.6	163.9	-120.2	85.4	0	0	0	107.8	V705 L807 L809 V831	V705-L766 HydrophobicContact CG1-CB 4.49Å; V705-L766 HydrophobicContact CG2-CB 4.44Å; L766-L807 HydrophobicContact CD2-CD2 4.37Å; L766-L809 HydrophobicContact CD1-CD2 3.63Å; L766-L809 HydrophobicContact CD2-CD2 4.17Å; L766-L809 HydrophobicContact CG-CD2 3.92Å; L766-V831 HydrophobicContact CD2-CG2 4.33Å
767	V	38.7	Very low	33.8	Very low	46 Å²	46	87.4 Å²	87.4	28%	0.279	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.6	170.5	-176.3	0	0	0	0	107.8	I765 I769 I808	I765-V767 HydrophobicContact CG2-CG2 4.05Å; V767-I769 HydrophobicContact CG1-CG1 4.04Å; V767-I808 HydrophobicContact CB-CB 4.41Å; V767-I808 HydrophobicContact CB-CD1 4.2Å; V767-I808 HydrophobicContact CG1-CD1 4.22Å; V767-I808 PolarHBondContact O-N 3.29Å
768	G	33.5	Very low	34.1	Very low	2 Å²	2	87 Å²	87	2%	0.021	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.5	169.2	0	0	0	0	0	109.6	T706 L707 I708 V806	T706-G768 PolarHBondContact O-N 3.09Å; L707-G768 WeakPolarHBondContact CA-O 3.03Å; I708-G768 PolarHBondContact N-O 2.87Å; G768-V806 WeakPolarHBondContact CA-O 2.99Å
769	I	41.6	Very low	34.5	Very low	16 Å²	16	77.8 Å²	77.8	8%	0.082	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.1	174	-52.6	178.5	0	0	0	107.4	F721 V767 I771 M783 V806 I808	F721-I769 HydrophobicContact CE1-CD1 4.44Å; F721-I769 HydrophobicContact CZ-CG2 4.35Å; V767-I769 HydrophobicContact CG1-CG1 4.04Å; I769-I771 HydrophobicContact CG2-CG1 4.1Å; I769-M783 HydrophobicContact CD1-CE 3.8Å; I769-M783 HydrophobicContact CD1-SD 4.5Å; I769-V806 HydrophobicContact CB-CB 4.35Å; I769-V806 PolarHBondContact N-O 3.23Å; I769-V806 PolarHBondContact O-N 2.96Å; I769-I808 HydrophobicContact CD1-CD1 3.94Å; I769-I808 HydrophobicContact CG1-CD1 4.04Å
770	W	40.9	Very low	34.9	Very low	53 Å²	53	77.7 Å²	77.7	20%	0.201	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.2	177.7	177.4	-81.4	0	0	0	109.6	I708 R709 T710 E772 L805 L826	I708-W770 PolarHBondContact O-N 2.85Å; R709-W770 HydrophobicContact CG-CG 4.45Å; T710-W770 PolarHBondContact N-O 2.67Å; T710-W770 PolarHBondContact OG1-O 2.89Å; W770-E772 VanDerWaalsContact NE1-CG 3.28Å; W770-E772 PolarHBondContact NE1-OE1 2.53Å; W770-L805 HydrophobicContact CE3-CB 4.03Å; W770-L805 HydrophobicContact CE3-CD1 4.38Å; W770-L805 HydrophobicContact CZ3-CB 4.36Å; W770-L826 WeakPolarHBondContact CH2-O 3.27Å; W770-L826 VanDerWaalsContact CZ3-O 3.27Å; W770-L826 WeakPolarHBondContact CZ3-O 3.47Å
771	I	40.4	Very low	35.3	Very low	27 Å²	27	74.9 Å²	74.9	14%	0.138	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.8	-169.8	-54.3	-179.5	0	0	0	110.3	I769 I774 I799 G804 V806	I769-I771 HydrophobicContact CG2-CG1 4.1Å; I771-I774 HydrophobicContact CG2-CD1 3.78Å; I771-I774 HydrophobicContact CG2-CG1 4.35Å; I771-I799 HydrophobicContact CD1-CD1 3.68Å; I771-G804 PolarHBondContact N-O 3.01Å; I771-V806 HydrophobicContact CD1-CG2 3.93Å
772	E	36.6	Very low	35.4	Very low	34 Å²	34	68.5 Å²	68.5	16%	0.159	38%	0.375	C	S	.	.			trans	-109	139.3	179.5	-61.4	-172.6	176.3	0	0	112.6	R709 W770	R709-E772 IonicContact CZ-OE1 3.75Å; R709-E772 IonicContact NE-OE1 3.26Å; R709-E772 PolarHBondContact NE-OE1 3.3Å; R709-E772 IonicContact NH2-OE1 3.82Å; R709-E772 PolarHBondContact NH2-OE1 2.83Å; R709-E772 IonicContact NH2-OE2 3.28Å; W770-E772 VanDerWaalsContact NE1-CG 3.28Å; W770-E772 PolarHBondContact NE1-OE1 2.53Å
773	N	40.2	Very low	35.7	Very low	75 Å²	75	64.9 Å²	64.9	40%	0.401	36%	0.358	S	S	.	.			trans	43.5	91.6	177	-75.5	-64.8	0	0	0	116	S713 H803	S713-N773 WeakPolarHBondContact CB-O 3.38Å; S713-N773 PolarHBondContact OG-O 2.79Å; S713-N773 VanDerWaalsContact OG-O 3.13Å; N773-H803 PolarHBondContact N-CD2 3.24Å; N773-H803 VanDerWaalsContact N-CD2 3.3Å; N773-H803 PolarHBondContact N-NE2 2.99Å
774	I	38.2	Very low	36	Very low	38 Å²	38	65.4 Å²	65.4	20%	0.195	36%	0.357	C	S	.	.			trans	-102.1	115.1	157.7	-72	167.3	0	0	0	107.3	I771 I799	I771-I774 HydrophobicContact CG2-CD1 3.78Å; I771-I774 HydrophobicContact CG2-CG1 4.35Å; I774-I799 HydrophobicContact CD1-CB 3.85Å; I774-I799 HydrophobicContact CD1-CD1 4.35Å; I774-I799 HydrophobicContact CD1-CG2 3.27Å
775	Q	34.4	Very low	36	Very low	157 Å²	157	64.3 Å²	64.3	73%	0.734	35%	0.353	S	S	*	.			trans	-69.5	163.7	170.4	-67.5	-166.1	-24.4	0	0	110.3	G777	Q775-G777 VanDerWaalsContact C-N 3.3Å; Q775-G777 PolarHBondContact O-N 3.31Å
776	H	34.3	Very low	35.8	Very low	214 Å²	214	65.1 Å²	65.1	99%	0.991	36%	0.358	S	S	*	.	S	Bend	trans	-67.8	81.5	-173.3	-80	-79	0	0	0	113.6
777	G	30.9	Very low	35.6	Very low	46 Å²	46	65.2 Å²	65.2	47%	0.474	36%	0.356	S	S	.	.	S	Bend	trans	-161	129.7	168.1	0	0	0	0	0	107.8	Q775 S779	Q775-G777 VanDerWaalsContact C-N 3.3Å; Q775-G777 PolarHBondContact O-N 3.31Å; G777-S779 PolarHBondContact O-N 3.24Å; G777-S779 PolarHBondContact O-OG 2.87Å
778	G	32	Very low	35.1	Very low	62 Å²	62	69.3 Å²	69.3	64%	0.639	38%	0.375	S	S	*	.			trans	-59.2	112.3	-176.1	0	0	0	0	0	110.4
779	S	35.1	Very low	35.1	Very low	54 Å²	54	73.6 Å²	73.6	38%	0.378	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	108.8	178	-55.5	0	0	0	0	107.7	G777 A781 I799	G777-S779 PolarHBondContact O-N 3.24Å; G777-S779 PolarHBondContact O-OG 2.87Å; S779-A781 PolarHBondContact O-N 3.44Å; S779-I799 PolarHBondContact O-N 2.85Å
780	E	34.4	Very low	34.7	Very low	146 Å²	146	75.5 Å²	75.5	68%	0.682	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	118.9	167.9	-67.4	-166.2	131	0	0	108.7	Y797	E780-Y797 WeakPolarHBondContact CA-O 3.19Å
781	A	34.8	Very low	34.4	Very low	35 Å²	35	77.6 Å²	77.6	29%	0.289	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	108.4	172.5	0	0	0	0	0	108.7	S779 Y797 I799	S779-A781 PolarHBondContact O-N 3.44Å; A781-Y797 PolarHBondContact N-O 3.18Å; A781-Y797 PolarHBondContact O-N 3.44Å; A781-I799 HydrophobicContact CB-CD1 3.49Å; A781-I799 VanDerWaalsContact CB-CD1 3.49Å; A781-I799 HydrophobicContact CB-CG1 4.01Å
782	E	33.3	Very low	34.3	Very low	81 Å²	81	82.9 Å²	82.9	38%	0.379	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.9	166.1	-67.4	-172.2	160.8	0	0	110.4	N85 H794 T796	N85-E782 PolarHBondContact ND2-OE1 2.82Å; N85-E782 PolarHBondContact ND2-OE2 2.84Å; E782-H794 IonicContact OE1-CE1 2.71Å; E782-H794 IonicContact OE1-NE2 3.74Å; E782-H794 PolarHBondContact OE1-NE2 2.03Å; E782-H794 IonicContact OE2-CE1 2.7Å; E782-H794 PolarHBondContact OE2-CE1 3.15Å; E782-T796 HydrophobicContact CG-CG2 3.81Å
783	M	34.7	Very low	34.3	Very low	33 Å²	33	83.1 Å²	83.1	16%	0.163	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	132.1	164.7	66.4	177.3	-48.9	0	0	112.7	I769 I785 C795 Y797 I808	I769-M783 HydrophobicContact CD1-CE 3.8Å; I769-M783 HydrophobicContact CD1-SD 4.5Å; M783-I785 HydrophobicContact CE-CD1 4.13Å; M783-I785 HydrophobicContact CE-CG1 3.7Å; M783-I785 HydrophobicContact CG-CD1 4.48Å; M783-I785 HydrophobicContact CG-CG1 4.29Å; M783-I785 HydrophobicContact SD-CD1 4.2Å; M783-I785 HydrophobicContact SD-CG1 4.28Å; M783-C795 HydrophobicContact CG-CB 4.35Å; M783-C795 PolarHBondContact N-O 3.14Å; M783-C795 VanDerWaalsContact N-O 3.08Å; M783-C795 PolarHBondContact O-N 3.13Å; M783-C795 VanDerWaalsContact O-N 3.11Å; M783-Y797 HydrophobicContact CG-CE2 3.89Å; M783-Y797 HydrophobicContact SD-CE2 3.89Å; M783-I808 HydrophobicContact CE-CD1 3.72Å; M783-I808 HydrophobicContact CE-CG1 3.86Å; M783-I808 HydrophobicContact SD-CD1 4.19Å; M783-I808 HydrophobicContact SD-CG1 4.08Å
784	D	35	Very low	34.3	Very low	66 Å²	66	83.8 Å²	83.8	35%	0.353	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	101.1	173	-102.5	25.7	0	0	0	110.1	N786 K792 F793 H794	D784-N786 PolarHBondContact O-N 2.96Å; D784-K792 WeakPolarHBondContact OD2-CD 3.46Å; D784-K792 WeakPolarHBondContact OD2-CE 3.16Å; D784-K792 IonicContact OD2-NZ 2.81Å; D784-K792 PolarHBondContact OD2-NZ 3.28Å; D784-F793 CarbonylContact C-O 3.52Å; D784-F793 WeakPolarHBondContact CA-O 3.05Å; D784-H794 IonicContact OD1-CG 2.7Å; D784-H794 IonicContact OD1-ND1 3.7Å; D784-H794 PolarHBondContact OD1-ND1 2.86Å
785	I	36	Very low	34.2	Very low	31 Å²	31	82.1 Å²	82.1	16%	0.159	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	98.8	174.6	-55.8	163	0	0	0	108.7	M783 Y787 F793 I808	M783-I785 HydrophobicContact CE-CD1 4.13Å; M783-I785 HydrophobicContact CE-CG1 3.7Å; M783-I785 HydrophobicContact CG-CD1 4.48Å; M783-I785 HydrophobicContact CG-CG1 4.29Å; M783-I785 HydrophobicContact SD-CD1 4.2Å; M783-I785 HydrophobicContact SD-CG1 4.28Å; I785-Y787 HydrophobicContact CB-CE2 4.35Å; I785-Y787 HydrophobicContact CG2-CD2 3.82Å; I785-Y787 HydrophobicContact CG2-CE2 3.57Å; I785-Y787 PolarHBondContact O-N 2.7Å; I785-F793 HydrophobicContact CB-CB 4.2Å; I785-F793 PolarHBondContact N-O 3.03Å; I785-F793 PolarHBondContact O-N 2.89Å; I785-I808 HydrophobicContact CD1-CG2 3.73Å; I785-I808 HydrophobicContact CG1-CG2 4.4Å
786	N	30.8	Very low	34.3	Very low	113 Å²	113	78.3 Å²	78.3	60%	0.604	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	108	169.4	-85.8	-49.8	0	0	0	110.9	D784 K792	D784-N786 PolarHBondContact O-N 2.96Å; N786-K792 WeakPolarHBondContact OD1-CG 3.44Å
787	Y	31	Very low	34.4	Very low	41 Å²	41	70 Å²	70	16%	0.161	40%	0.399	C	S	.	.			trans	-79.3	153.9	170.5	-81.6	-102.4	0	0	0	111.9	I785 T789 G790 E791 F793 P810	I785-Y787 HydrophobicContact CB-CE2 4.35Å; I785-Y787 HydrophobicContact CG2-CD2 3.82Å; I785-Y787 HydrophobicContact CG2-CE2 3.57Å; I785-Y787 PolarHBondContact O-N 2.7Å; Y787-T789 VanDerWaalsContact CB-OG1 3.24Å; Y787-T789 WeakPolarHBondContact CB-OG1 3Å; Y787-T789 PolarHBondContact O-N 3.08Å; Y787-G790 PolarHBondContact O-N 2.8Å; Y787-E791 PolarHBondContact N-O 2.86Å; Y787-E791 VanDerWaalsContact N-O 3.14Å; Y787-F793 AromaticContact CD2-CD2 3.79Å; Y787-F793 HydrophobicContact CD2-CD2 3.79Å; Y787-F793 HydrophobicContact CD2-CE2 4.4Å; Y787-F793 AromaticContact CE2-CD2 3.76Å; Y787-F793 HydrophobicContact CE2-CD2 3.76Å; Y787-F793 HydrophobicContact CE2-CE2 4.37Å; Y787-F793 HydrophobicContact CE2-CG 4.34Å; Y787-P810 HydrophobicContact CE1-CB 3.81Å
788	I	29.9	Very low	34.5	Very low	131 Å²	131	74.4 Å²	74.4	67%	0.672	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-10.3	173.2	-55.2	175.2	0	0	0	112	S763 G790	S763-I788 WeakPolarHBondContact O-CD1 3.22Å; I788-G790 VanDerWaalsContact C-N 3.33Å
789	T	33.5	Very low	35	Very low	93 Å²	93	72 Å²	72	57%	0.571	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-17.1	170.7	49.8	0	0	0	0	113.8	Y787 E791	Y787-T789 VanDerWaalsContact CB-OG1 3.24Å; Y787-T789 WeakPolarHBondContact CB-OG1 3Å; Y787-T789 PolarHBondContact O-N 3.08Å; T789-E791 VanDerWaalsContact C-N 3.33Å; T789-E791 WeakPolarHBondContact CB-OE2 3.48Å; T789-E791 PolarHBondContact OG1-N 2.98Å; T789-E791 PolarHBondContact OG1-OE2 3.11Å
790	G	31.4	Very low	35.2	Very low	56 Å²	56	73.7 Å²	73.7	58%	0.577	39%	0.392	S	S	*	.	S	Bend	trans	86.4	2.3	-170.4	0	0	0	0	0	113.9	Y787 I788 K792	Y787-G790 PolarHBondContact O-N 2.8Å; I788-G790 VanDerWaalsContact C-N 3.33Å; G790-K792 PolarHBondContact O-N 3.13Å
791	E	34.8	Very low	35.6	Very low	97 Å²	97	68.2 Å²	68.2	45%	0.453	37%	0.374	S	S	.	.			trans	-78.5	117.7	171	-66.3	157.8	136.1	0	0	109	Y787 T789 F793	Y787-E791 PolarHBondContact N-O 2.86Å; Y787-E791 VanDerWaalsContact N-O 3.14Å; T789-E791 VanDerWaalsContact C-N 3.33Å; T789-E791 WeakPolarHBondContact CB-OE2 3.48Å; T789-E791 PolarHBondContact OG1-N 2.98Å; T789-E791 PolarHBondContact OG1-OE2 3.11Å; E791-F793 HydrophobicContact CB-CD2 4.43Å; E791-F793 HydrophobicContact CB-CE2 4.09Å
792	K	38.4	Very low	35.8	Very low	138 Å²	138	72.9 Å²	72.9	60%	0.6	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.2	160.3	-86.4	-167.4	169.7	-153.7	0	108.7	D784 N786 G790	D784-K792 WeakPolarHBondContact OD2-CD 3.46Å; D784-K792 WeakPolarHBondContact OD2-CE 3.16Å; D784-K792 IonicContact OD2-NZ 2.81Å; D784-K792 PolarHBondContact OD2-NZ 3.28Å; N786-K792 WeakPolarHBondContact OD1-CG 3.44Å; G790-K792 PolarHBondContact O-N 3.13Å
793	F	38.1	Very low	36.3	Very low	38 Å²	38	72.3 Å²	72.3	17%	0.167	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.4	159.9	-86.3	-93.2	0	0	0	109.2	D784 I785 Y787 E791 L815	D784-F793 CarbonylContact C-O 3.52Å; D784-F793 WeakPolarHBondContact CA-O 3.05Å; I785-F793 HydrophobicContact CB-CB 4.2Å; I785-F793 PolarHBondContact N-O 3.03Å; I785-F793 PolarHBondContact O-N 2.89Å; Y787-F793 AromaticContact CD2-CD2 3.79Å; Y787-F793 HydrophobicContact CD2-CD2 3.79Å; Y787-F793 HydrophobicContact CD2-CE2 4.4Å; Y787-F793 AromaticContact CE2-CD2 3.76Å; Y787-F793 HydrophobicContact CE2-CD2 3.76Å; Y787-F793 HydrophobicContact CE2-CE2 4.37Å; Y787-F793 HydrophobicContact CE2-CG 4.34Å; E791-F793 HydrophobicContact CB-CD2 4.43Å; E791-F793 HydrophobicContact CB-CE2 4.09Å; F793-L815 HydrophobicContact CE1-CB 3.75Å; F793-L815 HydrophobicContact CE1-CD2 4.36Å; F793-L815 HydrophobicContact CE1-CG 4.28Å; F793-L815 HydrophobicContact CZ-CB 3.62Å; F793-L815 HydrophobicContact CZ-CD2 3.79Å; F793-L815 HydrophobicContact CZ-CG 3.66Å
794	H	40.2	Very low	36.7	Very low	90 Å²	90	70.7 Å²	70.7	42%	0.417	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.8	162.5	-167	79.1	0	0	0	108.2	E782 D784	E782-H794 IonicContact OE1-CE1 2.71Å; E782-H794 IonicContact OE1-NE2 3.74Å; E782-H794 PolarHBondContact OE1-NE2 2.03Å; E782-H794 IonicContact OE2-CE1 2.7Å; E782-H794 PolarHBondContact OE2-CE1 3.15Å; D784-H794 IonicContact OD1-CG 2.7Å; D784-H794 IonicContact OD1-ND1 3.7Å; D784-H794 PolarHBondContact OD1-ND1 2.86Å
795	C	35.9	Very low	36.9	Very low	2 Å²	2	68 Å²	68	1%	0.014	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	113.5	175.3	-63.6	0	0	0	0	109.6	M783 Y797 C817	M783-C795 HydrophobicContact CG-CB 4.35Å; M783-C795 PolarHBondContact N-O 3.14Å; M783-C795 VanDerWaalsContact N-O 3.08Å; M783-C795 PolarHBondContact O-N 3.13Å; M783-C795 VanDerWaalsContact O-N 3.11Å; C795-Y797 HydrophobicContact CB-CD2 4.37Å; C795-Y797 HydrophobicContact CB-CE1 4.37Å; C795-Y797 HydrophobicContact CB-CE2 3.43Å; C795-Y797 VanDerWaalsContact CB-CE2 3.43Å; C795-Y797 VanDerWaalsContact CB-CZ 3.43Å; C795-Y797 WeakPolarHBondContact CB-OH 3.38Å; C795-Y797 PolarHBondContact SG-OH 3.35Å; C795-C817 HydrophobicContact CB-CB 3.82Å; C795-C817 WeakPolarHBondContact CB-SG 3.11Å; C795-C817 WeakPolarHBondContact SG-CB 3.08Å; C795-C817 CovalentContact SG-SG 2.05Å; C795-C817 PolarHBondContact SG-SG 2.89Å
796	T	34.9	Very low	37.4	Very low	77 Å²	77	67 Å²	67	47%	0.472	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.4	167.2	34.8	0	0	0	0	110.5	E782	E782-T796 HydrophobicContact CG-CG2 3.81Å
797	Y	36.7	Very low	37.8	Very low	39 Å²	39	62.8 Å²	62.8	15%	0.153	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.1	172.3	-52.4	-81.9	0	0	0	110.6	E780 A781 M783 C795 I799 C817 V819	E780-Y797 WeakPolarHBondContact CA-O 3.19Å; A781-Y797 PolarHBondContact N-O 3.18Å; A781-Y797 PolarHBondContact O-N 3.44Å; M783-Y797 HydrophobicContact CG-CE2 3.89Å; M783-Y797 HydrophobicContact SD-CE2 3.89Å; C795-Y797 HydrophobicContact CB-CD2 4.37Å; C795-Y797 HydrophobicContact CB-CE1 4.37Å; C795-Y797 HydrophobicContact CB-CE2 3.43Å; C795-Y797 VanDerWaalsContact CB-CE2 3.43Å; C795-Y797 VanDerWaalsContact CB-CZ 3.43Å; C795-Y797 WeakPolarHBondContact CB-OH 3.38Å; C795-Y797 PolarHBondContact SG-OH 3.35Å; Y797-I799 PolarHBondContact O-N 2.74Å; Y797-C817 HydrophobicContact CE1-CB 4.02Å; Y797-C817 WeakPolarHBondContact OH-CB 3.39Å; Y797-V819 HydrophobicContact CD1-CB 4.18Å; Y797-V819 HydrophobicContact CD1-CG2 4.02Å; Y797-V819 HydrophobicContact CD2-CG2 4.31Å; Y797-V819 HydrophobicContact CE1-CB 3.74Å; Y797-V819 HydrophobicContact CE1-CG2 3.39Å; Y797-V819 HydrophobicContact CE2-CG2 3.72Å; Y797-V819 HydrophobicContact CG-CG2 4.43Å; Y797-V819 WeakPolarHBondContact OH-CG2 3.42Å
798	E	34.5	Very low	38.5	Very low	140 Å²	140	61.4 Å²	61.4	65%	0.654	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	108.8	167.8	-176.7	-173.1	-165.9	0	0	109.2
799	I	41.9	Very low	39	Very low	10 Å²	10	56.8 Å²	56.8	5%	0.051	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.7	179.1	-53	-171.6	0	0	0	110.9	I771 I774 S779 A781 Y797 W821	I771-I799 HydrophobicContact CD1-CD1 3.68Å; I774-I799 HydrophobicContact CD1-CB 3.85Å; I774-I799 HydrophobicContact CD1-CD1 4.35Å; I774-I799 HydrophobicContact CD1-CG2 3.27Å; S779-I799 PolarHBondContact O-N 2.85Å; A781-I799 HydrophobicContact CB-CD1 3.49Å; A781-I799 VanDerWaalsContact CB-CD1 3.49Å; A781-I799 HydrophobicContact CB-CG1 4.01Å; Y797-I799 PolarHBondContact O-N 2.74Å; I799-W821 HydrophobicContact CB-CZ2 4.28Å; I799-W821 HydrophobicContact CD1-CZ2 4.13Å; I799-W821 HydrophobicContact CG1-CZ2 4.04Å; I799-W821 HydrophobicContact CG2-CH2 3.49Å; I799-W821 VanDerWaalsContact CG2-CH2 3.49Å; I799-W821 HydrophobicContact CG2-CZ2 3.5Å; I799-W821 VanDerWaalsContact CG2-CZ2 3.5Å
800	S	39.7	Very low	39.2	Very low	91 Å²	91	53.7 Å²	53.7	64%	0.636	29%	0.294	S	S	*	.			trans	-133.1	77.2	-179.5	50.1	0	0	0	0	112.2
801	G	41.5	Very low	39.5	Very low	30 Å²	30	52.5 Å²	52.5	31%	0.309	27%	0.273	S	S	.	.	S	Bend	trans	168.1	169.7	171.8	0	0	0	0	0	116.7
802	L	40	Very low	39.6	Very low	133 Å²	133	50.7 Å²	50.7	70%	0.696	27%	0.27	S	S	*	.	S	Bend	trans	-73.4	134	176.2	-71.5	161.4	0	0	0	112
803	H	44.2	Very low	39.4	Very low	69 Å²	69	52.2 Å²	52.2	32%	0.319	27%	0.273	S	S	.	.			trans	33.4	106.9	159.9	-62.8	172.7	0	0	0	117.5	N773	N773-H803 PolarHBondContact N-CD2 3.24Å; N773-H803 VanDerWaalsContact N-CD2 3.3Å; N773-H803 PolarHBondContact N-NE2 2.99Å
804	G	41.2	Very low	39.1	Very low	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155.7	175.2	0	0	0	0	0	114	I771 L822	I771-G804 PolarHBondContact N-O 3.01Å; G804-L822 WeakPolarHBondContact CA-O 3.45Å
805	L	40.9	Very low	38.5	Very low	9 Å²	9	56.4 Å²	56.4	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116	166.3	174.6	67.2	0	0	0	108.8	L707 W770 L807 L822 A829	L707-L805 HydrophobicContact CD2-CD1 3.71Å; W770-L805 HydrophobicContact CE3-CB 4.03Å; W770-L805 HydrophobicContact CE3-CD1 4.38Å; W770-L805 HydrophobicContact CZ3-CB 4.36Å; L805-L807 HydrophobicContact CD2-CD2 4.13Å; L805-L807 HydrophobicContact CD2-CG 4.18Å; L805-L807 HydrophobicContact CG-CD2 4.41Å; L805-L807 HydrophobicContact CG-CG 4.27Å; L805-L822 HydrophobicContact CB-CD1 4.48Å; L805-A829 HydrophobicContact CD2-CB 4.29Å
806	V	45.1	Very low	38.6	Very low	9 Å²	9	58.3 Å²	58.3	6%	0.055	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.7	169	171.6	0	0	0	0	108.8	G768 I769 I771 I808 V819 W821	G768-V806 WeakPolarHBondContact CA-O 2.99Å; I769-V806 HydrophobicContact CB-CB 4.35Å; I769-V806 PolarHBondContact N-O 3.23Å; I769-V806 PolarHBondContact O-N 2.96Å; I771-V806 HydrophobicContact CD1-CG2 3.93Å; V806-I808 HydrophobicContact CG1-CD1 3.87Å; V806-I808 HydrophobicContact CG1-CG1 4.39Å; V806-V819 HydrophobicContact CG1-CB 4.43Å; V806-V819 HydrophobicContact CG1-CG1 3.93Å; V806-V819 HydrophobicContact CG1-CG2 3.73Å; V806-V819 HydrophobicContact CG2-CG1 4.12Å; V806-W821 HydrophobicContact CG2-CZ2 4.38Å
807	L	39.7	Very low	38.5	Very low	25 Å²	25	57.1 Å²	57.1	13%	0.131	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.2	170.5	-71.3	168.9	0	0	0	110	L766 L805 F820 L822	L766-L807 HydrophobicContact CD2-CD2 4.37Å; L805-L807 HydrophobicContact CD2-CD2 4.13Å; L805-L807 HydrophobicContact CD2-CG 4.18Å; L805-L807 HydrophobicContact CG-CD2 4.41Å; L805-L807 HydrophobicContact CG-CG 4.27Å; L807-F820 HydrophobicContact CB-CB 4.46Å; L807-F820 HydrophobicContact CB-CD2 4.06Å; L807-F820 WeakPolarHBondContact O-CD2 3.38Å; L807-L822 HydrophobicContact CD1-CD1 4.28Å
808	I	45.2	Very low	38.7	Very low	13 Å²	13	57.5 Å²	57.5	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.9	169.9	-59.8	96.4	0	0	0	108.9	V767 I769 M783 I785 V806	V767-I808 HydrophobicContact CB-CB 4.41Å; V767-I808 HydrophobicContact CB-CD1 4.2Å; V767-I808 HydrophobicContact CG1-CD1 4.22Å; V767-I808 PolarHBondContact O-N 3.29Å; I769-I808 HydrophobicContact CD1-CD1 3.94Å; I769-I808 HydrophobicContact CG1-CD1 4.04Å; M783-I808 HydrophobicContact CE-CD1 3.72Å; M783-I808 HydrophobicContact CE-CG1 3.86Å; M783-I808 HydrophobicContact SD-CD1 4.19Å; M783-I808 HydrophobicContact SD-CG1 4.08Å; I785-I808 HydrophobicContact CD1-CG2 3.73Å; I785-I808 HydrophobicContact CG1-CG2 4.4Å; V806-I808 HydrophobicContact CG1-CD1 3.87Å; V806-I808 HydrophobicContact CG1-CG1 4.39Å
809	L	40.3	Very low	38.9	Very low	34 Å²	34	51.3 Å²	51.3	18%	0.178	28%	0.283	C	S	.	.			trans	-107.8	113	180	-66	-175.3	0	0	0	111.4	L766 K811 F820 V877 F883	L766-L809 HydrophobicContact CD1-CD2 3.63Å; L766-L809 HydrophobicContact CD2-CD2 4.17Å; L766-L809 HydrophobicContact CG-CD2 3.92Å; L809-K811 PolarHBondContact O-N 3.1Å; L809-F820 HydrophobicContact CB-CE2 4.32Å; L809-F820 HydrophobicContact CD1-CE2 3.58Å; L809-F820 HydrophobicContact CD1-CZ 3.73Å; L809-F820 HydrophobicContact CG-CE2 3.76Å; L809-F820 HydrophobicContact CG-CZ 4.4Å; L809-V877 HydrophobicContact CD1-CG1 4.2Å; L809-F883 HydrophobicContact CD1-CZ 3.98Å
810	P	38.4	Very low	38.9	Very low	28 Å²	28	51.3 Å²	51.3	18%	0.182	28%	0.282	C	S	.	.			trans	-61.1	109.6	175.1	-25.1	34.2	0	0	0	112.2	K764 I765 Y787 P812	K764-P810 HydrophobicContact CB-CB 4.41Å; K764-P810 HydrophobicContact CB-CG 4.33Å; K764-P810 HydrophobicContact CG-CB 4.38Å; I765-P810 WeakPolarHBondContact O-CD 2.98Å; I765-P810 WeakPolarHBondContact O-CG 3.37Å; Y787-P810 HydrophobicContact CE1-CB 3.81Å; P810-P812 VanDerWaalsContact O-CD 3.23Å; P810-P812 WeakPolarHBondContact O-CD 3.13Å
811	K	37.6	Very low	38.8	Very low	30 Å²	30	49 Å²	49	13%	0.13	26%	0.26	C	S	.	.			trans	-90.9	101.8	168.6	-68.3	-172.1	-168.6	173.3	0	109	L809 Y813 I814 S816 D818	L809-K811 PolarHBondContact O-N 3.1Å; K811-Y813 PolarHBondContact O-N 3.03Å; K811-I814 HydrophobicContact CB-CB 4.18Å; K811-I814 HydrophobicContact CD-CB 3.76Å; K811-I814 HydrophobicContact CD-CD1 4.33Å; K811-I814 HydrophobicContact CD-CG2 4.02Å; K811-S816 PolarHBondContact NZ-OG 2.89Å; K811-D818 WeakPolarHBondContact CE-OD2 3.45Å; K811-D818 IonicContact NZ-OD1 3.07Å; K811-D818 PolarHBondContact NZ-OD1 2.84Å; K811-D818 IonicContact NZ-OD2 2.65Å; K811-D818 PolarHBondContact NZ-OD2 3.38Å
812	P	37.7	Very low	38.6	Very low	59 Å²	59	47.7 Å²	47.7	38%	0.383	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	13.7	-174.6	30.8	-37.3	0	0	0	115	P810	P810-P812 VanDerWaalsContact O-CD 3.23Å; P810-P812 WeakPolarHBondContact O-CD 3.13Å
813	Y	33.7	Very low	38.5	Very low	170 Å²	170	47.5 Å²	47.5	67%	0.667	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-155.1	7.8	-173.5	-65	-66.2	0	0	0	114.7	K811	K811-Y813 PolarHBondContact O-N 3.03Å
814	I	31.1	Very low	38.3	Very low	82 Å²	82	48.7 Å²	48.7	42%	0.421	24%	0.244	S	C	.	.			trans	-143.1	124.1	-177.7	-60.4	179	0	0	0	109	K811 S816	K811-I814 HydrophobicContact CB-CB 4.18Å; K811-I814 HydrophobicContact CD-CB 3.76Å; K811-I814 HydrophobicContact CD-CD1 4.33Å; K811-I814 HydrophobicContact CD-CG2 4.02Å; I814-S816 PolarHBondContact O-N 2.81Å
815	L	29.3	Very low	38	Very low	134 Å²	134	50.8 Å²	50.8	70%	0.702	27%	0.266	S	S	*	.			trans	-80.2	88.3	175.7	-58.3	91.7	0	0	0	109.5	F793	F793-L815 HydrophobicContact CE1-CB 3.75Å; F793-L815 HydrophobicContact CE1-CD2 4.36Å; F793-L815 HydrophobicContact CE1-CG 4.28Å; F793-L815 HydrophobicContact CZ-CB 3.62Å; F793-L815 HydrophobicContact CZ-CD2 3.79Å; F793-L815 HydrophobicContact CZ-CG 3.66Å
816	S	37.5	Very low	37.9	Very low	42 Å²	42	51.3 Å²	51.3	29%	0.294	27%	0.269	S	S	.	.			trans	-153.7	137.2	173.4	69.9	0	0	0	0	114.9	K811 I814 D818	K811-S816 PolarHBondContact NZ-OG 2.89Å; I814-S816 PolarHBondContact O-N 2.81Å; S816-D818 VanDerWaalsContact C-N 3.26Å; S816-D818 WeakPolarHBondContact CB-OD1 3.33Å; S816-D818 PolarHBondContact O-N 2.79Å; S816-D818 PolarHBondContact OG-OD1 3.35Å
817	C	31.7	Very low	37.6	Very low	53 Å²	53	60.1 Å²	60.1	36%	0.358	31%	0.309	S	S	.	.			trans	-77.5	65.7	175.6	-63.5	0	0	0	0	111.4	C795 Y797 V819	C795-C817 HydrophobicContact CB-CB 3.82Å; C795-C817 WeakPolarHBondContact CB-SG 3.11Å; C795-C817 WeakPolarHBondContact SG-CB 3.08Å; C795-C817 CovalentContact SG-SG 2.05Å; C795-C817 PolarHBondContact SG-SG 2.89Å; Y797-C817 HydrophobicContact CE1-CB 4.02Å; Y797-C817 WeakPolarHBondContact OH-CB 3.39Å; C817-V819 PolarHBondContact O-N 3.19Å; C817-V819 VanDerWaalsContact O-N 3.1Å
818	D	40.9	Very low	37.7	Very low	46 Å²	46	63 Å²	63	25%	0.246	33%	0.325	C	S	.	.			trans	-77.8	87.2	176.8	-75	42.6	0	0	0	111	K811 S816 F820	K811-D818 WeakPolarHBondContact CE-OD2 3.45Å; K811-D818 IonicContact NZ-OD1 3.07Å; K811-D818 PolarHBondContact NZ-OD1 2.84Å; K811-D818 IonicContact NZ-OD2 2.65Å; K811-D818 PolarHBondContact NZ-OD2 3.38Å; S816-D818 VanDerWaalsContact C-N 3.26Å; S816-D818 WeakPolarHBondContact CB-OD1 3.33Å; S816-D818 PolarHBondContact O-N 2.79Å; S816-D818 PolarHBondContact OG-OD1 3.35Å; D818-F820 HydrophobicContact CB-CE2 4.26Å; D818-F820 HydrophobicContact CB-CZ 4.25Å
819	V	40.2	Very low	37.2	Very low	11 Å²	11	64.7 Å²	64.7	7%	0.067	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127	164.1	159	0	0	0	0	110.6	Y797 V806 C817 W821	Y797-V819 HydrophobicContact CD1-CB 4.18Å; Y797-V819 HydrophobicContact CD1-CG2 4.02Å; Y797-V819 HydrophobicContact CD2-CG2 4.31Å; Y797-V819 HydrophobicContact CE1-CB 3.74Å; Y797-V819 HydrophobicContact CE1-CG2 3.39Å; Y797-V819 HydrophobicContact CE2-CG2 3.72Å; Y797-V819 HydrophobicContact CG-CG2 4.43Å; Y797-V819 WeakPolarHBondContact OH-CG2 3.42Å; V806-V819 HydrophobicContact CG1-CB 4.43Å; V806-V819 HydrophobicContact CG1-CG1 3.93Å; V806-V819 HydrophobicContact CG1-CG2 3.73Å; V806-V819 HydrophobicContact CG2-CG1 4.12Å; C817-V819 PolarHBondContact O-N 3.19Å; C817-V819 VanDerWaalsContact O-N 3.1Å; V819-W821 HydrophobicContact CG1-CG 4.41Å
820	F	40.6	Very low	37.3	Very low	9 Å²	9	68.1 Å²	68.1	4%	0.039	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.8	171.2	-55.3	-87.7	0	0	0	108.9	L807 L809 D818 M854 F856 F883	L807-F820 HydrophobicContact CB-CB 4.46Å; L807-F820 HydrophobicContact CB-CD2 4.06Å; L807-F820 WeakPolarHBondContact O-CD2 3.38Å; L809-F820 HydrophobicContact CB-CE2 4.32Å; L809-F820 HydrophobicContact CD1-CE2 3.58Å; L809-F820 HydrophobicContact CD1-CZ 3.73Å; L809-F820 HydrophobicContact CG-CE2 3.76Å; L809-F820 HydrophobicContact CG-CZ 4.4Å; D818-F820 HydrophobicContact CB-CE2 4.26Å; D818-F820 HydrophobicContact CB-CZ 4.25Å; F820-M854 HydrophobicContact CB-CE 4.34Å; F820-M854 HydrophobicContact CD1-CE 3.82Å; F820-F856 HydrophobicContact CD1-CE1 4.11Å; F820-F856 HydrophobicContact CD1-CE2 4.41Å; F820-F856 AromaticContact CD1-CZ 3.84Å; F820-F856 HydrophobicContact CD1-CZ 3.84Å; F820-F856 AromaticContact CE1-CE1 3.55Å; F820-F856 HydrophobicContact CE1-CE1 3.55Å; F820-F856 AromaticContact CE1-CZ 3.55Å; F820-F856 HydrophobicContact CE1-CZ 3.55Å; F820-F856 HydrophobicContact CZ-CE1 4.39Å; F820-F883 HydrophobicContact CE1-CE2 4.13Å; F820-F883 AromaticContact CE1-CZ 3.63Å; F820-F883 HydrophobicContact CE1-CZ 3.63Å; F820-F883 HydrophobicContact CZ-CE2 4.27Å; F820-F883 AromaticContact CZ-CZ 3.73Å; F820-F883 HydrophobicContact CZ-CZ 3.73Å
821	W	37.7	Very low	37.5	Very low	43 Å²	43	68.3 Å²	68.3	16%	0.163	36%	0.355	C	S	.	.			trans	-80.3	127.7	169.6	-92.3	95.2	0	0	0	110.9	I799 V806 V819 M855	I799-W821 HydrophobicContact CB-CZ2 4.28Å; I799-W821 HydrophobicContact CD1-CZ2 4.13Å; I799-W821 HydrophobicContact CG1-CZ2 4.04Å; I799-W821 HydrophobicContact CG2-CH2 3.49Å; I799-W821 VanDerWaalsContact CG2-CH2 3.49Å; I799-W821 HydrophobicContact CG2-CZ2 3.5Å; I799-W821 VanDerWaalsContact CG2-CZ2 3.5Å; V806-W821 HydrophobicContact CG2-CZ2 4.38Å; V819-W821 HydrophobicContact CG1-CG 4.41Å; W821-M855 HydrophobicContact CB-CB 4.2Å
822	L	38.6	Very low	38.1	Very low	2 Å²	2	70 Å²	70	1%	0.01	37%	0.365	C	S	.	.			trans	-119.7	92.8	177.9	-69.6	160.2	0	0	0	107.8	G804 L805 L807 L826 Y845 L852 M854	G804-L822 WeakPolarHBondContact CA-O 3.45Å; L805-L822 HydrophobicContact CB-CD1 4.48Å; L807-L822 HydrophobicContact CD1-CD1 4.28Å; L822-L826 HydrophobicContact CB-CD1 3.87Å; L822-L826 HydrophobicContact CD1-CD1 3.63Å; L822-L826 HydrophobicContact CD2-CD1 4.33Å; L822-L826 HydrophobicContact CG-CD1 4.13Å; L822-Y845 HydrophobicContact CD1-CE1 4.29Å; L822-L852 HydrophobicContact CD2-CD2 3.67Å; L822-M854 HydrophobicContact CD2-CG 4.36Å
823	R	37.9	Very low	38.4	Very low	130 Å²	130	70.8 Å²	70.8	49%	0.491	36%	0.362	S	S	.	.	S	Bend	trans	-64.2	137.3	172.3	-92.2	-176.1	171.3	-175.8	-3.1	109.7
824	N	39.2	Very low	39.2	Very low	93 Å²	93	63.2 Å²	63.2	50%	0.497	33%	0.334	S	S	.	.	S	Bend	trans	76.2	123.8	-171.1	-46.4	-48.6	0	0	0	112.6	L826	N824-L826 PolarHBondContact O-N 2.69Å
825	G	34.4	Very low	40.3	Very low	45 Å²	45	62.1 Å²	62.1	46%	0.464	33%	0.334	S	S	.	.			trans	-63.2	128.6	-173.6	0	0	0	0	0	113.5
826	L	38.7	Very low	41.5	Very low	19 Å²	19	58 Å²	58	10%	0.099	31%	0.312	C	S	.	.			trans	-94.1	115.5	-178.4	-67.4	160.9	0	0	0	110.5	W770 L822 N824 Y845 F847	W770-L826 WeakPolarHBondContact CH2-O 3.27Å; W770-L826 VanDerWaalsContact CZ3-O 3.27Å; W770-L826 WeakPolarHBondContact CZ3-O 3.47Å; L822-L826 HydrophobicContact CB-CD1 3.87Å; L822-L826 HydrophobicContact CD1-CD1 3.63Å; L822-L826 HydrophobicContact CD2-CD1 4.33Å; L822-L826 HydrophobicContact CG-CD1 4.13Å; N824-L826 PolarHBondContact O-N 2.69Å; L826-Y845 HydrophobicContact CD1-CD1 3.79Å; L826-Y845 HydrophobicContact CD1-CE1 4.14Å; L826-Y845 HydrophobicContact CD2-CD1 4.2Å; L826-Y845 HydrophobicContact CD2-CG 4.33Å; L826-F847 HydrophobicContact CD2-CD1 4.44Å; L826-F847 HydrophobicContact CD2-CE1 3.7Å; L826-F847 HydrophobicContact CD2-CZ 3.88Å
827	Q	39.6	Very low	42	Very low	195 Å²	195	62.4 Å²	62.4	91%	0.911	34%	0.343	S	S	*	.	S	Bend	trans	-78.4	-27.6	179	-70.9	-176	-39.5	0	0	113.6
828	D	40.7	Very low	43	Very low	86 Å²	86	62 Å²	62	46%	0.46	34%	0.34	S	S	.	.			trans	-140.4	61.8	-168	-108.7	-61.6	0	0	0	113.3	K830	D828-K830 VanDerWaalsContact CG-NZ 3.34Å; D828-K830 WeakPolarHBondContact OD1-CE 3.42Å; D828-K830 IonicContact OD1-NZ 3.19Å; D828-K830 PolarHBondContact OD1-NZ 2.72Å
829	A	35	Very low	43.4	Very low	48 Å²	48	63.6 Å²	63.6	40%	0.397	35%	0.345	S	S	.	.			trans	-77.1	119.8	171.8	0	0	0	0	0	111	L805 Y845	L805-A829 HydrophobicContact CD2-CB 4.29Å; A829-Y845 HydrophobicContact CB-CD1 3.82Å; A829-Y845 HydrophobicContact CB-CE1 4.32Å
830	K	42.9	Very low	44.1	Very low	106 Å²	106	64 Å²	64	46%	0.461	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140	179.2	-65.4	-175.9	-179.4	84.4	0	110.8	D828 V843 Y844	D828-K830 VanDerWaalsContact CG-NZ 3.34Å; D828-K830 WeakPolarHBondContact OD1-CE 3.42Å; D828-K830 IonicContact OD1-NZ 3.19Å; D828-K830 PolarHBondContact OD1-NZ 2.72Å; K830-V843 WeakPolarHBondContact O-CA 3.07Å; K830-Y844 HydrophobicContact CB-CD2 4.07Å; K830-Y844 PolarHBondContact N-O 3.07Å; K830-Y844 VanDerWaalsContact O-CD2 3.3Å; K830-Y844 WeakPolarHBondContact O-CD2 3.44Å; K830-Y844 PolarHBondContact O-N 2.94Å
831	V	43.2	Very low	44.6	Very low	31 Å²	31	65.9 Å²	65.9	19%	0.188	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.5	171.8	-174.7	0	0	0	0	107.6	M698 L766 Y841 C842 V843	M698-V831 WeakPolarHBondContact CE-O 3.3Å; L766-V831 HydrophobicContact CD2-CG2 4.33Å; V831-Y841 HydrophobicContact CG1-CD1 4.26Å; V831-C842 WeakPolarHBondContact CA-O 3.38Å; V831-V843 HydrophobicContact CG1-CG2 4.47Å; V831-V843 HydrophobicContact CG2-CG1 4.26Å; V831-V843 HydrophobicContact CG2-CG2 4.22Å
832	I	50.3	Low	45.1	Very low	67 Å²	67	63.8 Å²	63.8	34%	0.344	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.9	172.8	-52.2	165.8	0	0	0	108.6	C842 Y844 Y894	I832-C842 PolarHBondContact N-O 3Å; I832-C842 PolarHBondContact O-N 3.12Å; I832-Y844 HydrophobicContact CB-CE2 3.65Å; I832-Y844 HydrophobicContact CD1-CD2 4.34Å; I832-Y844 HydrophobicContact CD1-CE2 3.64Å; I832-Y844 HydrophobicContact CG1-CD2 4.43Å; I832-Y844 HydrophobicContact CG1-CE2 3.6Å; I832-Y894 HydrophobicContact CD1-CE2 4.37Å
833	K	43.8	Very low	45.6	Very low	75 Å²	75	64.3 Å²	64.3	33%	0.326	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	137.2	177.7	-157.4	165.5	-169.6	150.6	0	110.5	N701 E703	N701-K833 PolarHBondContact OD1-NZ 3Å; E703-K833 IonicContact OE2-NZ 3.86Å
834	S	50.2	Low	45.9	Very low	10 Å²	10	58.8 Å²	58.8	7%	0.07	33%	0.328	C	S	.	.			trans	-63	150.1	174.2	-179.9	0	0	0	0	110.6	D836 K840 Y894	S834-D836 PolarHBondContact O-N 3.38Å; S834-D836 PolarHBondContact OG-N 2.84Å; S834-K840 WeakPolarHBondContact CB-O 3.41Å; S834-K840 PolarHBondContact N-O 2.79Å; S834-Y894 PolarHBondContact OG-O 3.49Å
835	S	53.6	Low	46.2	Very low	60 Å²	60	54.8 Å²	54.8	42%	0.42	31%	0.306	S	S	.	.	S	Bend	trans	-67.8	-23.2	171.9	37.6	0	0	0	0	112.9	S837 Y894	S835-S837 PolarHBondContact O-N 2.79Å; S835-Y894 PolarHBondContact OG-N 2.93Å; S835-Y894 PolarHBondContact OG-O 3.01Å
836	D	55	Low	46.5	Very low	46 Å²	46	56.9 Å²	56.9	25%	0.246	31%	0.307	C	S	.	.	S	Bend	trans	-76.3	120.2	175.7	-62.5	-37.3	0	0	0	110.2	S834 S838 K840 H895 C896	S834-D836 PolarHBondContact O-N 3.38Å; S834-D836 PolarHBondContact OG-N 2.84Å; D836-S838 PolarHBondContact O-N 3.28Å; D836-S838 PolarHBondContact O-OG 3.03Å; D836-K840 IonicContact OD2-NZ 3.13Å; D836-H895 VanDerWaalsContact CG-ND1 3.34Å; D836-H895 IonicContact OD1-CE1 2.72Å; D836-H895 PolarHBondContact OD1-CE1 3.3Å; D836-H895 IonicContact OD1-ND1 3.19Å; D836-H895 PolarHBondContact OD1-ND1 3.05Å; D836-H895 IonicContact OD2-ND1 2.66Å; D836-H895 PolarHBondContact OD2-ND1 3.3Å; D836-C896 PolarHBondContact OD2-N 2.05Å
837	S	48.6	Very low	46.4	Very low	135 Å²	135	57.2 Å²	57.2	94%	0.944	31%	0.307	S	S	*	.	S	Bend	trans	-49.8	-14.1	-172.7	60	0	0	0	0	117.6	S835	S835-S837 PolarHBondContact O-N 2.79Å
838	S	51.5	Low	46.3	Very low	44 Å²	44	53.9 Å²	53.9	31%	0.308	31%	0.305	S	S	.	.	S	Bend	trans	-51.1	148.4	161	52.8	0	0	0	0	113.8	D836 K840	D836-S838 PolarHBondContact O-N 3.28Å; D836-S838 PolarHBondContact O-OG 3.03Å; S838-K840 PolarHBondContact O-N 2.95Å; S838-K840 VanDerWaalsContact OG-CD 3.26Å; S838-K840 WeakPolarHBondContact OG-CD 3.49Å; S838-K840 WeakPolarHBondContact OG-CE 3.24Å; S838-K840 WeakPolarHBondContact OG-CG 3.29Å
839	K	49.4	Very low	45.9	Very low	80 Å²	80	52.8 Å²	52.8	35%	0.348	30%	0.302	S	S	.	.	S	Bend	trans	-75.4	69.7	173.1	-79	177.1	-80	154.7	0	111.4	E879	K839-E879 HydrophobicContact CB-CG 3.62Å; K839-E879 VanDerWaalsContact CE-CD 3.4Å; K839-E879 WeakPolarHBondContact CE-OE1 3.27Å; K839-E879 WeakPolarHBondContact CE-OE2 3.42Å; K839-E879 IonicContact NZ-OE1 3.46Å; K839-E879 PolarHBondContact NZ-OE1 3.03Å; K839-E879 IonicContact NZ-OE2 3.41Å; K839-E879 PolarHBondContact NZ-OE2 3.31Å
840	K	55.5	Low	45.8	Very low	20 Å²	20	56.7 Å²	56.7	9%	0.087	33%	0.326	C	S	.	.			trans	-113.5	135.3	175.6	-57.7	177.4	-165.3	163.4	0	110.1	S834 D836 S838 V877 C896	S834-K840 WeakPolarHBondContact CB-O 3.41Å; S834-K840 PolarHBondContact N-O 2.79Å; D836-K840 IonicContact OD2-NZ 3.13Å; S838-K840 PolarHBondContact O-N 2.95Å; S838-K840 VanDerWaalsContact OG-CD 3.26Å; S838-K840 WeakPolarHBondContact OG-CD 3.49Å; S838-K840 WeakPolarHBondContact OG-CE 3.24Å; S838-K840 WeakPolarHBondContact OG-CG 3.29Å; K840-V877 CarbonylContact C-O 3.57Å; K840-V877 VanDerWaalsContact CA-O 3.29Å; K840-V877 WeakPolarHBondContact CA-O 3.03Å; K840-C896 HydrophobicContact CD-CB 3.32Å; K840-C896 PolarHBondContact NZ-O 3.46Å
841	Y	51.1	Low	45.4	Very low	48 Å²	48	55.4 Å²	55.4	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.1	173.8	-58.8	-93.4	0	0	0	108.7	E703 V831 C876 V877	E703-Y841 PolarHBondContact OE1-OH 3.4Å; V831-Y841 HydrophobicContact CG1-CD1 4.26Å; Y841-C876 CarbonylContact O-C 3.24Å; Y841-C876 WeakPolarHBondContact O-CA 3.49Å; Y841-V877 PolarHBondContact N-O 3.43Å; Y841-V877 PolarHBondContact O-N 2.91Å
842	C	48.2	Very low	45.1	Very low	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.7	165	-82.8	0	0	0	0	109.1	V831 I832 Y844 W875 C876	V831-C842 WeakPolarHBondContact CA-O 3.38Å; I832-C842 PolarHBondContact N-O 3Å; I832-C842 PolarHBondContact O-N 3.12Å; C842-Y844 HydrophobicContact CB-CE1 3.71Å; C842-Y844 HydrophobicContact CB-CE2 4.09Å; C842-Y844 WeakPolarHBondContact CB-OH 3.35Å; C842-W875 WeakPolarHBondContact CA-O 3.03Å; C842-C876 PolarHBondContact SG-SG 2.93Å
843	V	48	Very low	44.3	Very low	13 Å²	13	55.3 Å²	55.3	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.5	166.3	-168.5	0	0	0	0	107.5	K830 V831 Y845 A874 W875 V877	K830-V843 WeakPolarHBondContact O-CA 3.07Å; V831-V843 HydrophobicContact CG1-CG2 4.47Å; V831-V843 HydrophobicContact CG2-CG1 4.26Å; V831-V843 HydrophobicContact CG2-CG2 4.22Å; V843-Y845 HydrophobicContact CB-CE2 4.46Å; V843-Y845 HydrophobicContact CG1-CD1 4.48Å; V843-Y845 HydrophobicContact CG1-CE1 3.79Å; V843-Y845 HydrophobicContact CG1-CE2 3.96Å; V843-Y845 VanDerWaalsContact CG1-CZ 3.47Å; V843-Y845 WeakPolarHBondContact CG1-OH 3.33Å; V843-A874 WeakPolarHBondContact O-CA 3.29Å; V843-A874 VanDerWaalsContact O-CB 3.28Å; V843-A874 WeakPolarHBondContact O-CB 3.11Å; V843-W875 PolarHBondContact N-O 3.03Å; V843-W875 PolarHBondContact O-N 3.23Å; V843-V877 HydrophobicContact CG2-CG2 4.02Å
844	Y	46	Very low	43.8	Very low	13 Å²	13	52.2 Å²	52.2	5%	0.051	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148.3	176.9	-29.6	-95.4	0	0	0	108.6	K830 I832 C842 A874 Y894	K830-Y844 HydrophobicContact CB-CD2 4.07Å; K830-Y844 PolarHBondContact N-O 3.07Å; K830-Y844 VanDerWaalsContact O-CD2 3.3Å; K830-Y844 WeakPolarHBondContact O-CD2 3.44Å; K830-Y844 PolarHBondContact O-N 2.94Å; I832-Y844 HydrophobicContact CB-CE2 3.65Å; I832-Y844 HydrophobicContact CD1-CD2 4.34Å; I832-Y844 HydrophobicContact CD1-CE2 3.64Å; I832-Y844 HydrophobicContact CG1-CD2 4.43Å; I832-Y844 HydrophobicContact CG1-CE2 3.6Å; C842-Y844 HydrophobicContact CB-CE1 3.71Å; C842-Y844 HydrophobicContact CB-CE2 4.09Å; C842-Y844 WeakPolarHBondContact CB-OH 3.35Å; Y844-A874 HydrophobicContact CD1-CB 3.63Å; Y844-A874 HydrophobicContact CE1-CB 4.25Å; Y844-A874 HydrophobicContact CG-CB 4.37Å; Y844-Y894 HydrophobicContact CD1-CE1 4.25Å; Y844-Y894 AromaticContact CE1-CD1 3.6Å; Y844-Y894 HydrophobicContact CE1-CD1 3.6Å; Y844-Y894 HydrophobicContact CE1-CD2 4.21Å; Y844-Y894 AromaticContact CE1-CE1 3.41Å; Y844-Y894 HydrophobicContact CE1-CE1 3.41Å; Y844-Y894 VanDerWaalsContact CE1-CE1 3.41Å; Y844-Y894 HydrophobicContact CE1-CE2 4.04Å; Y844-Y894 AromaticContact CE1-CG 3.99Å; Y844-Y894 HydrophobicContact CE1-CG 3.99Å; Y844-Y894 AromaticContact CE1-CZ 3.62Å; Y844-Y894 AromaticContact CZ-CD2 3.91Å; Y844-Y894 AromaticContact CZ-CE1 3.96Å; Y844-Y894 AromaticContact CZ-CE2 3.69Å; Y844-Y894 AromaticContact CZ-CZ 3.69Å; Y844-Y894 WeakPolarHBondContact OH-CD2 3.49Å; Y844-Y894 WeakPolarHBondContact OH-CE2 3.22Å
845	Y	44	Very low	42.7	Very low	9 Å²	9	55.1 Å²	55.1	4%	0.035	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.6	166.7	-17.9	-118.5	0	0	0	107.8	L822 L826 A829 V843 F847 V872 L873 W875	L822-Y845 HydrophobicContact CD1-CE1 4.29Å; L826-Y845 HydrophobicContact CD1-CD1 3.79Å; L826-Y845 HydrophobicContact CD1-CE1 4.14Å; L826-Y845 HydrophobicContact CD2-CD1 4.2Å; L826-Y845 HydrophobicContact CD2-CG 4.33Å; A829-Y845 HydrophobicContact CB-CD1 3.82Å; A829-Y845 HydrophobicContact CB-CE1 4.32Å; V843-Y845 HydrophobicContact CB-CE2 4.46Å; V843-Y845 HydrophobicContact CG1-CD1 4.48Å; V843-Y845 HydrophobicContact CG1-CE1 3.79Å; V843-Y845 HydrophobicContact CG1-CE2 3.96Å; V843-Y845 VanDerWaalsContact CG1-CZ 3.47Å; V843-Y845 WeakPolarHBondContact CG1-OH 3.33Å; Y845-F847 VanDerWaalsContact CB-CE2 3.48Å; Y845-F847 AromaticContact CD2-CE2 3.7Å; Y845-F847 HydrophobicContact CD2-CE2 3.7Å; Y845-F847 AromaticContact CD2-CZ 3.88Å; Y845-F847 HydrophobicContact CD2-CZ 3.88Å; Y845-F847 AromaticContact CG-CE2 3.88Å; Y845-F847 HydrophobicContact CG-CE2 3.88Å; Y845-F847 AromaticContact CG-CZ 3.91Å; Y845-F847 HydrophobicContact CG-CZ 3.91Å; Y845-F847 VanDerWaalsContact O-CD2 3.25Å; Y845-F847 WeakPolarHBondContact O-CD2 3.34Å; Y845-F847 WeakPolarHBondContact O-CE2 3.34Å; Y845-V872 WeakPolarHBondContact O-CA 3.42Å; Y845-L873 PolarHBondContact N-O 3.21Å; Y845-L873 PolarHBondContact O-N 3.06Å; Y845-L873 VanDerWaalsContact O-N 3.13Å; Y845-W875 AromaticContact CE2-CE2 3.65Å; Y845-W875 AromaticContact CE2-CZ2 3.51Å; Y845-W875 HydrophobicContact CE2-CZ2 3.51Å; Y845-W875 AromaticContact CE2-NE1 3.5Å; Y845-W875 AromaticContact CZ-CZ2 3.85Å; Y845-W875 AromaticContact CZ-NE1 3.7Å; Y845-W875 PolarHBondContact OH-NE1 3.42Å
846	D	41	Very low	41.5	Very low	90 Å²	90	53.8 Å²	53.8	48%	0.481	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.2	176.8	-151.1	-30.1	0	0	0	108.6	N871 V872	D846-N871 WeakPolarHBondContact OD1-CB 3.34Å; D846-V872 HydrophobicContact CB-CG2 4.49Å
847	F	37.4	Very low	40.2	Very low	25 Å²	25	55.6 Å²	55.6	11%	0.11	35%	0.346	C	S	.	.			trans	-116.4	130.1	-172.9	-70.2	-90	0	0	0	112.9	L826 Y845 L852 N871 L873	L826-F847 HydrophobicContact CD2-CD1 4.44Å; L826-F847 HydrophobicContact CD2-CE1 3.7Å; L826-F847 HydrophobicContact CD2-CZ 3.88Å; Y845-F847 VanDerWaalsContact CB-CE2 3.48Å; Y845-F847 AromaticContact CD2-CE2 3.7Å; Y845-F847 HydrophobicContact CD2-CE2 3.7Å; Y845-F847 AromaticContact CD2-CZ 3.88Å; Y845-F847 HydrophobicContact CD2-CZ 3.88Å; Y845-F847 AromaticContact CG-CE2 3.88Å; Y845-F847 HydrophobicContact CG-CE2 3.88Å; Y845-F847 AromaticContact CG-CZ 3.91Å; Y845-F847 HydrophobicContact CG-CZ 3.91Å; Y845-F847 VanDerWaalsContact O-CD2 3.25Å; Y845-F847 WeakPolarHBondContact O-CD2 3.34Å; Y845-F847 WeakPolarHBondContact O-CE2 3.34Å; F847-L852 HydrophobicContact CD1-CD1 4.33Å; F847-L852 HydrophobicContact CE1-CD1 3.71Å; F847-L852 HydrophobicContact CE1-CD2 3.78Å; F847-L852 HydrophobicContact CE1-CG 3.83Å; F847-L852 HydrophobicContact CE2-CD1 4.37Å; F847-L852 HydrophobicContact CZ-CD1 3.74Å; F847-L852 HydrophobicContact CZ-CD2 3.84Å; F847-L852 HydrophobicContact CZ-CG 4.16Å; F847-N871 WeakPolarHBondContact CB-O 3.43Å; F847-N871 PolarHBondContact N-O 3.08Å; F847-N871 WeakPolarHBondContact O-CB 3.37Å; F847-L873 HydrophobicContact CD2-CB 3.74Å; F847-L873 HydrophobicContact CD2-CD1 3.65Å; F847-L873 HydrophobicContact CD2-CG 3.69Å; F847-L873 HydrophobicContact CE2-CB 3.66Å; F847-L873 HydrophobicContact CE2-CD1 3.95Å; F847-L873 HydrophobicContact CE2-CG 4.08Å; F847-L873 HydrophobicContact CG-CD1 4.06Å; F847-L873 HydrophobicContact CG-CG 4.45Å
848	S	36	Very low	39.3	Very low	125 Å²	125	53 Å²	53	87%	0.874	34%	0.34	S	S	*	.	S	Bend	trans	-98.2	5.6	163.4	55.4	0	0	0	0	113.2
849	V	32.4	Very low	38.2	Very low	64 Å²	64	54.6 Å²	54.6	39%	0.388	35%	0.349	S	S	.	.	S	Bend	trans	-126.6	134.2	-169.6	-166.5	0	0	0	0	111.1	S851	V849-S851 VanDerWaalsContact C-N 3.35Å; V849-S851 PolarHBondContact O-N 2.94Å
850	S	33.3	Very low	37.3	Very low	130 Å²	130	56.6 Å²	56.6	91%	0.909	36%	0.359	S	S	*	.	S	Bend	trans	-82.8	3.5	-168	51	0	0	0	0	116.2
851	S	34.5	Very low	36.1	Very low	78 Å²	78	57.7 Å²	57.7	55%	0.545	37%	0.365	S	S	.	.			trans	-154.4	125.1	-179.4	57.6	0	0	0	0	113	V849	V849-S851 VanDerWaalsContact C-N 3.35Å; V849-S851 PolarHBondContact O-N 2.94Å
852	L	37.8	Very low	35.2	Very low	31 Å²	31	62.8 Å²	62.8	16%	0.162	39%	0.388	C	S	.	.			trans	-93.6	129.4	158.6	-70.3	112	0	0	0	110	L822 F847 L873	L822-L852 HydrophobicContact CD2-CD2 3.67Å; F847-L852 HydrophobicContact CD1-CD1 4.33Å; F847-L852 HydrophobicContact CE1-CD1 3.71Å; F847-L852 HydrophobicContact CE1-CD2 3.78Å; F847-L852 HydrophobicContact CE1-CG 3.83Å; F847-L852 HydrophobicContact CE2-CD1 4.37Å; F847-L852 HydrophobicContact CZ-CD1 3.74Å; F847-L852 HydrophobicContact CZ-CD2 3.84Å; F847-L852 HydrophobicContact CZ-CG 4.16Å; L852-L873 HydrophobicContact CD1-CD1 3.94Å
853	D	33.3	Very low	34.6	Very low	65 Å²	65	63.6 Å²	63.6	35%	0.348	40%	0.395	S	S	.	.			trans	-98.6	118.4	152.2	-83	-45.7	0	0	0	107.7	H860	D853-H860 IonicContact OD1-ND1 2.86Å
854	M	31.9	Very low	34	Very low	10 Å²	10	64.1 Å²	64.1	5%	0.049	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.6	169.4	-67.5	178.7	70.8	0	0	109.1	F820 L822 F856 I861 A863 W875	F820-M854 HydrophobicContact CB-CE 4.34Å; F820-M854 HydrophobicContact CD1-CE 3.82Å; L822-M854 HydrophobicContact CD2-CG 4.36Å; M854-F856 HydrophobicContact CB-CE2 4.37Å; M854-F856 HydrophobicContact CE-CE2 4.06Å; M854-F856 HydrophobicContact CE-CZ 4.48Å; M854-I861 PolarHBondContact O-N 3.33Å; M854-I861 VanDerWaalsContact O-N 3.08Å; M854-A863 HydrophobicContact SD-CB 3.67Å; M854-W875 HydrophobicContact CE-CH2 4.47Å; M854-W875 HydrophobicContact CE-CZ2 4.47Å; M854-W875 HydrophobicContact SD-CH2 3.49Å; M854-W875 WeakPolarHBondContact SD-CH2 3.42Å; M854-W875 HydrophobicContact SD-CZ2 4.02Å; M854-W875 HydrophobicContact SD-CZ3 4.15Å
855	M	27	Very low	34.2	Very low	72 Å²	72	65.1 Å²	65.1	36%	0.355	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.6	167.9	-68.8	177.3	165.5	0	0	109.6	W821	W821-M855 HydrophobicContact CB-CB 4.2Å
856	F	30	Very low	34.4	Very low	32 Å²	32	65.5 Å²	65.5	14%	0.14	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	107.9	168.4	-83.6	-105.6	0	0	0	107.7	F820 M854 G858 T859 I861	F820-F856 HydrophobicContact CD1-CE1 4.11Å; F820-F856 HydrophobicContact CD1-CE2 4.41Å; F820-F856 AromaticContact CD1-CZ 3.84Å; F820-F856 HydrophobicContact CD1-CZ 3.84Å; F820-F856 AromaticContact CE1-CE1 3.55Å; F820-F856 HydrophobicContact CE1-CE1 3.55Å; F820-F856 AromaticContact CE1-CZ 3.55Å; F820-F856 HydrophobicContact CE1-CZ 3.55Å; F820-F856 HydrophobicContact CZ-CE1 4.39Å; M854-F856 HydrophobicContact CB-CE2 4.37Å; M854-F856 HydrophobicContact CE-CE2 4.06Å; M854-F856 HydrophobicContact CE-CZ 4.48Å; F856-G858 PolarHBondContact O-N 3.41Å; F856-T859 PolarHBondContact N-O 3.4Å; F856-T859 PolarHBondContact O-N 2.89Å; F856-T859 PolarHBondContact O-OG1 2.85Å; F856-I861 HydrophobicContact CB-CD1 3.72Å; F856-I861 HydrophobicContact CB-CG1 4.12Å; F856-I861 HydrophobicContact CD1-CD1 4.36Å; F856-I861 HydrophobicContact CD2-CB 3.78Å; F856-I861 HydrophobicContact CD2-CD1 3.9Å; F856-I861 HydrophobicContact CD2-CG1 4.06Å; F856-I861 HydrophobicContact CD2-CG2 4.5Å; F856-I861 HydrophobicContact CE2-CB 4.19Å; F856-I861 HydrophobicContact CE2-CG2 4.47Å; F856-I861 HydrophobicContact CG-CD1 3.78Å; F856-I861 HydrophobicContact CG-CG1 4.31Å
857	G	28	Very low	34.8	Very low	83 Å²	83	67.3 Å²	67.3	86%	0.856	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	51.7	171.5	0	0	0	0	0	114.8	T859	G857-T859 VanDerWaalsContact C-N 3.27Å; G857-T859 PolarHBondContact O-N 3.3Å
858	G	28.6	Very low	35.5	Very low	81 Å²	81	67.9 Å²	67.9	84%	0.835	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-3.7	-177.7	0	0	0	0	0	116	F856	F856-G858 PolarHBondContact O-N 3.41Å
859	T	27.7	Very low	36.4	Very low	78 Å²	78	66 Å²	66	48%	0.479	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.2	176.8	67.2	0	0	0	0	112.3	F856 G857 I861	F856-T859 PolarHBondContact N-O 3.4Å; F856-T859 PolarHBondContact O-N 2.89Å; F856-T859 PolarHBondContact O-OG1 2.85Å; G857-T859 VanDerWaalsContact C-N 3.27Å; G857-T859 PolarHBondContact O-N 3.3Å; T859-I861 PolarHBondContact O-N 3.03Å
860	H	31.1	Very low	37.2	Very low	121 Å²	121	69 Å²	69	56%	0.56	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.9	170.7	-82.1	-107.8	0	0	0	109.7	D853	D853-H860 IonicContact OD1-ND1 2.86Å
861	I	31.3	Very low	38.1	Very low	44 Å²	44	66.9 Å²	66.9	23%	0.226	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.1	173.1	-56.8	-173.2	0	0	0	109.2	M854 F856 T859 A863	M854-I861 PolarHBondContact O-N 3.33Å; M854-I861 VanDerWaalsContact O-N 3.08Å; F856-I861 HydrophobicContact CB-CD1 3.72Å; F856-I861 HydrophobicContact CB-CG1 4.12Å; F856-I861 HydrophobicContact CD1-CD1 4.36Å; F856-I861 HydrophobicContact CD2-CB 3.78Å; F856-I861 HydrophobicContact CD2-CD1 3.9Å; F856-I861 HydrophobicContact CD2-CG1 4.06Å; F856-I861 HydrophobicContact CD2-CG2 4.5Å; F856-I861 HydrophobicContact CE2-CB 4.19Å; F856-I861 HydrophobicContact CE2-CG2 4.47Å; F856-I861 HydrophobicContact CG-CD1 3.78Å; F856-I861 HydrophobicContact CG-CG1 4.31Å; T859-I861 PolarHBondContact O-N 3.03Å; I861-A863 VanDerWaalsContact C-N 3.33Å; I861-A863 PolarHBondContact O-N 3.23Å
862	K	32.3	Very low	38.9	Very low	155 Å²	155	64.2 Å²	64.2	67%	0.674	38%	0.375	S	S	*	.			trans	-71.6	89.9	166.4	-81.5	-170.6	172	-176.9	0	110	C864	K862-C864 PolarHBondContact O-N 2.66Å
863	A	33.9	Very low	39.6	Very low	17 Å²	17	64.1 Å²	64.1	14%	0.14	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-64	128.9	160.6	0	0	0	0	0	108.8	M854 I861 P865 W875 L902	M854-A863 HydrophobicContact SD-CB 3.67Å; I861-A863 VanDerWaalsContact C-N 3.33Å; I861-A863 PolarHBondContact O-N 3.23Å; A863-P865 VanDerWaalsContact O-CD 3.26Å; A863-P865 WeakPolarHBondContact O-CD 3.23Å; A863-W875 HydrophobicContact CB-CE3 4.14Å; A863-W875 HydrophobicContact CB-CH2 4.24Å; A863-W875 HydrophobicContact CB-CZ3 3.58Å; A863-L902 HydrophobicContact CB-CD2 4.48Å
864	C	37	Very low	40.6	Very low	23 Å²	23	61 Å²	61	16%	0.155	36%	0.359	C	S	.	.			trans	-103.9	99.2	176.1	-62.3	0	0	0	0	109.6	K862 P903 C905	K862-C864 PolarHBondContact O-N 2.66Å; C864-P903 HydrophobicContact CB-CB 4.48Å; C864-P903 WeakPolarHBondContact CB-O 3.47Å; C864-P903 PolarHBondContact N-O 2.96Å; C864-C905 HydrophobicContact CB-CB 4.16Å; C864-C905 WeakPolarHBondContact CB-SG 3.32Å; C864-C905 VanDerWaalsContact SG-CA 3.52Å; C864-C905 WeakPolarHBondContact SG-CB 3.49Å; C864-C905 PolarHBondContact SG-N 3.03Å; C864-C905 VanDerWaalsContact SG-N 3.37Å; C864-C905 CovalentContact SG-SG 2.02Å; C864-C905 PolarHBondContact SG-SG 3.33Å
865	P	48.6	Very low	42	Very low	35 Å²	35	61.2 Å²	61.2	23%	0.227	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-69.6	156	178.8	27	-30.7	0	0	0	111.3	A863 L873 W875	A863-P865 VanDerWaalsContact O-CD 3.26Å; A863-P865 WeakPolarHBondContact O-CD 3.23Å; P865-L873 HydrophobicContact CB-CB 3.76Å; P865-L873 HydrophobicContact CG-CB 3.74Å; P865-L873 HydrophobicContact CG-CD1 3.8Å; P865-L873 HydrophobicContact CG-CD2 4.07Å; P865-L873 HydrophobicContact CG-CG 4.08Å; P865-W875 HydrophobicContact CB-CD2 4.39Å; P865-W875 HydrophobicContact CB-CE3 3.58Å; P865-W875 HydrophobicContact CB-CZ3 3.69Å; P865-W875 HydrophobicContact CG-CE3 4.34Å; P865-W875 HydrophobicContact CG-CZ3 3.96Å
866	G	49.2	Very low	43.6	Very low	17 Å²	17	57.8 Å²	57.8	18%	0.175	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.4	163.1	0	0	0	0	0	109.5	V868 A874	G866-V868 PolarHBondContact O-N 3.33Å; G866-A874 PolarHBondContact N-O 2.86Å; G866-A874 PolarHBondContact O-N 2.61Å
867	K	48.9	Very low	45	Very low	128 Å²	128	57 Å²	57	56%	0.557	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	118.2	160.9	-95.7	-165	162.2	-171.2	0	108.3	N869 D870 L873	K867-N869 WeakPolarHBondContact CD-O 3.37Å; K867-N869 WeakPolarHBondContact CG-O 3.45Å; K867-D870 WeakPolarHBondContact CE-O 3.09Å; K867-D870 PolarHBondContact NZ-O 3.49Å; K867-D870 IonicContact NZ-OD1 2.64Å; K867-D870 PolarHBondContact NZ-OD1 2.05Å; K867-L873 HydrophobicContact CB-CD2 4.45Å; K867-L873 HydrophobicContact CG-CD2 3.59Å
868	V	52.8	Low	46.4	Very low	37 Å²	37	53.5 Å²	53.5	22%	0.224	30%	0.301	C	S	.	.	S	Bend	trans	-83.4	-38.4	167.5	171.6	0	0	0	0	109.2	G866 V872 A874	G866-V868 PolarHBondContact O-N 3.33Å; V868-V872 HydrophobicContact CB-CB 4.13Å; V868-V872 HydrophobicContact CB-CG1 3.91Å; V868-V872 HydrophobicContact CG1-CG1 4.24Å; V868-V872 HydrophobicContact CG2-CG1 4.31Å; V868-V872 PolarHBondContact N-O 2.9Å; V868-A874 HydrophobicContact CG2-CB 3.52Å
869	N	54.2	Low	47.4	Very low	86 Å²	86	53.2 Å²	53.2	46%	0.46	28%	0.278	S	S	.	.	S	Bend	trans	-149.7	-162.8	163.9	60.4	45.2	0	0	0	108	K867 N871 V872	K867-N869 WeakPolarHBondContact CD-O 3.37Å; K867-N869 WeakPolarHBondContact CG-O 3.45Å; N869-N871 VanDerWaalsContact C-N 3.32Å; N869-N871 PolarHBondContact O-N 3.44Å; N869-N871 PolarHBondContact OD1-N 2.94Å; N869-N871 VanDerWaalsContact OD1-N 3.12Å; N869-V872 PolarHBondContact N-O 3.05Å; N869-V872 WeakPolarHBondContact OD1-CB 3.42Å; N869-V872 WeakPolarHBondContact OD1-CG2 3.4Å; N869-V872 PolarHBondContact OD1-N 2.9Å
870	D	50.6	Low	48.3	Very low	126 Å²	126	55.5 Å²	55.5	67%	0.674	28%	0.281	S	S	*	.	S	Bend	trans	-68.6	-26.7	-174.1	-84.1	-53.1	0	0	0	115.4	K867	K867-D870 WeakPolarHBondContact CE-O 3.09Å; K867-D870 PolarHBondContact NZ-O 3.49Å; K867-D870 IonicContact NZ-OD1 2.64Å; K867-D870 PolarHBondContact NZ-OD1 2.05Å
871	N	51.3	Low	48.9	Very low	85 Å²	85	50.8 Å²	50.8	46%	0.455	27%	0.266	S	S	.	.	S	Bend	trans	-107.4	-34.7	178.9	-58.3	4.1	0	0	0	112.3	D846 F847 N869 L873	D846-N871 WeakPolarHBondContact OD1-CB 3.34Å; F847-N871 WeakPolarHBondContact CB-O 3.43Å; F847-N871 PolarHBondContact N-O 3.08Å; F847-N871 WeakPolarHBondContact O-CB 3.37Å; N869-N871 VanDerWaalsContact C-N 3.32Å; N869-N871 PolarHBondContact O-N 3.44Å; N869-N871 PolarHBondContact OD1-N 2.94Å; N869-N871 VanDerWaalsContact OD1-N 3.12Å; N871-L873 PolarHBondContact O-N 2.92Å
872	V	50.4	Low	49.7	Very low	22 Å²	22	53.4 Å²	53.4	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	116.1	-175.2	-178.3	0	0	0	0	110.5	Y845 D846 V868 N869	Y845-V872 WeakPolarHBondContact O-CA 3.42Å; D846-V872 HydrophobicContact CB-CG2 4.49Å; V868-V872 HydrophobicContact CB-CB 4.13Å; V868-V872 HydrophobicContact CB-CG1 3.91Å; V868-V872 HydrophobicContact CG1-CG1 4.24Å; V868-V872 HydrophobicContact CG2-CG1 4.31Å; V868-V872 PolarHBondContact N-O 2.9Å; N869-V872 PolarHBondContact N-O 3.05Å; N869-V872 WeakPolarHBondContact OD1-CB 3.42Å; N869-V872 WeakPolarHBondContact OD1-CG2 3.4Å; N869-V872 PolarHBondContact OD1-N 2.9Å
873	L	53.4	Low	50.6	Low	30 Å²	30	47.1 Å²	47.1	16%	0.157	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.4	174.8	-59.3	179.3	0	0	0	109.3	Y845 F847 L852 P865 K867 N871	Y845-L873 PolarHBondContact N-O 3.21Å; Y845-L873 PolarHBondContact O-N 3.06Å; Y845-L873 VanDerWaalsContact O-N 3.13Å; F847-L873 HydrophobicContact CD2-CB 3.74Å; F847-L873 HydrophobicContact CD2-CD1 3.65Å; F847-L873 HydrophobicContact CD2-CG 3.69Å; F847-L873 HydrophobicContact CE2-CB 3.66Å; F847-L873 HydrophobicContact CE2-CD1 3.95Å; F847-L873 HydrophobicContact CE2-CG 4.08Å; F847-L873 HydrophobicContact CG-CD1 4.06Å; F847-L873 HydrophobicContact CG-CG 4.45Å; L852-L873 HydrophobicContact CD1-CD1 3.94Å; P865-L873 HydrophobicContact CB-CB 3.76Å; P865-L873 HydrophobicContact CG-CB 3.74Å; P865-L873 HydrophobicContact CG-CD1 3.8Å; P865-L873 HydrophobicContact CG-CD2 4.07Å; P865-L873 HydrophobicContact CG-CG 4.08Å; K867-L873 HydrophobicContact CB-CD2 4.45Å; K867-L873 HydrophobicContact CG-CD2 3.59Å; N871-L873 PolarHBondContact O-N 2.92Å
874	A	54.9	Low	51.8	Low	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.1	-176.5	0	0	0	0	0	115.1	V843 Y844 G866 V868 V886	V843-A874 WeakPolarHBondContact O-CA 3.29Å; V843-A874 VanDerWaalsContact O-CB 3.28Å; V843-A874 WeakPolarHBondContact O-CB 3.11Å; Y844-A874 HydrophobicContact CD1-CB 3.63Å; Y844-A874 HydrophobicContact CE1-CB 4.25Å; Y844-A874 HydrophobicContact CG-CB 4.37Å; G866-A874 PolarHBondContact N-O 2.86Å; G866-A874 PolarHBondContact O-N 2.61Å; V868-A874 HydrophobicContact CG2-CB 3.52Å; A874-V886 HydrophobicContact CB-CG2 3.94Å
875	W	60.7	Low	52.8	Low	13 Å²	13	46.7 Å²	46.7	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	150.5	175.7	36.2	49.5	0	0	0	112	C842 V843 Y845 M854 A863 P865	C842-W875 WeakPolarHBondContact CA-O 3.03Å; V843-W875 PolarHBondContact N-O 3.03Å; V843-W875 PolarHBondContact O-N 3.23Å; Y845-W875 AromaticContact CE2-CE2 3.65Å; Y845-W875 AromaticContact CE2-CZ2 3.51Å; Y845-W875 HydrophobicContact CE2-CZ2 3.51Å; Y845-W875 AromaticContact CE2-NE1 3.5Å; Y845-W875 AromaticContact CZ-CZ2 3.85Å; Y845-W875 AromaticContact CZ-NE1 3.7Å; Y845-W875 PolarHBondContact OH-NE1 3.42Å; M854-W875 HydrophobicContact CE-CH2 4.47Å; M854-W875 HydrophobicContact CE-CZ2 4.47Å; M854-W875 HydrophobicContact SD-CH2 3.49Å; M854-W875 WeakPolarHBondContact SD-CH2 3.42Å; M854-W875 HydrophobicContact SD-CZ2 4.02Å; M854-W875 HydrophobicContact SD-CZ3 4.15Å; A863-W875 HydrophobicContact CB-CE3 4.14Å; A863-W875 HydrophobicContact CB-CH2 4.24Å; A863-W875 HydrophobicContact CB-CZ3 3.58Å; P865-W875 HydrophobicContact CB-CD2 4.39Å; P865-W875 HydrophobicContact CB-CE3 3.58Å; P865-W875 HydrophobicContact CB-CZ3 3.69Å; P865-W875 HydrophobicContact CG-CE3 4.34Å; P865-W875 HydrophobicContact CG-CZ3 3.96Å
876	C	61.5	Low	53.5	Low	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.2	178.9	-63.8	0	0	0	0	111.1	Y841 C842 H878 F883 S884 C896	Y841-C876 CarbonylContact O-C 3.24Å; Y841-C876 WeakPolarHBondContact O-CA 3.49Å; C842-C876 PolarHBondContact SG-SG 2.93Å; C876-H878 PolarHBondContact O-CD2 2.56Å; C876-F883 CarbonylContact O-C 3.5Å; C876-F883 WeakPolarHBondContact O-CA 3.19Å; C876-S884 WeakPolarHBondContact CB-OG 3.24Å; C876-S884 PolarHBondContact N-O 2.8Å; C876-S884 PolarHBondContact O-N 3.11Å; C876-C896 HydrophobicContact CB-CB 3.65Å; C876-C896 WeakPolarHBondContact CB-SG 3.46Å; C876-C896 WeakPolarHBondContact SG-CA 3.47Å; C876-C896 WeakPolarHBondContact SG-CB 3.04Å; C876-C896 CovalentContact SG-SG 2.03Å; C876-C896 PolarHBondContact SG-SG 3.35Å
877	V	58	Low	54.1	Low	17 Å²	17	51.4 Å²	51.4	10%	0.103	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.9	168.1	-167.3	0	0	0	0	109	L809 K840 Y841 V843 F883	L809-V877 HydrophobicContact CD1-CG1 4.2Å; K840-V877 CarbonylContact C-O 3.57Å; K840-V877 VanDerWaalsContact CA-O 3.29Å; K840-V877 WeakPolarHBondContact CA-O 3.03Å; Y841-V877 PolarHBondContact N-O 3.43Å; Y841-V877 PolarHBondContact O-N 2.91Å; V843-V877 HydrophobicContact CG2-CG2 4.02Å; V877-F883 HydrophobicContact CG1-CE1 4.39Å; V877-F883 HydrophobicContact CG2-CD1 4.01Å; V877-F883 HydrophobicContact CG2-CE1 3.74Å
878	H	57.7	Low	54.6	Low	8 Å²	8	52 Å²	52	4%	0.037	26%	0.264	C	S	.	.			trans	-93.2	172.3	175.2	-62.3	-121.3	0	0	0	111	C876 G881 K882 S884 A897 H900	C876-H878 PolarHBondContact O-CD2 2.56Å; H878-G881 PolarHBondContact O-N 3.44Å; H878-K882 HydrophobicContact CB-CB 4.31Å; H878-K882 WeakPolarHBondContact CB-O 3.45Å; H878-K882 PolarHBondContact N-O 3.13Å; H878-S884 VanDerWaalsContact NE2-CB 3.32Å; H878-S884 WeakPolarHBondContact NE2-CB 3.34Å; H878-S884 PolarHBondContact NE2-OG 3.42Å; H878-A897 PolarHBondContact CE1-O 2.76Å; H878-A897 VanDerWaalsContact CE1-O 3.26Å; H878-A897 PolarHBondContact NE2-O 2.77Å; H878-H900 AromaticContact CE1-CE1 3.99Å; H878-H900 AromaticContact CE1-ND1 3.93Å; H878-H900 AromaticContact CG-ND1 3.88Å; H878-H900 AromaticContact ND1-CE1 3.28Å; H878-H900 PolarHBondContact ND1-CE1 3.01Å; H878-H900 VanDerWaalsContact ND1-CE1 3.28Å; H878-H900 AromaticContact ND1-ND1 3.44Å; H878-H900 PolarHBondContact ND1-ND1 2.93Å
879	E	50.3	Low	54.6	Low	75 Å²	75	52.7 Å²	52.7	35%	0.35	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-59.4	153.6	168.1	-58.7	-150.1	94.2	0	0	112.5	K839 G881	K839-E879 HydrophobicContact CB-CG 3.62Å; K839-E879 VanDerWaalsContact CE-CD 3.4Å; K839-E879 WeakPolarHBondContact CE-OE1 3.27Å; K839-E879 WeakPolarHBondContact CE-OE2 3.42Å; K839-E879 IonicContact NZ-OE1 3.46Å; K839-E879 PolarHBondContact NZ-OE1 3.03Å; K839-E879 IonicContact NZ-OE2 3.41Å; K839-E879 PolarHBondContact NZ-OE2 3.31Å; E879-G881 VanDerWaalsContact C-N 3.26Å; E879-G881 PolarHBondContact O-N 3.09Å
880	K	46.3	Very low	54.6	Low	127 Å²	127	51 Å²	51	55%	0.552	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	64.6	17.1	-171.7	-50.1	-174	177.8	-172.6	0	115.7	K882	K880-K882 VanDerWaalsContact C-N 3.31Å; K880-K882 PolarHBondContact O-N 2.74Å
881	G	42.8	Very low	54.5	Low	22 Å²	22	52.8 Å²	52.8	23%	0.227	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	74.5	21.4	174.4	0	0	0	0	0	113.8	H878 E879 F883	H878-G881 PolarHBondContact O-N 3.44Å; E879-G881 VanDerWaalsContact C-N 3.26Å; E879-G881 PolarHBondContact O-N 3.09Å; G881-F883 WeakPolarHBondContact O-CE2 3.49Å
882	K	49.6	Very low	54.3	Low	98 Å²	98	54.9 Å²	54.9	43%	0.426	29%	0.291	S	S	.	.			trans	-85.5	142.4	174.3	-66.9	-175.7	158.3	-142.7	0	110	H878 K880 H900	H878-K882 HydrophobicContact CB-CB 4.31Å; H878-K882 WeakPolarHBondContact CB-O 3.45Å; H878-K882 PolarHBondContact N-O 3.13Å; K880-K882 VanDerWaalsContact C-N 3.31Å; K880-K882 PolarHBondContact O-N 2.74Å; K882-H900 HydrophobicContact CD-CB 3.96Å; K882-H900 PolarHBondContact NZ-O 2.99Å
883	F	50	Low	54.3	Low	23 Å²	23	55.5 Å²	55.5	10%	0.101	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	158.4	176.5	-59.7	-101.1	0	0	0	111	L809 F820 C876 V877 G881 V901 L902	L809-F883 HydrophobicContact CD1-CZ 3.98Å; F820-F883 HydrophobicContact CE1-CE2 4.13Å; F820-F883 AromaticContact CE1-CZ 3.63Å; F820-F883 HydrophobicContact CE1-CZ 3.63Å; F820-F883 HydrophobicContact CZ-CE2 4.27Å; F820-F883 AromaticContact CZ-CZ 3.73Å; F820-F883 HydrophobicContact CZ-CZ 3.73Å; C876-F883 CarbonylContact O-C 3.5Å; C876-F883 WeakPolarHBondContact O-CA 3.19Å; V877-F883 HydrophobicContact CG1-CE1 4.39Å; V877-F883 HydrophobicContact CG2-CD1 4.01Å; V877-F883 HydrophobicContact CG2-CE1 3.74Å; G881-F883 WeakPolarHBondContact O-CE2 3.49Å; F883-V901 CarbonylContact O-C 3.33Å; F883-L902 HydrophobicContact CB-CD2 3.59Å; F883-L902 HydrophobicContact CB-CG 3.95Å; F883-L902 HydrophobicContact CD2-CD2 4.35Å; F883-L902 HydrophobicContact CD2-CG 4.37Å; F883-L902 HydrophobicContact CG-CD2 4.08Å; F883-L902 HydrophobicContact CG-CG 4.47Å; F883-L902 PolarHBondContact O-N 3.26Å
884	S	58.7	Low	54.3	Low	1 Å²	1	55.5 Å²	55.5	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	165.9	164.6	78.3	0	0	0	0	111	C876 H878 A897 N899	C876-S884 WeakPolarHBondContact CB-OG 3.24Å; C876-S884 PolarHBondContact N-O 2.8Å; C876-S884 PolarHBondContact O-N 3.11Å; H878-S884 VanDerWaalsContact NE2-CB 3.32Å; H878-S884 WeakPolarHBondContact NE2-CB 3.34Å; H878-S884 PolarHBondContact NE2-OG 3.42Å; S884-A897 WeakPolarHBondContact CB-O 3.43Å; S884-A897 PolarHBondContact OG-O 3.09Å; S884-A897 VanDerWaalsContact OG-O 3.05Å; S884-N899 VanDerWaalsContact CB-O 3.31Å; S884-N899 WeakPolarHBondContact CB-O 3.33Å
885	A	58.9	Low	54.7	Low	30 Å²	30	58.7 Å²	58.7	25%	0.248	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	154.7	163.8	0	0	0	0	0	111.7	A897 P903	A885-A897 WeakPolarHBondContact O-CB 3.14Å; A885-A897 PolarHBondContact O-N 2.79Å; A885-A897 VanDerWaalsContact O-N 3.13Å; A885-P903 HydrophobicContact CB-CG 3.81Å
886	V	63.2	Low	54.7	Low	20 Å²	20	58.2 Å²	58.2	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.6	157.5	-175.3	0	0	0	0	107.5	A874 E888	A874-V886 HydrophobicContact CB-CG2 3.94Å; V886-E888 WeakPolarHBondContact CG1-O 3.07Å
887	K	62.8	Low	54.8	Low	131 Å²	131	59 Å²	59	57%	0.57	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	-48	179.3	-121.4	-179	-176.4	178.3	0	110.4	H895 A897 E898	K887-H895 HydrophobicContact CB-CB 4.44Å; K887-H895 WeakPolarHBondContact CB-O 3.09Å; K887-H895 PolarHBondContact N-O 3.32Å; K887-A897 HydrophobicContact CG-CB 4.16Å; K887-E898 IonicContact NZ-OE2 2.79Å; K887-E898 PolarHBondContact NZ-OE2 3.42Å; K887-E898 VanDerWaalsContact NZ-OE2 3.13Å
888	E	59.3	Low	54.9	Low	140 Å²	140	64.5 Å²	64.5	65%	0.654	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149	148.9	179.6	-65.8	-179.4	156.1	0	0	109.4	V886 H895	V886-E888 WeakPolarHBondContact CG1-O 3.07Å; E888-H895 PolarHBondContact O-N 3.35Å
889	S	52.6	Low	54.8	Low	52 Å²	52	70.4 Å²	70.4	36%	0.364	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.8	178	53.8	0	0	0	0	111.5
890	S	53.4	Low	54.8	Low	52 Å²	52	71.5 Å²	71.5	36%	0.364	38%	0.376	S	S	.	.			trans	-117.1	172.2	161.8	80.6	0	0	0	0	109.6	T892 S893	S890-T892 PolarHBondContact O-N 2.96Å; S890-T892 PolarHBondContact OG-N 3.06Å; S890-S893 PolarHBondContact N-O 3.18Å; S890-S893 PolarHBondContact OG-N 3.43Å; S890-S893 PolarHBondContact OG-O 3.48Å; S890-S893 PolarHBondContact OG-OG 3.32Å
891	D	48.5	Very low	54.9	Low	162 Å²	162	68.4 Å²	68.4	87%	0.866	37%	0.368	S	S	*	.	S	Bend	trans	-59.4	-10.3	177.3	-57.3	-40.8	0	0	0	114.4
892	T	48.1	Very low	55	Low	129 Å²	129	69.4 Å²	69.4	79%	0.791	37%	0.368	S	S	*	.	S	Bend	trans	-139.1	-3.3	-176.3	58.4	0	0	0	0	115.3	S890	S890-T892 PolarHBondContact O-N 2.96Å; S890-T892 PolarHBondContact OG-N 3.06Å
893	S	49.1	Very low	54.4	Low	36 Å²	36	66.6 Å²	66.6	25%	0.252	36%	0.359	S	S	.	.			trans	-149.6	148.6	-176.8	69.4	0	0	0	0	112.5	S890	S890-S893 PolarHBondContact N-O 3.18Å; S890-S893 PolarHBondContact OG-N 3.43Å; S890-S893 PolarHBondContact OG-O 3.48Å; S890-S893 PolarHBondContact OG-OG 3.32Å
894	Y	53.3	Low	53.7	Low	29 Å²	29	69.2 Å²	69.2	11%	0.114	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	113.2	-172.5	-48.8	-89.2	0	0	0	109.8	I832 S834 S835 Y844	I832-Y894 HydrophobicContact CD1-CE2 4.37Å; S834-Y894 PolarHBondContact OG-O 3.49Å; S835-Y894 PolarHBondContact OG-N 2.93Å; S835-Y894 PolarHBondContact OG-O 3.01Å; Y844-Y894 HydrophobicContact CD1-CE1 4.25Å; Y844-Y894 AromaticContact CE1-CD1 3.6Å; Y844-Y894 HydrophobicContact CE1-CD1 3.6Å; Y844-Y894 HydrophobicContact CE1-CD2 4.21Å; Y844-Y894 AromaticContact CE1-CE1 3.41Å; Y844-Y894 HydrophobicContact CE1-CE1 3.41Å; Y844-Y894 VanDerWaalsContact CE1-CE1 3.41Å; Y844-Y894 HydrophobicContact CE1-CE2 4.04Å; Y844-Y894 AromaticContact CE1-CG 3.99Å; Y844-Y894 HydrophobicContact CE1-CG 3.99Å; Y844-Y894 AromaticContact CE1-CZ 3.62Å; Y844-Y894 AromaticContact CZ-CD2 3.91Å; Y844-Y894 AromaticContact CZ-CE1 3.96Å; Y844-Y894 AromaticContact CZ-CE2 3.69Å; Y844-Y894 AromaticContact CZ-CZ 3.69Å; Y844-Y894 WeakPolarHBondContact OH-CD2 3.49Å; Y844-Y894 WeakPolarHBondContact OH-CE2 3.22Å
895	H	63.3	Low	52.5	Low	68 Å²	68	72.7 Å²	72.7	32%	0.315	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.6	177.5	-74.1	-66.1	0	0	0	110	D836 K887 E888	D836-H895 VanDerWaalsContact CG-ND1 3.34Å; D836-H895 IonicContact OD1-CE1 2.72Å; D836-H895 PolarHBondContact OD1-CE1 3.3Å; D836-H895 IonicContact OD1-ND1 3.19Å; D836-H895 PolarHBondContact OD1-ND1 3.05Å; D836-H895 IonicContact OD2-ND1 2.66Å; D836-H895 PolarHBondContact OD2-ND1 3.3Å; K887-H895 HydrophobicContact CB-CB 4.44Å; K887-H895 WeakPolarHBondContact CB-O 3.09Å; K887-H895 PolarHBondContact N-O 3.32Å; E888-H895 PolarHBondContact O-N 3.35Å
896	C	61.4	Low	51.3	Low	2 Å²	2	79.6 Å²	79.6	1%	0.014	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.8	-174.4	-76.4	0	0	0	0	111.1	D836 K840 C876 E898	D836-C896 PolarHBondContact OD2-N 2.05Å; K840-C896 HydrophobicContact CD-CB 3.32Å; K840-C896 PolarHBondContact NZ-O 3.46Å; C876-C896 HydrophobicContact CB-CB 3.65Å; C876-C896 WeakPolarHBondContact CB-SG 3.46Å; C876-C896 WeakPolarHBondContact SG-CA 3.47Å; C876-C896 WeakPolarHBondContact SG-CB 3.04Å; C876-C896 CovalentContact SG-SG 2.03Å; C876-C896 PolarHBondContact SG-SG 3.35Å; C896-E898 PolarHBondContact O-N 2.78Å
897	A	64.4	Low	50	Low	16 Å²	16	85.5 Å²	85.5	13%	0.132	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-51.6	135.8	177.5	0	0	0	0	0	111.7	H878 S884 A885 K887 N899	H878-A897 PolarHBondContact CE1-O 2.76Å; H878-A897 VanDerWaalsContact CE1-O 3.26Å; H878-A897 PolarHBondContact NE2-O 2.77Å; S884-A897 WeakPolarHBondContact CB-O 3.43Å; S884-A897 PolarHBondContact OG-O 3.09Å; S884-A897 VanDerWaalsContact OG-O 3.05Å; A885-A897 WeakPolarHBondContact O-CB 3.14Å; A885-A897 PolarHBondContact O-N 2.79Å; A885-A897 VanDerWaalsContact O-N 3.13Å; K887-A897 HydrophobicContact CG-CB 4.16Å; A897-N899 PolarHBondContact O-N 3.08Å
898	E	59.1	Low	48.9	Very low	133 Å²	133	86.1 Å²	86.1	62%	0.621	46%	0.462	S	S	*	.	S	Bend	trans	-76.5	-13.8	-178.5	-65.8	154.1	117.1	0	0	112.2	K887 C896 H900	K887-E898 IonicContact NZ-OE2 2.79Å; K887-E898 PolarHBondContact NZ-OE2 3.42Å; K887-E898 VanDerWaalsContact NZ-OE2 3.13Å; C896-E898 PolarHBondContact O-N 2.78Å; E898-H900 PolarHBondContact O-N 3.5Å
899	N	54.9	Low	48.3	Very low	132 Å²	132	82 Å²	82	71%	0.706	45%	0.445	S	S	*	.			trans	-68.9	104.8	175.6	-72.4	0.7	0	0	0	109.9	S884 A897 V901	S884-N899 VanDerWaalsContact CB-O 3.31Å; S884-N899 WeakPolarHBondContact CB-O 3.33Å; A897-N899 PolarHBondContact O-N 3.08Å; N899-V901 PolarHBondContact O-N 2.96Å
900	H	51.8	Low	48.2	Very low	98 Å²	98	86.9 Å²	86.9	45%	0.454	47%	0.466	S	S	.	.			trans	-73	34.8	-174.2	-87.4	-51.5	0	0	0	115.2	H878 K882 E898	H878-H900 AromaticContact CE1-CE1 3.99Å; H878-H900 AromaticContact CE1-ND1 3.93Å; H878-H900 AromaticContact CG-ND1 3.88Å; H878-H900 AromaticContact ND1-CE1 3.28Å; H878-H900 PolarHBondContact ND1-CE1 3.01Å; H878-H900 VanDerWaalsContact ND1-CE1 3.28Å; H878-H900 AromaticContact ND1-ND1 3.44Å; H878-H900 PolarHBondContact ND1-ND1 2.93Å; K882-H900 HydrophobicContact CD-CB 3.96Å; K882-H900 PolarHBondContact NZ-O 2.99Å; E898-H900 PolarHBondContact O-N 3.5Å
901	V	48.6	Very low	48.2	Very low	63 Å²	63	85.2 Å²	85.2	38%	0.382	45%	0.454	S	S	.	.	S	Bend	trans	-135.6	139.1	-176.7	-166.4	0	0	0	0	108.1	F883 N899	F883-V901 CarbonylContact O-C 3.33Å; N899-V901 PolarHBondContact O-N 2.96Å
902	L	43.4	Very low	48.5	Very low	42 Å²	42	79.3 Å²	79.3	22%	0.22	43%	0.425	C	S	.	.			trans	-48.4	135.1	166	-89.3	166.1	0	0	0	109.2	A863 F883 F904	A863-L902 HydrophobicContact CB-CD2 4.48Å; F883-L902 HydrophobicContact CB-CD2 3.59Å; F883-L902 HydrophobicContact CB-CG 3.95Å; F883-L902 HydrophobicContact CD2-CD2 4.35Å; F883-L902 HydrophobicContact CD2-CG 4.37Å; F883-L902 HydrophobicContact CG-CD2 4.08Å; F883-L902 HydrophobicContact CG-CG 4.47Å; F883-L902 PolarHBondContact O-N 3.26Å; L902-F904 HydrophobicContact CB-CE2 4.49Å; L902-F904 PolarHBondContact O-N 2.98Å
903	P	36.9	Very low	49	Very low	39 Å²	39	73.2 Å²	73.2	25%	0.253	39%	0.388	S	S	.	.			trans	-65.9	87.5	156.6	-4.8	21.7	0	0	0	106.9	C864 A885 C905	C864-P903 HydrophobicContact CB-CB 4.48Å; C864-P903 WeakPolarHBondContact CB-O 3.47Å; C864-P903 PolarHBondContact N-O 2.96Å; A885-P903 HydrophobicContact CB-CG 3.81Å; P903-C905 PolarHBondContact O-N 3.14Å
904	F	34.9	Very low	49.2	Very low	78 Å²	78	74.5 Å²	74.5	34%	0.342	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-49.7	119.3	138.1	-68.8	-88.4	0	0	0	104.9	L902 Q906 N914	L902-F904 HydrophobicContact CB-CE2 4.49Å; L902-F904 PolarHBondContact O-N 2.98Å; F904-Q906 PolarHBondContact O-N 3.34Å; F904-Q906 VanDerWaalsContact O-N 3.11Å; F904-N914 HydrophobicContact CD1-CB 4.42Å; F904-N914 HydrophobicContact CE1-CB 4.14Å; F904-N914 WeakPolarHBondContact CE2-ND2 3.41Å; F904-N914 WeakPolarHBondContact CZ-ND2 3.07Å
905	C	34.6	Very low	49.3	Very low	74 Å²	74	78.3 Å²	78.3	50%	0.5	41%	0.414	S	S	.	.			trans	-47.3	127.2	177.3	-87.5	0	0	0	0	108.4	C864 P903 H907	C864-C905 HydrophobicContact CB-CB 4.16Å; C864-C905 WeakPolarHBondContact CB-SG 3.32Å; C864-C905 VanDerWaalsContact SG-CA 3.52Å; C864-C905 WeakPolarHBondContact SG-CB 3.49Å; C864-C905 PolarHBondContact SG-N 3.03Å; C864-C905 VanDerWaalsContact SG-N 3.37Å; C864-C905 CovalentContact SG-SG 2.02Å; C864-C905 PolarHBondContact SG-SG 3.33Å; P903-C905 PolarHBondContact O-N 3.14Å; C905-H907 PolarHBondContact O-N 2.82Å
906	Q	34.1	Very low	49.1	Very low	175 Å²	175	76.3 Å²	76.3	82%	0.818	41%	0.405	S	S	*	.			trans	-66	91.1	166.1	-78.5	-173.1	-32.9	0	0	107.6	F904 T908	F904-Q906 PolarHBondContact O-N 3.34Å; F904-Q906 VanDerWaalsContact O-N 3.11Å; Q906-T908 PolarHBondContact O-N 3.11Å; Q906-T908 VanDerWaalsContact O-N 3.14Å
907	H	35.6	Very low	49	Very low	144 Å²	144	80.1 Å²	80.1	67%	0.667	42%	0.421	S	S	*	.			trans	-45.3	115.8	130.2	-68.4	-66.1	0	0	0	105.6	C905 D909	C905-H907 PolarHBondContact O-N 2.82Å; H907-D909 PolarHBondContact O-N 3.41Å
908	T	40.3	Very low	49.1	Very low	144 Å²	144	79.3 Å²	79.3	88%	0.883	42%	0.415	S	S	*	.	S	Bend	trans	-75.2	40.4	-168.5	39.5	0	0	0	0	112.1	Q906	Q906-T908 PolarHBondContact O-N 3.11Å; Q906-T908 VanDerWaalsContact O-N 3.14Å
909	D	46.7	Very low	49.4	Very low	54 Å²	54	73.5 Å²	73.5	29%	0.289	39%	0.389	S	S	.	.			trans	-134.4	101	-161.2	-170.1	-13.2	0	0	0	107.4	H907 T911 S912 K917	H907-D909 PolarHBondContact O-N 3.41Å; D909-T911 VanDerWaalsContact CG-OG1 3.27Å; D909-T911 PolarHBondContact O-N 3.37Å; D909-T911 WeakPolarHBondContact OD1-CB 3.39Å; D909-T911 PolarHBondContact OD1-N 3.16Å; D909-T911 VanDerWaalsContact OD1-N 3.11Å; D909-T911 PolarHBondContact OD1-OG1 3.23Å; D909-T911 PolarHBondContact OD2-OG1 3.43Å; D909-S912 PolarHBondContact O-N 3.46Å; D909-K917 IonicContact OD2-NZ 2.63Å; D909-K917 PolarHBondContact OD2-NZ 2.96Å
910	L	50.7	Low	49.9	Very low	154 Å²	154	74.4 Å²	74.4	81%	0.806	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-12.9	178.1	-74.7	162.7	0	0	0	112.8	S912	L910-S912 VanDerWaalsContact C-N 3.29Å; L910-S912 PolarHBondContact O-N 3.42Å
911	T	52.6	Low	50.5	Low	18 Å²	18	75.9 Å²	75.9	11%	0.11	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	22.5	172.1	79.3	0	0	0	0	113	D909 K917 C918	D909-T911 VanDerWaalsContact CG-OG1 3.27Å; D909-T911 PolarHBondContact O-N 3.37Å; D909-T911 WeakPolarHBondContact OD1-CB 3.39Å; D909-T911 PolarHBondContact OD1-N 3.16Å; D909-T911 VanDerWaalsContact OD1-N 3.11Å; D909-T911 PolarHBondContact OD1-OG1 3.23Å; D909-T911 PolarHBondContact OD2-OG1 3.43Å; T911-K917 CarbonylContact O-C 3.53Å; T911-K917 VanDerWaalsContact O-C 3.31Å; T911-K917 WeakPolarHBondContact O-CA 3.47Å; T911-K917 WeakPolarHBondContact O-CB 3.48Å; T911-K917 WeakPolarHBondContact O-CG 3.02Å; T911-C918 PolarHBondContact O-N 3.4Å
912	S	55.2	Low	51.4	Low	38 Å²	38	73 Å²	73	27%	0.266	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	105	177.1	-149.7	0	0	0	0	113.4	D909 L910	D909-S912 PolarHBondContact O-N 3.46Å; L910-S912 VanDerWaalsContact C-N 3.29Å; L910-S912 PolarHBondContact O-N 3.42Å
913	C	58.6	Low	52.6	Low	1 Å²	1	74.6 Å²	74.6	1%	0.007	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	166.7	156.7	-65.8	0	0	0	0	109.8	D915 H916 C924 R934	C913-D915 VanDerWaalsContact C-N 3.31Å; C913-D915 PolarHBondContact O-N 2.03Å; C913-H916 CarbonylContact C-O 3.55Å; C913-H916 VanDerWaalsContact CA-O 3.3Å; C913-H916 WeakPolarHBondContact CA-O 3.31Å; C913-H916 WeakPolarHBondContact CB-NE2 3.23Å; C913-H916 WeakPolarHBondContact CB-O 3.47Å; C913-H916 PolarHBondContact N-O 3.22Å; C913-H916 PolarHBondContact O-N 2.9Å; C913-C924 WeakPolarHBondContact CA-SG 3.02Å; C913-C924 HydrophobicContact CB-CB 4.31Å; C913-C924 WeakPolarHBondContact CB-SG 3.47Å; C913-C924 WeakPolarHBondContact SG-CB 3.05Å; C913-C924 CovalentContact SG-SG 2.04Å; C913-C924 PolarHBondContact SG-SG 3.04Å; C913-R934 HydrophobicContact CB-CB 3.84Å
914	N	52.9	Low	54.1	Low	62 Å²	62	74.5 Å²	74.5	33%	0.332	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-39.6	-166.4	-62.1	-4.4	0	0	0	112.9	F904 R934	F904-N914 HydrophobicContact CD1-CB 4.42Å; F904-N914 HydrophobicContact CE1-CB 4.14Å; F904-N914 WeakPolarHBondContact CE2-ND2 3.41Å; F904-N914 WeakPolarHBondContact CZ-ND2 3.07Å; N914-R934 WeakPolarHBondContact OD1-CD 3.23Å; N914-R934 PolarHBondContact OD1-NH1 3.17Å
915	D	55.2	Low	55.7	Low	109 Å²	109	73.5 Å²	73.5	58%	0.583	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-2.3	-173.9	-40.9	-75.3	0	0	0	112.8	C913 P951	C913-D915 VanDerWaalsContact C-N 3.31Å; C913-D915 PolarHBondContact O-N 2.03Å; D915-P951 WeakPolarHBondContact O-CD 3.2Å; D915-P951 WeakPolarHBondContact O-CG 3.33Å
916	H	58.2	Low	56.8	Low	27 Å²	27	75.4 Å²	75.4	13%	0.125	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	146.7	-175.3	53.2	-88.8	0	0	0	112.7	C913 R934 Y948	C913-H916 CarbonylContact C-O 3.55Å; C913-H916 VanDerWaalsContact CA-O 3.3Å; C913-H916 WeakPolarHBondContact CA-O 3.31Å; C913-H916 WeakPolarHBondContact CB-NE2 3.23Å; C913-H916 WeakPolarHBondContact CB-O 3.47Å; C913-H916 PolarHBondContact N-O 3.22Å; C913-H916 PolarHBondContact O-N 2.9Å; H916-R934 PolarHBondContact CE1-O 3.07Å; H916-R934 VanDerWaalsContact CE1-O 3.31Å; H916-Y948 AromaticContact CD2-CD1 3.35Å; H916-Y948 WeakPolarHBondContact CD2-CD1 3.17Å; H916-Y948 AromaticContact CD2-CE1 3.79Å; H916-Y948 AromaticContact CE1-CD1 3.95Å; H916-Y948 AromaticContact CE1-CE1 3.77Å; H916-Y948 AromaticContact CG-CD1 3.91Å; H916-Y948 AromaticContact NE2-CD1 3.4Å; H916-Y948 WeakPolarHBondContact NE2-CD1 3.41Å; H916-Y948 AromaticContact NE2-CE1 3.28Å; H916-Y948 VanDerWaalsContact NE2-CE1 3.28Å; H916-Y948 WeakPolarHBondContact NE2-CE1 3.37Å
917	K	59.8	Low	57.7	Low	81 Å²	81	69.9 Å²	69.9	35%	0.352	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	165.5	163.4	-71.3	-160	178.5	-166.5	0	111.5	D909 T911 Y948 K949	D909-K917 IonicContact OD2-NZ 2.63Å; D909-K917 PolarHBondContact OD2-NZ 2.96Å; T911-K917 CarbonylContact O-C 3.53Å; T911-K917 VanDerWaalsContact O-C 3.31Å; T911-K917 WeakPolarHBondContact O-CA 3.47Å; T911-K917 WeakPolarHBondContact O-CB 3.48Å; T911-K917 WeakPolarHBondContact O-CG 3.02Å; K917-Y948 CarbonylContact O-C 3.51Å; K917-K949 CarbonylContact C-O 3.24Å; K917-K949 VanDerWaalsContact CA-O 3.27Å; K917-K949 WeakPolarHBondContact CA-O 3.2Å; K917-K949 HydrophobicContact CB-CB 3.69Å; K917-K949 VanDerWaalsContact CB-O 3.26Å; K917-K949 WeakPolarHBondContact CB-O 3.47Å; K917-K949 PolarHBondContact N-O 3.02Å; K917-K949 CarbonylContact O-C 3.44Å; K917-K949 WeakPolarHBondContact O-CA 3.36Å; K917-K949 PolarHBondContact O-N 3.13Å
918	C	66.2	Low	58.3	Low	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	171.2	172.7	-58	0	0	0	0	110.1	T911 S922 C936 C947 K949	T911-C918 PolarHBondContact O-N 3.4Å; C918-S922 WeakPolarHBondContact CB-O 3.47Å; C918-S922 WeakPolarHBondContact CB-OG 3.37Å; C918-C936 WeakPolarHBondContact CA-SG 3.3Å; C918-C936 HydrophobicContact CB-CB 3.81Å; C918-C936 WeakPolarHBondContact CB-SG 3.04Å; C918-C936 WeakPolarHBondContact SG-CB 3.02Å; C918-C936 CovalentContact SG-SG 2.04Å; C918-C936 PolarHBondContact SG-SG 3.16Å; C918-C947 CarbonylContact C-O 3.58Å; C918-C947 VanDerWaalsContact CA-O 3.3Å; C918-C947 WeakPolarHBondContact CA-O 3.27Å; C918-K949 VanDerWaalsContact O-CD 3.23Å; C918-K949 WeakPolarHBondContact O-CD 3.35Å; C918-K949 WeakPolarHBondContact O-CG 3.43Å
919	A	67	Low	58.4	Low	10 Å²	10	67.7 Å²	67.7	8%	0.083	38%	0.383	C	S	.	.			trans	-65.9	160.3	166.1	0	0	0	0	0	111.2	N921 S922 L942 C947	A919-N921 PolarHBondContact O-N 3.27Å; A919-S922 WeakPolarHBondContact CB-OG 3.03Å; A919-S922 PolarHBondContact N-OG 2.87Å; A919-S922 PolarHBondContact O-N 3.39Å; A919-S922 PolarHBondContact O-OG 3.4Å; A919-L942 HydrophobicContact CB-CD1 3.98Å; A919-L942 HydrophobicContact CB-CD2 4.42Å; A919-C947 PolarHBondContact N-O 2.64Å
920	E	63.8	Low	57.9	Low	152 Å²	152	70.7 Å²	70.7	71%	0.71	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.8	178.1	-80	140.4	-125.2	0	0	114.1	K949	E920-K949 IonicContact OE1-NZ 3.78Å; E920-K949 PolarHBondContact OE1-NZ 2.78Å
921	N	65.9	Low	57	Low	128 Å²	128	68.8 Å²	68.8	68%	0.684	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	11.7	177.2	-67.6	-16.8	0	0	0	113.8	A919 S939	A919-N921 PolarHBondContact O-N 3.27Å; N921-S939 WeakPolarHBondContact O-CB 3.46Å; N921-S939 PolarHBondContact O-OG 2.73Å
922	S	67.2	Low	56.5	Low	4 Å²	4	74.1 Å²	74.1	3%	0.028	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136	174.8	49.3	0	0	0	0	112.5	C918 A919 N937 C947	C918-S922 WeakPolarHBondContact CB-O 3.47Å; C918-S922 WeakPolarHBondContact CB-OG 3.37Å; A919-S922 WeakPolarHBondContact CB-OG 3.03Å; A919-S922 PolarHBondContact N-OG 2.87Å; A919-S922 PolarHBondContact O-N 3.39Å; A919-S922 PolarHBondContact O-OG 3.4Å; S922-N937 VanDerWaalsContact CA-O 3.26Å; S922-N937 WeakPolarHBondContact CA-O 3.37Å; S922-N937 WeakPolarHBondContact CB-O 3.16Å; S922-C947 PolarHBondContact OG-O 2.04Å
923	T	68.6	Low	56.4	Low	74 Å²	74	74.5 Å²	74.5	45%	0.454	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.2	-173.7	51.1	0	0	0	0	111.2	V925 N937	T923-V925 PolarHBondContact O-N 2.75Å; T923-N937 PolarHBondContact N-O 2.91Å; T923-N937 WeakPolarHBondContact O-CB 3.32Å; T923-N937 PolarHBondContact O-N 2.99Å
924	C	67.4	Low	56.5	Low	37 Å²	37	77.5 Å²	77.5	25%	0.25	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.4	176.9	-169.8	0	0	0	0	111.2	C913	C913-C924 WeakPolarHBondContact CA-SG 3.02Å; C913-C924 HydrophobicContact CB-CB 4.31Å; C913-C924 WeakPolarHBondContact CB-SG 3.47Å; C913-C924 WeakPolarHBondContact SG-CB 3.05Å; C913-C924 CovalentContact SG-SG 2.04Å; C913-C924 PolarHBondContact SG-SG 3.04Å
925	V	68.5	Low	56.9	Low	58 Å²	58	76.3 Å²	76.3	35%	0.352	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.3	-178.9	-64.1	0	0	0	0	112.1	T923 S935 N937	T923-V925 PolarHBondContact O-N 2.75Å; V925-S935 WeakPolarHBondContact CG2-O 3.43Å; V925-S935 PolarHBondContact N-O 3.4Å; V925-S935 PolarHBondContact O-N 2.9Å; V925-N937 HydrophobicContact CG1-CB 3.99Å; V925-N937 HydrophobicContact CG2-CB 3.88Å
926	E	57.3	Low	57.6	Low	114 Å²	114	71.2 Å²	71.2	53%	0.533	42%	0.415	S	S	.	.			trans	-97.4	118.6	176.5	-74.9	174.3	-170	0	0	110.4	N928 R934	E926-N928 PolarHBondContact O-N 3.45Å; E926-N928 VanDerWaalsContact O-N 3.13Å; E926-R934 HydrophobicContact CG-CG 3.9Å; E926-R934 IonicContact OE1-CZ 3.7Å; E926-R934 VanDerWaalsContact OE1-CZ 3.28Å; E926-R934 IonicContact OE1-NE 2.66Å; E926-R934 PolarHBondContact OE1-NE 3.05Å; E926-R934 IonicContact OE1-NH2 3.02Å; E926-R934 PolarHBondContact OE1-NH2 3.12Å
927	P	55	Low	58.3	Low	58 Å²	58	74.3 Å²	74.3	38%	0.377	43%	0.433	S	S	.	.			trans	-76.7	100.4	-178.1	29.4	-33.1	0	0	0	112.1	G929 I930 G933	P927-G929 PolarHBondContact O-N 2.86Å; P927-I930 PolarHBondContact O-N 3.02Å; P927-G933 WeakPolarHBondContact CD-O 3.46Å
928	N	46.9	Very low	58.4	Low	163 Å²	163	72.5 Å²	72.5	87%	0.872	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	28	161.3	-65.6	-14	0	0	0	117.3	E926 I930	E926-N928 PolarHBondContact O-N 3.45Å; E926-N928 VanDerWaalsContact O-N 3.13Å; N928-I930 VanDerWaalsContact C-N 3.32Å; N928-I930 PolarHBondContact O-N 3.01Å
929	G	43	Very low	58.3	Low	80 Å²	80	75.1 Å²	75.1	83%	0.825	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	9	169.4	0	0	0	0	0	116.1	P927	P927-G929 PolarHBondContact O-N 2.86Å
930	I	34.9	Very low	57.9	Low	117 Å²	117	80.9 Å²	80.9	60%	0.6	49%	0.487	S	S	*	.			trans	-82.2	135.9	168.1	-58.6	175.8	0	0	0	107.9	P927 N928 N932	P927-I930 PolarHBondContact O-N 3.02Å; N928-I930 VanDerWaalsContact C-N 3.32Å; N928-I930 PolarHBondContact O-N 3.01Å; I930-N932 PolarHBondContact O-N 2.65Å
931	S	33.3	Very low	57.7	Low	114 Å²	114	77.6 Å²	77.6	80%	0.797	49%	0.494	S	S	*	.	S	Bend	trans	-73.6	14.7	-167	51.3	0	0	0	0	116.2
932	N	41.4	Very low	57.4	Low	130 Å²	130	74.4 Å²	74.4	70%	0.695	48%	0.477	S	S	*	.	S	Bend	trans	-116.2	86.8	-166.2	-66	8.6	0	0	0	111.6	I930	I930-N932 PolarHBondContact O-N 2.65Å
933	G	53.6	Low	57.1	Low	45 Å²	45	78.9 Å²	78.9	46%	0.464	50%	0.501	S	S	.	.			trans	82.8	140.4	167.9	0	0	0	0	0	115.8	P927	P927-G933 WeakPolarHBondContact CD-O 3.46Å
934	R	60	Low	56.4	Low	65 Å²	65	81.6 Å²	81.6	25%	0.245	51%	0.512	C	S	.	.			trans	-82.7	152.4	164.1	-73.2	-178	170.2	161.9	-12.2	109.9	C913 N914 H916 E926	C913-R934 HydrophobicContact CB-CB 3.84Å; N914-R934 WeakPolarHBondContact OD1-CD 3.23Å; N914-R934 PolarHBondContact OD1-NH1 3.17Å; H916-R934 PolarHBondContact CE1-O 3.07Å; H916-R934 VanDerWaalsContact CE1-O 3.31Å; E926-R934 HydrophobicContact CG-CG 3.9Å; E926-R934 IonicContact OE1-CZ 3.7Å; E926-R934 VanDerWaalsContact OE1-CZ 3.28Å; E926-R934 IonicContact OE1-NE 2.66Å; E926-R934 PolarHBondContact OE1-NE 3.05Å; E926-R934 IonicContact OE1-NH2 3.02Å; E926-R934 PolarHBondContact OE1-NH2 3.12Å
935	S	62.2	Low	55.9	Low	36 Å²	36	87 Å²	87	25%	0.252	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.5	-174	175.7	0	0	0	0	111.4	V925 N937 Y948	V925-S935 WeakPolarHBondContact CG2-O 3.43Å; V925-S935 PolarHBondContact N-O 3.4Å; V925-S935 PolarHBondContact O-N 2.9Å; S935-N937 PolarHBondContact O-N 3.44Å; S935-Y948 PolarHBondContact OG-OH 2.82Å
936	C	68.8	Low	55.5	Low	3 Å²	3	86.5 Å²	86.5	2%	0.02	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.5	172.7	-62.8	0	0	0	0	110	C918 C938 Y948	C918-C936 WeakPolarHBondContact CA-SG 3.3Å; C918-C936 HydrophobicContact CB-CB 3.81Å; C918-C936 WeakPolarHBondContact CB-SG 3.04Å; C918-C936 WeakPolarHBondContact SG-CB 3.02Å; C918-C936 CovalentContact SG-SG 2.04Å; C918-C936 PolarHBondContact SG-SG 3.16Å; C936-C938 PolarHBondContact O-N 3.43Å; C936-C938 VanDerWaalsContact O-N 3.12Å; C936-C938 PolarHBondContact O-SG 3.03Å; C936-Y948 HydrophobicContact CB-CD2 4.2Å; C936-Y948 HydrophobicContact CB-CE1 4.48Å; C936-Y948 HydrophobicContact CB-CE2 4.01Å
937	N	73.2	Confident	56	Low	92 Å²	92	81 Å²	81	49%	0.492	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	100.9	172.6	-173.2	10.3	0	0	0	110	S922 T923 V925 S935 S939	S922-N937 VanDerWaalsContact CA-O 3.26Å; S922-N937 WeakPolarHBondContact CA-O 3.37Å; S922-N937 WeakPolarHBondContact CB-O 3.16Å; T923-N937 PolarHBondContact N-O 2.91Å; T923-N937 WeakPolarHBondContact O-CB 3.32Å; T923-N937 PolarHBondContact O-N 2.99Å; V925-N937 HydrophobicContact CG1-CB 3.99Å; V925-N937 HydrophobicContact CG2-CB 3.88Å; S935-N937 PolarHBondContact O-N 3.44Å; N937-S939 PolarHBondContact O-N 2.72Å
938	C	62.6	Low	56.1	Low	43 Å²	43	82.3 Å²	82.3	29%	0.291	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.9	-174.1	-45.8	0	0	0	0	111.8	C936 S940 C947	C936-C938 PolarHBondContact O-N 3.43Å; C936-C938 VanDerWaalsContact O-N 3.12Å; C936-C938 PolarHBondContact O-SG 3.03Å; C938-S940 PolarHBondContact O-N 2.84Å; C938-C947 WeakPolarHBondContact CA-SG 3.47Å; C938-C947 HydrophobicContact CB-CB 3.9Å; C938-C947 WeakPolarHBondContact CB-SG 3.39Å; C938-C947 WeakPolarHBondContact SG-CB 3.35Å; C938-C947 CovalentContact SG-SG 2.03Å; C938-C947 PolarHBondContact SG-SG 2.91Å
939	S	64.1	Low	56.5	Low	54 Å²	54	78.7 Å²	78.7	38%	0.378	49%	0.489	S	S	.	.			trans	-59.4	135.4	168.3	60.8	0	0	0	0	110.3	N921 N937 G941 L942	N921-S939 WeakPolarHBondContact O-CB 3.46Å; N921-S939 PolarHBondContact O-OG 2.73Å; N937-S939 PolarHBondContact O-N 2.72Å; S939-G941 PolarHBondContact O-N 3.21Å; S939-L942 PolarHBondContact O-N 3.28Å
940	S	58.9	Low	56.6	Low	131 Å²	131	78.5 Å²	78.5	92%	0.916	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	105.8	-169.5	56.8	0	0	0	0	113	C938	C938-S940 PolarHBondContact O-N 2.84Å
941	G	60	Low	57.1	Low	83 Å²	83	76 Å²	76	86%	0.856	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	142.6	-22.4	-177.7	0	0	0	0	0	113.8	S939	S939-G941 PolarHBondContact O-N 3.21Å
942	L	59.6	Low	57.7	Low	61 Å²	61	78.1 Å²	78.1	32%	0.319	47%	0.466	S	S	.	.			trans	-76.8	148.7	167.7	-70	161	0	0	0	110.8	A919 S939 A946 C947	A919-L942 HydrophobicContact CB-CD1 3.98Å; A919-L942 HydrophobicContact CB-CD2 4.42Å; S939-L942 PolarHBondContact O-N 3.28Å; L942-A946 HydrophobicContact CD2-CB 4.01Å; L942-C947 HydrophobicContact CB-CB 4.39Å
943	D	59.4	Low	58.3	Low	99 Å²	99	78 Å²	78	53%	0.529	47%	0.465	S	S	.	.			trans	-89.2	166.4	164.6	70.6	53.5	0	0	0	111.8	L945 A946 C947	D943-L945 PolarHBondContact O-N 2.96Å; D943-L945 VanDerWaalsContact O-N 3.14Å; D943-L945 WeakPolarHBondContact OD1-CA 3.33Å; D943-L945 WeakPolarHBondContact OD1-CB 3.05Å; D943-L945 PolarHBondContact OD1-N 3.21Å; D943-A946 PolarHBondContact O-N 3.29Å; D943-A946 PolarHBondContact OD1-N 2.71Å; D943-C947 VanDerWaalsContact O-CB 3.29Å; D943-C947 WeakPolarHBondContact O-CB 3.31Å; D943-C947 PolarHBondContact O-N 3.43Å
944	D	55.2	Low	58.5	Low	130 Å²	130	79.2 Å²	79.2	70%	0.695	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-24.5	-174.1	-55.5	-46.4	0	0	0	112.9	Y948	D944-Y948 VanDerWaalsContact O-CD2 3.25Å; D944-Y948 WeakPolarHBondContact O-CD2 3.04Å
945	L	55.8	Low	58.5	Low	150 Å²	150	77.3 Å²	77.3	79%	0.785	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-41.4	179.7	-165.4	72.1	0	0	0	111.4	D943 C947 Y948	D943-L945 PolarHBondContact O-N 2.96Å; D943-L945 VanDerWaalsContact O-N 3.14Å; D943-L945 WeakPolarHBondContact OD1-CA 3.33Å; D943-L945 WeakPolarHBondContact OD1-CB 3.05Å; D943-L945 PolarHBondContact OD1-N 3.21Å; L945-C947 PolarHBondContact O-N 2.03Å; L945-Y948 PolarHBondContact O-N 3.5Å
946	A	60.5	Low	59.1	Low	48 Å²	48	76.7 Å²	76.7	40%	0.397	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.6	174.9	0	0	0	0	0	112.6	L942 D943	L942-A946 HydrophobicContact CD2-CB 4.01Å; D943-A946 PolarHBondContact O-N 3.29Å; D943-A946 PolarHBondContact OD1-N 2.71Å
947	C	67.5	Low	59.1	Low	0 Å²	0	84 Å²	84	0%	0	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.8	-179.9	-175.2	0	0	0	0	114.1	C918 A919 S922 C938 L942 D943 L945	C918-C947 CarbonylContact C-O 3.58Å; C918-C947 VanDerWaalsContact CA-O 3.3Å; C918-C947 WeakPolarHBondContact CA-O 3.27Å; A919-C947 PolarHBondContact N-O 2.64Å; S922-C947 PolarHBondContact OG-O 2.04Å; C938-C947 WeakPolarHBondContact CA-SG 3.47Å; C938-C947 HydrophobicContact CB-CB 3.9Å; C938-C947 WeakPolarHBondContact CB-SG 3.39Å; C938-C947 WeakPolarHBondContact SG-CB 3.35Å; C938-C947 CovalentContact SG-SG 2.03Å; C938-C947 PolarHBondContact SG-SG 2.91Å; L942-C947 HydrophobicContact CB-CB 4.39Å; D943-C947 VanDerWaalsContact O-CB 3.29Å; D943-C947 WeakPolarHBondContact O-CB 3.31Å; D943-C947 PolarHBondContact O-N 3.43Å; L945-C947 PolarHBondContact O-N 2.03Å
948	Y	58.1	Low	58.6	Low	85 Å²	85	84 Å²	84	33%	0.333	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	95.1	-174.8	-75.1	-111.9	0	0	0	111.5	H916 K917 S935 C936 D944 L945 A950	H916-Y948 AromaticContact CD2-CD1 3.35Å; H916-Y948 WeakPolarHBondContact CD2-CD1 3.17Å; H916-Y948 AromaticContact CD2-CE1 3.79Å; H916-Y948 AromaticContact CE1-CD1 3.95Å; H916-Y948 AromaticContact CE1-CE1 3.77Å; H916-Y948 AromaticContact CG-CD1 3.91Å; H916-Y948 AromaticContact NE2-CD1 3.4Å; H916-Y948 WeakPolarHBondContact NE2-CD1 3.41Å; H916-Y948 AromaticContact NE2-CE1 3.28Å; H916-Y948 VanDerWaalsContact NE2-CE1 3.28Å; H916-Y948 WeakPolarHBondContact NE2-CE1 3.37Å; K917-Y948 CarbonylContact O-C 3.51Å; S935-Y948 PolarHBondContact OG-OH 2.82Å; C936-Y948 HydrophobicContact CB-CD2 4.2Å; C936-Y948 HydrophobicContact CB-CE1 4.48Å; C936-Y948 HydrophobicContact CB-CE2 4.01Å; D944-Y948 VanDerWaalsContact O-CD2 3.25Å; D944-Y948 WeakPolarHBondContact O-CD2 3.04Å; L945-Y948 PolarHBondContact O-N 3.5Å; Y948-A950 PolarHBondContact O-N 2.91Å
949	K	55.1	Low	58.7	Low	86 Å²	86	86.4 Å²	86.4	37%	0.374	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	81.6	169.9	-71.8	-173.3	-172.8	167.5	0	110.9	K917 C918 E920	K917-K949 CarbonylContact C-O 3.24Å; K917-K949 VanDerWaalsContact CA-O 3.27Å; K917-K949 WeakPolarHBondContact CA-O 3.2Å; K917-K949 HydrophobicContact CB-CB 3.69Å; K917-K949 VanDerWaalsContact CB-O 3.26Å; K917-K949 WeakPolarHBondContact CB-O 3.47Å; K917-K949 PolarHBondContact N-O 3.02Å; K917-K949 CarbonylContact O-C 3.44Å; K917-K949 WeakPolarHBondContact O-CA 3.36Å; K917-K949 PolarHBondContact O-N 3.13Å; C918-K949 VanDerWaalsContact O-CD 3.23Å; C918-K949 WeakPolarHBondContact O-CD 3.35Å; C918-K949 WeakPolarHBondContact O-CG 3.43Å; E920-K949 IonicContact OE1-NZ 3.78Å; E920-K949 PolarHBondContact OE1-NZ 2.78Å
950	A	45.3	Very low	59	Low	76 Å²	76	85 Å²	85	63%	0.628	50%	0.5	S	S	*	.			trans	-52.5	143.3	176.2	0	0	0	0	0	112.9	Y948	Y948-A950 PolarHBondContact O-N 2.91Å
951	P	45.4	Very low	59.8	Low	65 Å²	65	78.9 Å²	78.9	42%	0.422	46%	0.457	S	S	.	.			trans	-77.3	134.8	-179.9	5.7	13.9	0	0	0	108.7	D915 L953	D915-P951 WeakPolarHBondContact O-CD 3.2Å; D915-P951 WeakPolarHBondContact O-CG 3.33Å; P951-L953 HydrophobicContact CB-CD1 4.39Å; P951-L953 PolarHBondContact O-N 3.24Å
952	K	45.7	Very low	60.1	Low	158 Å²	158	76.6 Å²	76.6	69%	0.687	43%	0.434	S	S	*	.			trans	-77.1	79.9	169.2	-63	-167.4	-177.2	-168	0	109.5	Q971	K952-Q971 WeakPolarHBondContact CE-O 3.12Å; K952-Q971 PolarHBondContact NZ-O 3.16Å
953	L	52.7	Low	60.4	Low	129 Å²	129	81.9 Å²	81.9	68%	0.675	46%	0.461	S	S	*	.			trans	-53.2	149.4	161.3	-106.2	75.2	0	0	0	109.1	P951 P955	P951-L953 HydrophobicContact CB-CD1 4.39Å; P951-L953 PolarHBondContact O-N 3.24Å; L953-P955 WeakPolarHBondContact O-CD 3.42Å
954	N	57.4	Low	60.7	Low	69 Å²	69	82.2 Å²	82.2	37%	0.369	46%	0.458	S	S	.	.			trans	-88.6	102.8	170.1	-179.5	7.9	0	0	0	109	C956 Q957 S969	N954-C956 PolarHBondContact O-N 3.47Å; N954-C956 PolarHBondContact OD1-N 2.03Å; N954-Q957 HydrophobicContact CB-CG 4.22Å; N954-Q957 PolarHBondContact O-N 3.16Å; N954-Q957 VanDerWaalsContact O-N 3.11Å; N954-S969 WeakPolarHBondContact OD1-CB 3.28Å; N954-S969 PolarHBondContact OD1-OG 3.09Å
955	P	61.9	Low	61.5	Low	25 Å²	25	76.8 Å²	76.8	16%	0.162	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-62	-13.3	-176.9	26.8	-39.2	0	0	0	114.4	L953 Q957 S958 G973 N974 Y975	L953-P955 WeakPolarHBondContact O-CD 3.42Å; P955-Q957 VanDerWaalsContact C-N 3.26Å; P955-Q957 PolarHBondContact O-N 2.9Å; P955-S958 PolarHBondContact O-OG 3.12Å; P955-G973 WeakPolarHBondContact CG-O 3.44Å; P955-N974 VanDerWaalsContact CG-C 3.45Å; P955-N974 WeakPolarHBondContact CG-O 3.44Å; P955-Y975 HydrophobicContact CB-CD1 3.85Å; P955-Y975 HydrophobicContact CB-CG 4.37Å; P955-Y975 HydrophobicContact CG-CD1 4.49Å
956	C	75	Confident	62.6	Low	23 Å²	23	75.6 Å²	75.6	16%	0.155	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-76.5	-6.2	175.7	-69.1	0	0	0	0	114.7	N954 S958 S959 C967	N954-C956 PolarHBondContact O-N 3.47Å; N954-C956 PolarHBondContact OD1-N 2.03Å; C956-S958 PolarHBondContact O-N 2.83Å; C956-S959 PolarHBondContact O-N 2.92Å; C956-C967 WeakPolarHBondContact CA-SG 2.92Å; C956-C967 HydrophobicContact CB-CB 3.68Å; C956-C967 WeakPolarHBondContact CB-SG 3.33Å; C956-C967 WeakPolarHBondContact SG-CB 3.14Å; C956-C967 CovalentContact SG-SG 2.04Å; C956-C967 PolarHBondContact SG-SG 2.93Å
957	Q	68	Low	63.6	Low	156 Å²	156	74.6 Å²	74.6	73%	0.729	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-69.8	-16.8	-179.6	-70.4	-176	-96.8	0	0	114.3	N954 P955	N954-Q957 HydrophobicContact CB-CG 4.22Å; N954-Q957 PolarHBondContact O-N 3.16Å; N954-Q957 VanDerWaalsContact O-N 3.11Å; P955-Q957 VanDerWaalsContact C-N 3.26Å; P955-Q957 PolarHBondContact O-N 2.9Å
958	S	61.8	Low	64.2	Low	94 Å²	94	79.3 Å²	79.3	66%	0.657	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-95.9	12	176.4	53.4	0	0	0	0	114.1	P955 C956 P960	P955-S958 PolarHBondContact O-OG 3.12Å; C956-S958 PolarHBondContact O-N 2.83Å; S958-P960 VanDerWaalsContact C-CD 3.41Å; S958-P960 VanDerWaalsContact C-N 3.32Å
959	S	66.1	Low	64.8	Low	92 Å²	92	78.4 Å²	78.4	64%	0.643	44%	0.439	S	S	*	.			trans	46.9	41.9	-175.6	-62.8	0	0	0	0	115.3	C956 C961 G962	C956-S959 PolarHBondContact O-N 2.92Å; S959-C961 PolarHBondContact O-N 2.04Å; S959-G962 PolarHBondContact O-N 2.97Å; S959-G962 VanDerWaalsContact O-N 3.13Å
960	P	70	Confident	65.6	Low	25 Å²	25	77.4 Å²	77.4	16%	0.162	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	2.5	-167	34.5	-40.9	0	0	0	114.7	S958 Y975	S958-P960 VanDerWaalsContact C-CD 3.41Å; S958-P960 VanDerWaalsContact C-N 3.32Å; P960-Y975 HydrophobicContact CB-CD2 4.14Å; P960-Y975 HydrophobicContact CB-CE1 4.16Å; P960-Y975 HydrophobicContact CB-CE2 3.53Å; P960-Y975 HydrophobicContact CG-CD1 4.07Å; P960-Y975 HydrophobicContact CG-CD2 3.48Å; P960-Y975 VanDerWaalsContact CG-CD2 3.48Å; P960-Y975 HydrophobicContact CG-CE1 4.05Å; P960-Y975 HydrophobicContact CG-CE2 3.43Å; P960-Y975 VanDerWaalsContact CG-CE2 3.43Å; P960-Y975 HydrophobicContact CG-CG 3.8Å
961	C	74.5	Confident	66.4	Low	2 Å²	2	77.9 Å²	77.9	1%	0.014	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-7.6	178.2	-62.2	0	0	0	0	113.7	S959 G965 C967 C977 P989 C990	S959-C961 PolarHBondContact O-N 2.04Å; C961-G965 WeakPolarHBondContact CB-O 3.34Å; C961-C967 HydrophobicContact CB-CB 4.3Å; C961-C967 VanDerWaalsContact SG-CA 3.58Å; C961-C967 VanDerWaalsContact SG-CB 3.51Å; C961-C967 VanDerWaalsContact SG-SG 3.7Å; C961-C977 WeakPolarHBondContact CA-SG 3.03Å; C961-C977 HydrophobicContact CB-CB 3.56Å; C961-C977 WeakPolarHBondContact CB-SG 3.42Å; C961-C977 WeakPolarHBondContact SG-CA 3.01Å; C961-C977 WeakPolarHBondContact SG-CB 3.42Å; C961-C977 CovalentContact SG-SG 2.03Å; C961-C977 PolarHBondContact SG-SG 2.89Å; C961-P989 VanDerWaalsContact O-CB 3.29Å; C961-P989 WeakPolarHBondContact O-CB 3.36Å; C961-C990 WeakPolarHBondContact O-CB 3.27Å; C961-C990 PolarHBondContact O-N 2.95Å
962	G	67.5	Low	67	Low	36 Å²	36	79.2 Å²	79.2	37%	0.371	43%	0.43	S	S	.	.			trans	67.6	179.2	-178.7	0	0	0	0	0	114.1	S959 F964 G965	S959-G962 PolarHBondContact O-N 2.97Å; S959-G962 VanDerWaalsContact O-N 3.13Å; G962-F964 PolarHBondContact O-N 3.38Å; G962-G965 PolarHBondContact O-N 3.5Å; G962-G965 VanDerWaalsContact O-N 3.15Å
963	L	64.5	Low	67.7	Low	172 Å²	172	73.3 Å²	73.3	90%	0.901	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.3	-173.6	-81	157.6	0	0	0	115.1
964	F	67.7	Low	68.3	Low	106 Å²	106	72 Å²	72	47%	0.465	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	5.7	-175.3	-52.1	-66	0	0	0	114.4	G962 K980 C990	G962-F964 PolarHBondContact O-N 3.38Å; F964-K980 PolarHBondContact O-N 2.99Å; F964-K980 VanDerWaalsContact O-N 3.13Å; F964-C990 HydrophobicContact CB-CB 4.47Å
965	G	70	Confident	69.1	Low	15 Å²	15	72.2 Å²	72.2	16%	0.155	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.7	-172.7	0	0	0	0	0	114	C961 G962 C967 C990	C961-G965 WeakPolarHBondContact CB-O 3.34Å; G962-G965 PolarHBondContact O-N 3.5Å; G962-G965 VanDerWaalsContact O-N 3.15Å; G965-C967 PolarHBondContact O-N 3Å; G965-C990 WeakPolarHBondContact CA-SG 3.37Å
966	H	80.8	Confident	69.8	Low	126 Å²	126	74.7 Å²	74.7	58%	0.583	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.5	175.4	-154.2	-50.6	0	0	0	110.2	E978	H966-E978 HydrophobicContact CB-CB 4.35Å; H966-E978 PolarHBondContact N-O 2.89Å; H966-E978 PolarHBondContact O-N 2.85Å
967	C	80.5	Confident	69.9	Low	27 Å²	27	73.7 Å²	73.7	18%	0.182	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.8	179.4	-164.7	0	0	0	0	111.6	C956 C961 G965 H976	C956-C967 WeakPolarHBondContact CA-SG 2.92Å; C956-C967 HydrophobicContact CB-CB 3.68Å; C956-C967 WeakPolarHBondContact CB-SG 3.33Å; C956-C967 WeakPolarHBondContact SG-CB 3.14Å; C956-C967 CovalentContact SG-SG 2.04Å; C956-C967 PolarHBondContact SG-SG 2.93Å; C961-C967 HydrophobicContact CB-CB 4.3Å; C961-C967 VanDerWaalsContact SG-CA 3.58Å; C961-C967 VanDerWaalsContact SG-CB 3.51Å; C961-C967 VanDerWaalsContact SG-SG 3.7Å; G965-C967 PolarHBondContact O-N 3Å; C967-H976 CarbonylContact C-O 3.37Å; C967-H976 WeakPolarHBondContact CA-O 3.48Å
968	K	81.1	Confident	70.3	Confident	98 Å²	98	70.1 Å²	70.1	43%	0.426	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.3	168.7	-74.5	-172.7	178.8	168.2	0	110.4	Y975 H976 E978	K968-Y975 CarbonylContact O-C 3.31Å; K968-Y975 WeakPolarHBondContact O-CA 3.31Å; K968-H976 PolarHBondContact N-O 2.8Å; K968-H976 PolarHBondContact O-N 3.23Å; K968-E978 HydrophobicContact CD-CG 4.48Å; K968-E978 WeakPolarHBondContact CD-OE1 3.44Å; K968-E978 VanDerWaalsContact CE-CD 3.43Å; K968-E978 WeakPolarHBondContact CE-OE1 3.05Å; K968-E978 WeakPolarHBondContact CE-OE2 3.01Å; K968-E978 IonicContact NZ-OE1 3.44Å; K968-E978 PolarHBondContact NZ-OE1 2.04Å; K968-E978 IonicContact NZ-OE2 3.93Å; K968-E978 PolarHBondContact NZ-OE2 2.93Å
969	S	70.6	Confident	70.9	Confident	66 Å²	66	67.1 Å²	67.1	46%	0.462	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	122.7	178.3	-154.1	0	0	0	0	110.4	N954	N954-S969 WeakPolarHBondContact OD1-CB 3.28Å; N954-S969 PolarHBondContact OD1-OG 3.09Å
970	L	70.6	Confident	71	Confident	66 Å²	66	69.3 Å²	69.3	35%	0.346	37%	0.367	S	S	.	.			trans	-93.2	141.1	174.4	-53.2	173.8	0	0	0	109.6	N972 G973 N974 H976	L970-N972 WeakPolarHBondContact CB-OD1 3.01Å; L970-N972 PolarHBondContact O-N 3.49Å; L970-G973 PolarHBondContact O-N 3.18Å; L970-N974 WeakPolarHBondContact CA-O 3.05Å; L970-N974 WeakPolarHBondContact CB-O 3.42Å; L970-N974 HydrophobicContact CD1-CB 4.07Å; L970-N974 PolarHBondContact N-O 3.15Å; L970-H976 HydrophobicContact CD1-CB 4.19Å; L970-H976 HydrophobicContact CD2-CB 4.08Å; L970-H976 HydrophobicContact CG-CB 4.2Å
971	Q	62.8	Low	70.7	Confident	86 Å²	86	74.7 Å²	74.7	40%	0.402	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-8.6	-175.4	-80.7	-165.1	-7.7	0	0	115.5	I136 K952	I136-Q971 HydrophobicContact CD1-CB 4.34Å; I136-Q971 HydrophobicContact CD1-CG 3.85Å; I136-Q971 HydrophobicContact CG1-CG 4.04Å; K952-Q971 WeakPolarHBondContact CE-O 3.12Å; K952-Q971 PolarHBondContact NZ-O 3.16Å
972	N	58.6	Low	69.8	Low	92 Å²	92	76.4 Å²	76.4	49%	0.492	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	12.4	175	53.7	-68.9	0	0	0	114.1	L970 N974	L970-N972 WeakPolarHBondContact CB-OD1 3.01Å; L970-N972 PolarHBondContact O-N 3.49Å; N972-N974 VanDerWaalsContact C-N 3.26Å; N972-N974 PolarHBondContact O-N 3.47Å
973	G	58.6	Low	69.4	Low	35 Å²	35	77.3 Å²	77.3	36%	0.361	41%	0.405	S	S	.	.	S	Bend	trans	82.3	-4	175.8	0	0	0	0	0	114.9	P955 L970	P955-G973 WeakPolarHBondContact CG-O 3.44Å; L970-G973 PolarHBondContact O-N 3.18Å
974	N	65.7	Low	69.1	Low	100 Å²	100	71.9 Å²	71.9	54%	0.535	37%	0.374	S	S	.	.			trans	-82.6	161.1	164.2	-83	13.8	0	0	0	110.9	P955 L970 N972	P955-N974 VanDerWaalsContact CG-C 3.45Å; P955-N974 WeakPolarHBondContact CG-O 3.44Å; L970-N974 WeakPolarHBondContact CA-O 3.05Å; L970-N974 WeakPolarHBondContact CB-O 3.42Å; L970-N974 HydrophobicContact CD1-CB 4.07Å; L970-N974 PolarHBondContact N-O 3.15Å; N972-N974 VanDerWaalsContact C-N 3.26Å; N972-N974 PolarHBondContact O-N 3.47Å
975	Y	74	Confident	68.5	Low	75 Å²	75	70.5 Å²	70.5	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	163.7	166.6	57.7	-75.2	0	0	0	110.5	P955 P960 K968 T988	P955-Y975 HydrophobicContact CB-CD1 3.85Å; P955-Y975 HydrophobicContact CB-CG 4.37Å; P955-Y975 HydrophobicContact CG-CD1 4.49Å; P960-Y975 HydrophobicContact CB-CD2 4.14Å; P960-Y975 HydrophobicContact CB-CE1 4.16Å; P960-Y975 HydrophobicContact CB-CE2 3.53Å; P960-Y975 HydrophobicContact CG-CD1 4.07Å; P960-Y975 HydrophobicContact CG-CD2 3.48Å; P960-Y975 VanDerWaalsContact CG-CD2 3.48Å; P960-Y975 HydrophobicContact CG-CE1 4.05Å; P960-Y975 HydrophobicContact CG-CE2 3.43Å; P960-Y975 VanDerWaalsContact CG-CE2 3.43Å; P960-Y975 HydrophobicContact CG-CG 3.8Å; K968-Y975 CarbonylContact O-C 3.31Å; K968-Y975 WeakPolarHBondContact O-CA 3.31Å; Y975-T988 HydrophobicContact CE2-CG2 3.63Å; Y975-T988 PolarHBondContact OH-OG1 2.84Å
976	H	77.7	Confident	67.8	Low	76 Å²	76	73.8 Å²	73.8	35%	0.352	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.1	167	179.6	59.9	0	0	0	108.5	C967 K968 L970	C967-H976 CarbonylContact C-O 3.37Å; C967-H976 WeakPolarHBondContact CA-O 3.48Å; K968-H976 PolarHBondContact N-O 2.8Å; K968-H976 PolarHBondContact O-N 3.23Å; L970-H976 HydrophobicContact CD1-CB 4.19Å; L970-H976 HydrophobicContact CD2-CB 4.08Å; L970-H976 HydrophobicContact CG-CB 4.2Å
977	C	77.4	Confident	66.5	Low	3 Å²	3	75.2 Å²	75.2	2%	0.02	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.4	175.8	-52.1	0	0	0	0	110.1	C961 C979 L985 C990	C961-C977 WeakPolarHBondContact CA-SG 3.03Å; C961-C977 HydrophobicContact CB-CB 3.56Å; C961-C977 WeakPolarHBondContact CB-SG 3.42Å; C961-C977 WeakPolarHBondContact SG-CA 3.01Å; C961-C977 WeakPolarHBondContact SG-CB 3.42Å; C961-C977 CovalentContact SG-SG 2.03Å; C961-C977 PolarHBondContact SG-SG 2.89Å; C977-C979 PolarHBondContact O-N 3.08Å; C977-L985 HydrophobicContact CB-CD2 3.8Å; C977-L985 HydrophobicContact CB-CG 4.38Å; C977-C990 VanDerWaalsContact CB-SG 3.57Å
978	E	76.6	Confident	65.4	Low	81 Å²	81	76.4 Å²	76.4	38%	0.379	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	98.6	168.4	-68.4	179.8	173.9	0	0	108	H966 K968	H966-E978 HydrophobicContact CB-CB 4.35Å; H966-E978 PolarHBondContact N-O 2.89Å; H966-E978 PolarHBondContact O-N 2.85Å; K968-E978 HydrophobicContact CD-CG 4.48Å; K968-E978 WeakPolarHBondContact CD-OE1 3.44Å; K968-E978 VanDerWaalsContact CE-CD 3.43Å; K968-E978 WeakPolarHBondContact CE-OE1 3.05Å; K968-E978 WeakPolarHBondContact CE-OE2 3.01Å; K968-E978 IonicContact NZ-OE1 3.44Å; K968-E978 PolarHBondContact NZ-OE1 2.04Å; K968-E978 IonicContact NZ-OE2 3.93Å; K968-E978 PolarHBondContact NZ-OE2 2.93Å
979	C	74.4	Confident	64.3	Low	30 Å²	30	74.7 Å²	74.7	20%	0.203	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.2	178	-46.3	0	0	0	0	110.2	C977 R983 C990	C977-C979 PolarHBondContact O-N 3.08Å; C979-R983 HydrophobicContact CB-CB 3.75Å; C979-C990 WeakPolarHBondContact CA-SG 3.44Å; C979-C990 HydrophobicContact CB-CB 3.68Å; C979-C990 WeakPolarHBondContact CB-SG 3.25Å; C979-C990 WeakPolarHBondContact SG-CB 3.42Å; C979-C990 CovalentContact SG-SG 2.03Å; C979-C990 PolarHBondContact SG-SG 3.08Å
980	K	66.6	Low	63.9	Low	139 Å²	139	71.8 Å²	71.8	60%	0.604	38%	0.381	S	S	*	.	S	Bend	trans	-73.4	159.2	171.2	-79	-170	173.2	-176	0	111.7	F964 G982 R983	F964-K980 PolarHBondContact O-N 2.99Å; F964-K980 VanDerWaalsContact O-N 3.13Å; K980-G982 PolarHBondContact O-N 3.44Å; K980-R983 WeakPolarHBondContact O-CB 3.27Å; K980-R983 WeakPolarHBondContact O-CD 3.14Å; K980-R983 WeakPolarHBondContact O-CG 3.28Å; K980-R983 PolarHBondContact O-N 2.83Å
981	D	64.6	Low	63.1	Low	137 Å²	137	72.6 Å²	72.6	73%	0.733	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	59.6	158.3	-49.3	-37.4	0	0	0	115.5	R983	D981-R983 PolarHBondContact O-N 2.77Å; D981-R983 VanDerWaalsContact O-N 3.14Å
982	G	55.1	Low	62.6	Low	39 Å²	39	74.3 Å²	74.3	40%	0.402	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	0.4	171.4	0	0	0	0	0	115.7	K980 L995	K980-G982 PolarHBondContact O-N 3.44Å; G982-L995 WeakPolarHBondContact O-CD1 3.44Å
983	R	58.7	Low	62.2	Low	54 Å²	54	70.9 Å²	70.9	20%	0.204	38%	0.375	C	S	.	.			trans	-77	156.8	179.7	-60.5	171.3	-163.3	-111.2	-15.3	110.7	C979 K980 D981 I991 E992	C979-R983 HydrophobicContact CB-CB 3.75Å; K980-R983 WeakPolarHBondContact O-CB 3.27Å; K980-R983 WeakPolarHBondContact O-CD 3.14Å; K980-R983 WeakPolarHBondContact O-CG 3.28Å; K980-R983 PolarHBondContact O-N 2.83Å; D981-R983 PolarHBondContact O-N 2.77Å; D981-R983 VanDerWaalsContact O-N 3.14Å; R983-I991 WeakPolarHBondContact CB-O 3.34Å; R983-E992 IonicContact CZ-OE1 2.75Å; R983-E992 IonicContact NH1-OE1 2.72Å; R983-E992 PolarHBondContact NH1-OE1 2.85Å; R983-E992 IonicContact NH2-OE1 2.92Å; R983-E992 PolarHBondContact NH2-OE1 2.81Å
984	K	58.7	Low	61.7	Low	59 Å²	59	72.7 Å²	72.7	26%	0.257	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	157.1	-179.5	-51.3	178	-168.1	131.7	0	111.5	I986 V993 N994 L995 C997	K984-I986 PolarHBondContact O-N 3.46Å; K984-V993 HydrophobicContact CB-CB 3.71Å; K984-V993 HydrophobicContact CB-CG1 3.93Å; K984-V993 HydrophobicContact CB-CG2 3.9Å; K984-V993 HydrophobicContact CD-CB 4.36Å; K984-V993 HydrophobicContact CD-CG1 3.76Å; K984-V993 HydrophobicContact CG-CB 3.99Å; K984-V993 HydrophobicContact CG-CG1 3.97Å; K984-V993 VanDerWaalsContact O-CG2 3.24Å; K984-V993 WeakPolarHBondContact O-CG2 3.27Å; K984-N994 PolarHBondContact NZ-O 3Å; K984-L995 HydrophobicContact CG-CD1 4.31Å; K984-L995 PolarHBondContact NZ-O 2.84Å; K984-C997 PolarHBondContact NZ-O 3.44Å
985	L	55.1	Low	61.1	Low	77 Å²	77	73 Å²	73	40%	0.403	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	110.8	163.5	-83.8	156.5	0	0	0	110.3	C977 T988	C977-L985 HydrophobicContact CB-CD2 3.8Å; C977-L985 HydrophobicContact CB-CG 4.38Å; L985-T988 HydrophobicContact CD2-CG2 3.34Å
986	I	54.8	Low	60.3	Low	83 Å²	83	71.8 Å²	71.8	43%	0.426	38%	0.375	S	S	.	.	S	Bend	trans	-119	111.5	156.3	-68.7	175	0	0	0	106.1	K984 T988 I991 V993	K984-I986 PolarHBondContact O-N 3.46Å; I986-T988 PolarHBondContact O-N 3.37Å; I986-I991 HydrophobicContact CB-CD1 3.88Å; I986-I991 HydrophobicContact CB-CG1 4.41Å; I986-I991 HydrophobicContact CG2-CD1 4.01Å; I986-V993 HydrophobicContact CB-CG2 4.41Å; I986-V993 HydrophobicContact CD1-CB 4.37Å; I986-V993 HydrophobicContact CD1-CG1 3.88Å; I986-V993 HydrophobicContact CD1-CG2 3.54Å; I986-V993 HydrophobicContact CG1-CG2 3.79Å
987	N	53.3	Low	59.7	Low	157 Å²	157	69.5 Å²	69.5	84%	0.84	37%	0.367	S	S	*	.	S	Bend	trans	52.8	4.7	174.2	-60.7	-7.1	0	0	0	118.5
988	T	58.4	Low	59.1	Low	51 Å²	51	71.4 Å²	71.4	31%	0.313	38%	0.38	S	S	.	.	S	Bend	trans	60.7	120.6	-174.2	46.4	0	0	0	0	113	Y975 L985 I986	Y975-T988 HydrophobicContact CE2-CG2 3.63Å; Y975-T988 PolarHBondContact OH-OG1 2.84Å; L985-T988 HydrophobicContact CD2-CG2 3.34Å; I986-T988 PolarHBondContact O-N 3.37Å
989	P	57.4	Low	58.4	Low	62 Å²	62	73.8 Å²	73.8	40%	0.403	40%	0.4	S	S	.	.	S	Bend	cis	-81.7	-172.4	21.9	33.5	-39.4	0	0	0	116.1	C961 I991	C961-P989 VanDerWaalsContact O-CB 3.29Å; C961-P989 WeakPolarHBondContact O-CB 3.36Å; P989-I991 PolarHBondContact O-N 3.46Å; P989-I991 VanDerWaalsContact O-N 3.11Å
990	C	62.6	Low	57.9	Low	5 Å²	5	79.7 Å²	79.7	3%	0.034	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	94	167.5	-77	0	0	0	0	110.7	C961 F964 G965 C977 C979	C961-C990 WeakPolarHBondContact O-CB 3.27Å; C961-C990 PolarHBondContact O-N 2.95Å; F964-C990 HydrophobicContact CB-CB 4.47Å; G965-C990 WeakPolarHBondContact CA-SG 3.37Å; C977-C990 VanDerWaalsContact CB-SG 3.57Å; C979-C990 WeakPolarHBondContact CA-SG 3.44Å; C979-C990 HydrophobicContact CB-CB 3.68Å; C979-C990 WeakPolarHBondContact CB-SG 3.25Å; C979-C990 WeakPolarHBondContact SG-CB 3.42Å; C979-C990 CovalentContact SG-SG 2.03Å; C979-C990 PolarHBondContact SG-SG 3.08Å
991	I	54.4	Low	57.8	Low	83 Å²	83	73.1 Å²	73.1	43%	0.426	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	156.7	174.1	-39.3	-171.3	0	0	0	109.3	R983 I986 P989 V993	R983-I991 WeakPolarHBondContact CB-O 3.34Å; I986-I991 HydrophobicContact CB-CD1 3.88Å; I986-I991 HydrophobicContact CB-CG1 4.41Å; I986-I991 HydrophobicContact CG2-CD1 4.01Å; P989-I991 PolarHBondContact O-N 3.46Å; P989-I991 VanDerWaalsContact O-N 3.11Å; I991-V993 HydrophobicContact CB-CG2 3.98Å; I991-V993 PolarHBondContact O-N 3.41Å
992	E	51.2	Low	57.7	Low	122 Å²	122	67.7 Å²	67.7	57%	0.57	37%	0.368	S	S	*	.			trans	-68.6	73.4	166.2	-168.8	154.8	-107.2	0	0	110.9	R983 N994	R983-E992 IonicContact CZ-OE1 2.75Å; R983-E992 IonicContact NH1-OE1 2.72Å; R983-E992 PolarHBondContact NH1-OE1 2.85Å; R983-E992 IonicContact NH2-OE1 2.92Å; R983-E992 PolarHBondContact NH2-OE1 2.81Å; E992-N994 PolarHBondContact O-N 3.32Å
993	V	50.9	Low	58.3	Low	20 Å²	20	73.8 Å²	73.8	12%	0.121	38%	0.384	C	S	.	.			trans	-82.1	102.1	-179.7	-172.4	0	0	0	0	109	K984 I986 I991 L995	K984-V993 HydrophobicContact CB-CB 3.71Å; K984-V993 HydrophobicContact CB-CG1 3.93Å; K984-V993 HydrophobicContact CB-CG2 3.9Å; K984-V993 HydrophobicContact CD-CB 4.36Å; K984-V993 HydrophobicContact CD-CG1 3.76Å; K984-V993 HydrophobicContact CG-CB 3.99Å; K984-V993 HydrophobicContact CG-CG1 3.97Å; K984-V993 VanDerWaalsContact O-CG2 3.24Å; K984-V993 WeakPolarHBondContact O-CG2 3.27Å; I986-V993 HydrophobicContact CB-CG2 4.41Å; I986-V993 HydrophobicContact CD1-CB 4.37Å; I986-V993 HydrophobicContact CD1-CG1 3.88Å; I986-V993 HydrophobicContact CD1-CG2 3.54Å; I986-V993 HydrophobicContact CG1-CG2 3.79Å; I991-V993 HydrophobicContact CB-CG2 3.98Å; I991-V993 PolarHBondContact O-N 3.41Å; V993-L995 PolarHBondContact O-N 2.65Å
994	N	48.9	Very low	59	Low	74 Å²	74	72.8 Å²	72.8	40%	0.396	38%	0.384	S	S	.	.			trans	-34	100.4	164.1	-65.2	-40.9	0	0	0	110.7	K984 E992 E996 C997 P1013	K984-N994 PolarHBondContact NZ-O 3Å; E992-N994 PolarHBondContact O-N 3.32Å; N994-E996 PolarHBondContact O-N 2.87Å; N994-C997 HydrophobicContact CB-CB 4.26Å; N994-C997 CarbonylContact O-C 3.17Å; N994-C997 PolarHBondContact O-N 2.79Å; N994-P1013 HydrophobicContact CB-CB 4.03Å; N994-P1013 HydrophobicContact CB-CG 4.26Å
995	L	52.8	Low	59.7	Low	107 Å²	107	70.6 Å²	70.6	56%	0.56	38%	0.376	S	S	*	.	S	Bend	trans	-59.4	-39.8	-172.1	-166.1	85.2	0	0	0	110	G982 K984 V993 C997 S998	G982-L995 WeakPolarHBondContact O-CD1 3.44Å; K984-L995 HydrophobicContact CG-CD1 4.31Å; K984-L995 PolarHBondContact NZ-O 2.84Å; V993-L995 PolarHBondContact O-N 2.65Å; L995-C997 VanDerWaalsContact C-N 3.34Å; L995-C997 PolarHBondContact O-N 3.4Å; L995-S998 PolarHBondContact O-N 3.27Å
996	E	56.5	Low	60.4	Low	49 Å²	49	74.1 Å²	74.1	23%	0.229	40%	0.395	C	S	.	.	S	Bend	trans	-44.3	-49.6	170.8	-60.6	171.2	-175.5	0	0	112.6	N994 S998 A1001 P1013 F1014 N1016 T1017	N994-E996 PolarHBondContact O-N 2.87Å; E996-S998 PolarHBondContact O-N 2.77Å; E996-A1001 VanDerWaalsContact O-CB 3.31Å; E996-A1001 WeakPolarHBondContact O-CB 3.44Å; E996-P1013 VanDerWaalsContact OE2-C 3.28Å; E996-P1013 WeakPolarHBondContact OE2-CA 3.16Å; E996-P1013 WeakPolarHBondContact OE2-CB 3.1Å; E996-F1014 PolarHBondContact OE2-N 3.14Å; E996-N1016 WeakPolarHBondContact OE1-CA 3.46Å; E996-N1016 PolarHBondContact OE1-N 2.85Å; E996-T1017 WeakPolarHBondContact CB-O 3.09Å
997	C	65	Low	60.9	Low	28 Å²	28	73.7 Å²	73.7	19%	0.189	39%	0.394	C	S	.	.	S	Bend	trans	-81.1	66.4	171.6	-72.1	0	0	0	0	111.7	K984 N994 L995 C1011 V1012	K984-C997 PolarHBondContact NZ-O 3.44Å; N994-C997 HydrophobicContact CB-CB 4.26Å; N994-C997 CarbonylContact O-C 3.17Å; N994-C997 PolarHBondContact O-N 2.79Å; L995-C997 VanDerWaalsContact C-N 3.34Å; L995-C997 PolarHBondContact O-N 3.4Å; C997-C1011 WeakPolarHBondContact CA-SG 2.85Å; C997-C1011 HydrophobicContact CB-CB 3.89Å; C997-C1011 WeakPolarHBondContact CB-SG 3.43Å; C997-C1011 WeakPolarHBondContact SG-CB 3.36Å; C997-C1011 PolarHBondContact SG-O 3.48Å; C997-C1011 VanDerWaalsContact SG-O 3.35Å; C997-C1011 CovalentContact SG-SG 2.05Å; C997-C1011 PolarHBondContact SG-SG 2.76Å; C997-V1012 PolarHBondContact SG-N 3.34Å
998	S	65.3	Low	61.2	Low	42 Å²	42	70.8 Å²	70.8	29%	0.294	38%	0.383	S	S	.	.			trans	-74.2	168	168.1	67.4	0	0	0	0	112.2	L995 E996 F1000 A1001 A1002	L995-S998 PolarHBondContact O-N 3.27Å; E996-S998 PolarHBondContact O-N 2.77Å; S998-F1000 PolarHBondContact O-N 2.82Å; S998-F1000 VanDerWaalsContact O-N 3.12Å; S998-F1000 PolarHBondContact OG-N 3.17Å; S998-A1001 WeakPolarHBondContact O-CA 3.18Å; S998-A1001 WeakPolarHBondContact O-CB 3Å; S998-A1001 PolarHBondContact O-N 3.39Å; S998-A1001 PolarHBondContact OG-N 2.86Å; S998-A1002 PolarHBondContact O-N 3.09Å
999	V	60.8	Low	61.7	Low	131 Å²	131	74 Å²	74	79%	0.794	40%	0.403	S	S	*	.	H	α-helix	trans	-54.2	-30.9	170.8	-177.7	0	0	0	0	111.6	F1003	V999-F1003 WeakPolarHBondContact O-CB 3.41Å; V999-F1003 PolarHBondContact O-N 3.09Å
1000	F	65.5	Low	62.3	Low	155 Å²	155	71.6 Å²	71.6	68%	0.68	39%	0.388	S	S	*	.	H	α-helix	trans	-70.5	-39.9	175	-165.9	-92.1	0	0	0	112.3	S998 F1003 V1004	S998-F1000 PolarHBondContact O-N 2.82Å; S998-F1000 VanDerWaalsContact O-N 3.12Å; S998-F1000 PolarHBondContact OG-N 3.17Å; F1000-F1003 PolarHBondContact O-N 2.97Å; F1000-V1004 HydrophobicContact CD1-CG2 4.24Å; F1000-V1004 HydrophobicContact CE1-CG2 4.1Å; F1000-V1004 VanDerWaalsContact O-CG2 3.27Å; F1000-V1004 WeakPolarHBondContact O-CG2 3.05Å; F1000-V1004 PolarHBondContact O-N 2.74Å
1001	A	63.2	Low	63	Low	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-66.5	-45.9	174.5	0	0	0	0	0	111.7	E996 S998 F1003 V1004 C1005 F1018	E996-A1001 VanDerWaalsContact O-CB 3.31Å; E996-A1001 WeakPolarHBondContact O-CB 3.44Å; S998-A1001 WeakPolarHBondContact O-CA 3.18Å; S998-A1001 WeakPolarHBondContact O-CB 3Å; S998-A1001 PolarHBondContact O-N 3.39Å; S998-A1001 PolarHBondContact OG-N 2.86Å; A1001-F1003 VanDerWaalsContact C-N 3.29Å; A1001-F1003 PolarHBondContact O-N 2.89Å; A1001-V1004 CarbonylContact O-C 3.45Å; A1001-V1004 WeakPolarHBondContact O-CA 3.31Å; A1001-V1004 PolarHBondContact O-N 3.24Å; A1001-C1005 PolarHBondContact O-N 3.24Å; A1001-C1005 PolarHBondContact O-SG 3.39Å; A1001-F1018 HydrophobicContact CB-CB 3.98Å; A1001-F1018 HydrophobicContact CB-CD1 3.47Å; A1001-F1018 VanDerWaalsContact CB-CD1 3.47Å; A1001-F1018 HydrophobicContact CB-CD2 3.79Å; A1001-F1018 HydrophobicContact CB-CE1 3.8Å; A1001-F1018 HydrophobicContact CB-CE2 4.1Å; A1001-F1018 HydrophobicContact CB-CG 3.46Å; A1001-F1018 VanDerWaalsContact CB-CG 3.46Å; A1001-F1018 HydrophobicContact CB-CZ 4.11Å
1002	A	62.3	Low	63.9	Low	23 Å²	23	70.8 Å²	70.8	19%	0.19	39%	0.388	C	S	.	.	H	α-helix	trans	-56.3	-41.7	173.3	0	0	0	0	0	112.3	S998 V1004 C1005 N1006 P1008	S998-A1002 PolarHBondContact O-N 3.09Å; A1002-V1004 VanDerWaalsContact C-N 3.34Å; A1002-V1004 PolarHBondContact O-N 2.98Å; A1002-C1005 PolarHBondContact O-N 3.04Å; A1002-N1006 PolarHBondContact O-N 3.38Å; A1002-P1008 HydrophobicContact CB-CB 4.01Å
1003	F	69	Low	64.7	Low	167 Å²	167	67.5 Å²	67.5	73%	0.732	38%	0.377	S	S	*	.	H	α-helix	trans	-65.1	-35.2	174.1	-171.8	-92.6	0	0	0	112.8	V999 F1000 A1001 N1006	V999-F1003 WeakPolarHBondContact O-CB 3.41Å; V999-F1003 PolarHBondContact O-N 3.09Å; F1000-F1003 PolarHBondContact O-N 2.97Å; A1001-F1003 VanDerWaalsContact C-N 3.29Å; A1001-F1003 PolarHBondContact O-N 2.89Å; F1003-N1006 PolarHBondContact O-N 3.35Å
1004	V	74.1	Confident	65.7	Low	34 Å²	34	72 Å²	72	21%	0.206	40%	0.395	C	S	.	.	H	α-helix	trans	-72.2	-29.7	175.9	173.3	0	0	0	0	112.3	F1000 A1001 A1002 N1006 F1018 R1029 R1030	F1000-V1004 HydrophobicContact CD1-CG2 4.24Å; F1000-V1004 HydrophobicContact CE1-CG2 4.1Å; F1000-V1004 VanDerWaalsContact O-CG2 3.27Å; F1000-V1004 WeakPolarHBondContact O-CG2 3.05Å; F1000-V1004 PolarHBondContact O-N 2.74Å; A1001-V1004 CarbonylContact O-C 3.45Å; A1001-V1004 WeakPolarHBondContact O-CA 3.31Å; A1001-V1004 PolarHBondContact O-N 3.24Å; A1002-V1004 VanDerWaalsContact C-N 3.34Å; A1002-V1004 PolarHBondContact O-N 2.98Å; V1004-N1006 VanDerWaalsContact C-N 3.33Å; V1004-F1018 HydrophobicContact CB-CE2 4Å; V1004-F1018 HydrophobicContact CB-CZ 3.91Å; V1004-F1018 HydrophobicContact CG1-CE2 3.78Å; V1004-F1018 HydrophobicContact CG1-CZ 3.8Å; V1004-F1018 HydrophobicContact CG2-CZ 4.3Å; V1004-R1029 VanDerWaalsContact CG1-O 3.23Å; V1004-R1029 WeakPolarHBondContact CG1-O 3.47Å; V1004-R1030 HydrophobicContact CG1-CG 3.44Å; V1004-R1030 VanDerWaalsContact CG1-CG 3.44Å
1005	C	73.2	Confident	66.3	Low	13 Å²	13	74.8 Å²	74.8	9%	0.088	41%	0.41	C	S	.	.	H	α-helix	trans	-80.2	-8.5	176.3	-59.4	0	0	0	0	114.4	A1001 A1002 D1007 A1010 C1020	A1001-C1005 PolarHBondContact O-N 3.24Å; A1001-C1005 PolarHBondContact O-SG 3.39Å; A1002-C1005 PolarHBondContact O-N 3.04Å; C1005-D1007 PolarHBondContact O-N 3.22Å; C1005-A1010 HydrophobicContact CB-CB 4.41Å; C1005-C1020 WeakPolarHBondContact CA-SG 3.28Å; C1005-C1020 HydrophobicContact CB-CB 3.66Å; C1005-C1020 WeakPolarHBondContact CB-SG 3.34Å; C1005-C1020 VanDerWaalsContact SG-CA 3.58Å; C1005-C1020 WeakPolarHBondContact SG-CB 3.11Å; C1005-C1020 CovalentContact SG-SG 2.04Å; C1005-C1020 PolarHBondContact SG-SG 2.89Å
1006	N	68.9	Low	66.8	Low	151 Å²	151	76.7 Å²	76.7	81%	0.807	42%	0.421	S	S	*	.	S	Bend	trans	60.9	-31	-167.4	-58.6	-71.7	0	0	0	115.7	A1002 F1003 V1004	A1002-N1006 PolarHBondContact O-N 3.38Å; F1003-N1006 PolarHBondContact O-N 3.35Å; V1004-N1006 VanDerWaalsContact C-N 3.33Å
1007	D	64.8	Low	67.5	Low	74 Å²	74	76.2 Å²	76.2	40%	0.396	42%	0.421	S	S	.	.	S	Bend	trans	-112.6	124.7	173.2	-170.6	-38.6	0	0	0	109.6	C1005 T1009 A1010	C1005-D1007 PolarHBondContact O-N 3.22Å; D1007-T1009 VanDerWaalsContact C-N 3.26Å; D1007-T1009 PolarHBondContact O-N 2.03Å; D1007-T1009 WeakPolarHBondContact OD1-CA 3.49Å; D1007-T1009 WeakPolarHBondContact OD1-CB 3.25Å; D1007-T1009 PolarHBondContact OD1-N 2.03Å; D1007-T1009 PolarHBondContact OD1-OG1 2.85Å; D1007-A1010 HydrophobicContact CB-CB 3.92Å; D1007-A1010 PolarHBondContact O-N 3.35Å
1008	P	61.1	Low	67.9	Low	96 Å²	96	76.7 Å²	76.7	62%	0.623	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-67.7	-23.9	178.6	29	-35.8	0	0	0	113.6	A1002 A1010	A1002-P1008 HydrophobicContact CB-CB 4.01Å; P1008-A1010 VanDerWaalsContact C-N 3.33Å
1009	T	67.4	Low	68.4	Low	117 Å²	117	76.3 Å²	76.3	72%	0.718	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-78	-20.6	176.7	71.1	0	0	0	0	112.5	D1007 C1011	D1007-T1009 VanDerWaalsContact C-N 3.26Å; D1007-T1009 PolarHBondContact O-N 2.03Å; D1007-T1009 WeakPolarHBondContact OD1-CA 3.49Å; D1007-T1009 WeakPolarHBondContact OD1-CB 3.25Å; D1007-T1009 PolarHBondContact OD1-N 2.03Å; D1007-T1009 PolarHBondContact OD1-OG1 2.85Å; T1009-C1011 VanDerWaalsContact C-N 3.29Å; T1009-C1011 PolarHBondContact O-N 2.8Å
1010	A	71.3	Confident	69.2	Low	12 Å²	12	70 Å²	70	10%	0.099	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-79.4	-3.2	179.4	0	0	0	0	0	114.1	C1005 D1007 P1008 C1020 T1021	C1005-A1010 HydrophobicContact CB-CB 4.41Å; D1007-A1010 HydrophobicContact CB-CB 3.92Å; D1007-A1010 PolarHBondContact O-N 3.35Å; P1008-A1010 VanDerWaalsContact C-N 3.33Å; A1010-C1020 CarbonylContact O-C 3.12Å; A1010-C1020 VanDerWaalsContact O-CA 3.27Å; A1010-C1020 WeakPolarHBondContact O-CA 3.31Å; A1010-T1021 WeakPolarHBondContact CA-OG1 3.24Å; A1010-T1021 PolarHBondContact O-N 3.21Å; A1010-T1021 PolarHBondContact O-OG1 3.47Å; A1010-T1021 VanDerWaalsContact O-OG1 3.04Å
1011	C	76.1	Confident	69.5	Low	19 Å²	19	65.7 Å²	65.7	13%	0.128	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.7	-179.2	-170.3	0	0	0	0	111.9	C997 T1009	C997-C1011 WeakPolarHBondContact CA-SG 2.85Å; C997-C1011 HydrophobicContact CB-CB 3.89Å; C997-C1011 WeakPolarHBondContact CB-SG 3.43Å; C997-C1011 WeakPolarHBondContact SG-CB 3.36Å; C997-C1011 PolarHBondContact SG-O 3.48Å; C997-C1011 VanDerWaalsContact SG-O 3.35Å; C997-C1011 CovalentContact SG-SG 2.05Å; C997-C1011 PolarHBondContact SG-SG 2.76Å; T1009-C1011 VanDerWaalsContact C-N 3.29Å; T1009-C1011 PolarHBondContact O-N 2.8Å
1012	V	74.1	Confident	69.9	Low	53 Å²	53	66.3 Å²	66.3	32%	0.321	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.7	169.6	-66.4	0	0	0	0	112.2	C997 L1019 T1021	C997-V1012 PolarHBondContact SG-N 3.34Å; V1012-L1019 HydrophobicContact CG2-CB 3.85Å; V1012-L1019 WeakPolarHBondContact CG2-O 2.99Å; V1012-L1019 PolarHBondContact N-O 3.29Å; V1012-L1019 PolarHBondContact O-N 2.87Å; V1012-T1021 HydrophobicContact CG1-CG2 3.8Å; V1012-T1021 HydrophobicContact CG2-CG2 3.99Å
1013	P	68.8	Low	70	Confident	53 Å²	53	73.6 Å²	73.6	34%	0.344	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	143.2	168.6	29.6	-36.9	0	0	0	110.9	N994 E996	N994-P1013 HydrophobicContact CB-CB 4.03Å; N994-P1013 HydrophobicContact CB-CG 4.26Å; E996-P1013 VanDerWaalsContact OE2-C 3.28Å; E996-P1013 WeakPolarHBondContact OE2-CA 3.16Å; E996-P1013 WeakPolarHBondContact OE2-CB 3.1Å
1014	F	71	Confident	69.7	Low	115 Å²	115	67.1 Å²	67.1	50%	0.504	37%	0.365	S	S	.	.			trans	-156.7	94	170.1	-167.4	-98	0	0	0	111.7	E996 T1017 L1019	E996-F1014 PolarHBondContact OE2-N 3.14Å; F1014-T1017 CarbonylContact C-O 3.52Å; F1014-T1017 WeakPolarHBondContact CA-O 3.34Å; F1014-T1017 PolarHBondContact N-O 3.46Å; F1014-T1017 CarbonylContact O-C 3.27Å; F1014-T1017 WeakPolarHBondContact O-CA 3.02Å; F1014-T1017 WeakPolarHBondContact O-CB 3.36Å; F1014-T1017 PolarHBondContact O-N 2.87Å; F1014-T1017 VanDerWaalsContact O-N 3.08Å; F1014-T1017 PolarHBondContact O-OG1 2.85Å; F1014-L1019 HydrophobicContact CB-CB 4.26Å; F1014-L1019 HydrophobicContact CB-CD1 4.05Å; F1014-L1019 HydrophobicContact CB-CD2 4.29Å; F1014-L1019 HydrophobicContact CB-CG 4.42Å; F1014-L1019 HydrophobicContact CD1-CD1 4.03Å; F1014-L1019 HydrophobicContact CD1-CD2 4.36Å; F1014-L1019 HydrophobicContact CD2-CD2 4.3Å; F1014-L1019 HydrophobicContact CG-CD1 4.17Å; F1014-L1019 HydrophobicContact CG-CD2 4.05Å
1015	N	61.9	Low	68.9	Low	132 Å²	132	69.1 Å²	69.1	71%	0.706	39%	0.393	S	S	*	.	S	Bend	trans	63.6	57.1	156.5	-153.8	0.5	0	0	0	113.9	T1017	N1015-T1017 PolarHBondContact O-N 3.18Å
1016	N	63.6	Low	68.4	Low	147 Å²	147	70.9 Å²	70.9	79%	0.786	40%	0.401	S	S	*	.	S	Bend	trans	65.2	16	-169.1	-68.2	-71.9	0	0	0	114.7	E996	E996-N1016 WeakPolarHBondContact OE1-CA 3.46Å; E996-N1016 PolarHBondContact OE1-N 2.85Å
1017	T	70	Confident	68.2	Low	39 Å²	39	65.9 Å²	65.9	24%	0.239	38%	0.381	C	S	.	.	S	Bend	trans	-148.5	168	-175.4	86.1	0	0	0	0	110	E996 F1014 N1015 R1029	E996-T1017 WeakPolarHBondContact CB-O 3.09Å; F1014-T1017 CarbonylContact C-O 3.52Å; F1014-T1017 WeakPolarHBondContact CA-O 3.34Å; F1014-T1017 PolarHBondContact N-O 3.46Å; F1014-T1017 CarbonylContact O-C 3.27Å; F1014-T1017 WeakPolarHBondContact O-CA 3.02Å; F1014-T1017 WeakPolarHBondContact O-CB 3.36Å; F1014-T1017 PolarHBondContact O-N 2.87Å; F1014-T1017 VanDerWaalsContact O-N 3.08Å; F1014-T1017 PolarHBondContact O-OG1 2.85Å; N1015-T1017 PolarHBondContact O-N 3.18Å; T1017-R1029 PolarHBondContact OG1-NH2 3.24Å; T1017-R1029 VanDerWaalsContact OG1-NH2 3.09Å
1018	F	73.5	Confident	68.5	Low	37 Å²	37	65 Å²	65	16%	0.162	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.2	175.7	65.8	-86.1	0	0	0	111.7	A1001 V1004 R1029	A1001-F1018 HydrophobicContact CB-CB 3.98Å; A1001-F1018 HydrophobicContact CB-CD1 3.47Å; A1001-F1018 VanDerWaalsContact CB-CD1 3.47Å; A1001-F1018 HydrophobicContact CB-CD2 3.79Å; A1001-F1018 HydrophobicContact CB-CE1 3.8Å; A1001-F1018 HydrophobicContact CB-CE2 4.1Å; A1001-F1018 HydrophobicContact CB-CG 3.46Å; A1001-F1018 VanDerWaalsContact CB-CG 3.46Å; A1001-F1018 HydrophobicContact CB-CZ 4.11Å; V1004-F1018 HydrophobicContact CB-CE2 4Å; V1004-F1018 HydrophobicContact CB-CZ 3.91Å; V1004-F1018 HydrophobicContact CG1-CE2 3.78Å; V1004-F1018 HydrophobicContact CG1-CZ 3.8Å; V1004-F1018 HydrophobicContact CG2-CZ 4.3Å; F1018-R1029 WeakPolarHBondContact CE2-O 3.34Å; F1018-R1029 WeakPolarHBondContact O-CG 3.19Å
1019	L	75.3	Confident	69	Low	34 Å²	34	66.5 Å²	66.5	18%	0.178	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.2	164.2	-108.4	56.4	0	0	0	108	V1012 F1014 A1027 R1029	V1012-L1019 HydrophobicContact CG2-CB 3.85Å; V1012-L1019 WeakPolarHBondContact CG2-O 2.99Å; V1012-L1019 PolarHBondContact N-O 3.29Å; V1012-L1019 PolarHBondContact O-N 2.87Å; F1014-L1019 HydrophobicContact CB-CB 4.26Å; F1014-L1019 HydrophobicContact CB-CD1 4.05Å; F1014-L1019 HydrophobicContact CB-CD2 4.29Å; F1014-L1019 HydrophobicContact CB-CG 4.42Å; F1014-L1019 HydrophobicContact CD1-CD1 4.03Å; F1014-L1019 HydrophobicContact CD1-CD2 4.36Å; F1014-L1019 HydrophobicContact CD2-CD2 4.3Å; F1014-L1019 HydrophobicContact CG-CD1 4.17Å; F1014-L1019 HydrophobicContact CG-CD2 4.05Å; L1019-A1027 HydrophobicContact CB-CB 4.17Å; L1019-A1027 HydrophobicContact CD2-CB 3.74Å; L1019-A1027 HydrophobicContact CG-CB 4.13Å; L1019-R1029 HydrophobicContact CD1-CG 4.34Å
1020	C	77.6	Confident	69.1	Low	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.2	169.6	-51.1	0	0	0	0	108.2	C1005 A1010 C1022 A1027 D1028	C1005-C1020 WeakPolarHBondContact CA-SG 3.28Å; C1005-C1020 HydrophobicContact CB-CB 3.66Å; C1005-C1020 WeakPolarHBondContact CB-SG 3.34Å; C1005-C1020 VanDerWaalsContact SG-CA 3.58Å; C1005-C1020 WeakPolarHBondContact SG-CB 3.11Å; C1005-C1020 CovalentContact SG-SG 2.04Å; C1005-C1020 PolarHBondContact SG-SG 2.89Å; A1010-C1020 CarbonylContact O-C 3.12Å; A1010-C1020 VanDerWaalsContact O-CA 3.27Å; A1010-C1020 WeakPolarHBondContact O-CA 3.31Å; C1020-C1022 PolarHBondContact O-N 3.16Å; C1020-C1022 VanDerWaalsContact O-N 3.12Å; C1020-C1022 PolarHBondContact O-SG 3.21Å; C1020-A1027 CarbonylContact O-C 3.6Å; C1020-A1027 VanDerWaalsContact O-CA 3.27Å; C1020-A1027 WeakPolarHBondContact O-CA 3.02Å; C1020-D1028 WeakPolarHBondContact CA-O 3.46Å; C1020-D1028 WeakPolarHBondContact CB-O 3.29Å; C1020-D1028 PolarHBondContact N-O 3.33Å; C1020-D1028 PolarHBondContact O-N 3.02Å
1021	T	71.5	Confident	68.9	Low	64 Å²	64	70.7 Å²	70.7	39%	0.393	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	105.6	169.5	51.6	0	0	0	0	108.5	A1010 V1012	A1010-T1021 WeakPolarHBondContact CA-OG1 3.24Å; A1010-T1021 PolarHBondContact O-N 3.21Å; A1010-T1021 PolarHBondContact O-OG1 3.47Å; A1010-T1021 VanDerWaalsContact O-OG1 3.04Å; V1012-T1021 HydrophobicContact CG1-CG2 3.8Å; V1012-T1021 HydrophobicContact CG2-CG2 3.99Å
1022	C	72.2	Confident	68.3	Low	12 Å²	12	79.3 Å²	79.3	8%	0.081	41%	0.406	C	S	.	.			trans	-75.9	151.7	176.8	-47.9	0	0	0	0	109	C1020 Y1024 G1025 L1026 C1031	C1020-C1022 PolarHBondContact O-N 3.16Å; C1020-C1022 VanDerWaalsContact O-N 3.12Å; C1020-C1022 PolarHBondContact O-SG 3.21Å; C1022-Y1024 PolarHBondContact O-N 2.74Å; C1022-G1025 PolarHBondContact O-N 3.16Å; C1022-G1025 VanDerWaalsContact O-N 3.09Å; C1022-L1026 WeakPolarHBondContact CA-O 3.44Å; C1022-L1026 WeakPolarHBondContact CB-O 3.05Å; C1022-L1026 PolarHBondContact N-O 2.81Å; C1022-L1026 PolarHBondContact SG-O 2.72Å; C1022-L1026 VanDerWaalsContact SG-O 3.38Å; C1022-C1031 WeakPolarHBondContact CA-SG 3.02Å; C1022-C1031 HydrophobicContact CB-CB 3.96Å; C1022-C1031 WeakPolarHBondContact CB-SG 3.37Å; C1022-C1031 WeakPolarHBondContact SG-CA 3.43Å; C1022-C1031 WeakPolarHBondContact SG-CB 3.21Å; C1022-C1031 CovalentContact SG-SG 2.04Å; C1022-C1031 PolarHBondContact SG-SG 3.36Å
1023	K	64.7	Low	67.4	Low	176 Å²	176	87.2 Å²	87.2	77%	0.765	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-17.7	-177.2	-169.7	-177.4	171.8	-156.2	0	115.6
1024	Y	63.5	Low	66.7	Low	31 Å²	31	86 Å²	86	12%	0.122	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	39.7	-175.3	-51.7	-49.8	0	0	0	112.1	C1022 L1026 P1036 S1039 D1054 Y1055	C1022-Y1024 PolarHBondContact O-N 2.74Å; Y1024-L1026 PolarHBondContact O-N 3.2Å; Y1024-P1036 HydrophobicContact CD2-CB 3.59Å; Y1024-P1036 HydrophobicContact CD2-CG 4.17Å; Y1024-P1036 HydrophobicContact CE2-CB 3.93Å; Y1024-P1036 HydrophobicContact CE2-CG 4.3Å; Y1024-P1036 HydrophobicContact CG-CB 4.32Å; Y1024-S1039 WeakPolarHBondContact O-CB 3.36Å; Y1024-S1039 PolarHBondContact O-OG 2.76Å; Y1024-D1054 PolarHBondContact OH-OD1 3.27Å; Y1024-Y1055 HydrophobicContact CD1-CE1 4.14Å; Y1024-Y1055 HydrophobicContact CE1-CD1 4.18Å; Y1024-Y1055 AromaticContact CE1-CE1 3.52Å; Y1024-Y1055 HydrophobicContact CE1-CE1 3.52Å; Y1024-Y1055 HydrophobicContact CE2-CD1 4.21Å; Y1024-Y1055 HydrophobicContact CE2-CE1 4.34Å; Y1024-Y1055 AromaticContact CZ-CD1 3.9Å; Y1024-Y1055 AromaticContact CZ-CE1 3.61Å
1025	G	56.3	Low	66.4	Low	76 Å²	76	83.2 Å²	83.2	78%	0.784	42%	0.416	S	S	*	.	S	Bend	trans	71.8	-23.2	171.1	0	0	0	0	0	116.6	C1022	C1022-G1025 PolarHBondContact O-N 3.16Å; C1022-G1025 VanDerWaalsContact O-N 3.09Å
1026	L	63	Low	66.7	Low	50 Å²	50	77 Å²	77	26%	0.262	38%	0.383	S	S	.	.			trans	-65.3	137.1	170.4	-68.8	169.4	0	0	0	110.6	C1022 Y1024 V1038	C1022-L1026 WeakPolarHBondContact CA-O 3.44Å; C1022-L1026 WeakPolarHBondContact CB-O 3.05Å; C1022-L1026 PolarHBondContact N-O 2.81Å; C1022-L1026 PolarHBondContact SG-O 2.72Å; C1022-L1026 VanDerWaalsContact SG-O 3.38Å; Y1024-L1026 PolarHBondContact O-N 3.2Å; L1026-V1038 HydrophobicContact CD1-CB 4.29Å; L1026-V1038 HydrophobicContact CD2-CG1 4Å
1027	A	65.1	Low	67.4	Low	47 Å²	47	71.4 Å²	71.4	39%	0.388	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.3	173.1	0	0	0	0	0	110.5	L1019 C1020	L1019-A1027 HydrophobicContact CB-CB 4.17Å; L1019-A1027 HydrophobicContact CD2-CB 3.74Å; L1019-A1027 HydrophobicContact CG-CB 4.13Å; C1020-A1027 CarbonylContact O-C 3.6Å; C1020-A1027 VanDerWaalsContact O-CA 3.27Å; C1020-A1027 WeakPolarHBondContact O-CA 3.02Å
1028	D	70.1	Confident	67.8	Low	54 Å²	54	74.3 Å²	74.3	29%	0.289	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.5	-176.1	169.9	40.8	0	0	0	110	C1020 R1030 C1031 Y1032	C1020-D1028 WeakPolarHBondContact CA-O 3.46Å; C1020-D1028 WeakPolarHBondContact CB-O 3.29Å; C1020-D1028 PolarHBondContact N-O 3.33Å; C1020-D1028 PolarHBondContact O-N 3.02Å; D1028-R1030 PolarHBondContact O-N 3.35Å; D1028-R1030 VanDerWaalsContact O-N 3.12Å; D1028-R1030 PolarHBondContact OD2-N 3.05Å; D1028-C1031 VanDerWaalsContact OD2-CA 3.28Å; D1028-C1031 WeakPolarHBondContact OD2-CA 3.49Å; D1028-C1031 PolarHBondContact OD2-N 3.34Å; D1028-Y1032 PolarHBondContact OD2-N 2.8Å
1029	R	72.6	Confident	67.7	Low	128 Å²	128	75.1 Å²	75.1	48%	0.483	38%	0.382	S	S	.	.	S	Bend	trans	-63.9	-16.2	-178.9	-84.6	-172.7	177.2	-170.1	9	115.6	V1004 T1017 F1018 L1019	V1004-R1029 VanDerWaalsContact CG1-O 3.23Å; V1004-R1029 WeakPolarHBondContact CG1-O 3.47Å; T1017-R1029 PolarHBondContact OG1-NH2 3.24Å; T1017-R1029 VanDerWaalsContact OG1-NH2 3.09Å; F1018-R1029 WeakPolarHBondContact CE2-O 3.34Å; F1018-R1029 WeakPolarHBondContact O-CG 3.19Å; L1019-R1029 HydrophobicContact CD1-CG 4.34Å
1030	R	69.2	Low	67.7	Low	175 Å²	175	76.4 Å²	76.4	66%	0.66	39%	0.389	S	S	*	.	S	Bend	trans	-145.6	3.7	-179	-95.8	-175.4	-72.6	-164	-1.6	114.4	V1004 D1028 Y1032	V1004-R1030 HydrophobicContact CG1-CG 3.44Å; V1004-R1030 VanDerWaalsContact CG1-CG 3.44Å; D1028-R1030 PolarHBondContact O-N 3.35Å; D1028-R1030 VanDerWaalsContact O-N 3.12Å; D1028-R1030 PolarHBondContact OD2-N 3.05Å; R1030-Y1032 PolarHBondContact O-N 3.21Å
1031	C	67.3	Low	67.7	Low	42 Å²	42	77 Å²	77	28%	0.284	39%	0.394	S	S	.	.	S	Bend	trans	44.5	33.1	-164.5	-60.8	0	0	0	0	113.4	C1022 D1028	C1022-C1031 WeakPolarHBondContact CA-SG 3.02Å; C1022-C1031 HydrophobicContact CB-CB 3.96Å; C1022-C1031 WeakPolarHBondContact CB-SG 3.37Å; C1022-C1031 WeakPolarHBondContact SG-CA 3.43Å; C1022-C1031 WeakPolarHBondContact SG-CB 3.21Å; C1022-C1031 CovalentContact SG-SG 2.04Å; C1022-C1031 PolarHBondContact SG-SG 3.36Å; D1028-C1031 VanDerWaalsContact OD2-CA 3.28Å; D1028-C1031 WeakPolarHBondContact OD2-CA 3.49Å; D1028-C1031 PolarHBondContact OD2-N 3.34Å
1032	Y	62.1	Low	68.2	Low	200 Å²	200	74 Å²	74	78%	0.784	38%	0.375	S	S	*	.	S	Bend	trans	-90.4	-10.8	-172.7	-155.6	-92.2	0	0	0	112.1	D1028 R1030	D1028-Y1032 PolarHBondContact OD2-N 2.8Å; R1030-Y1032 PolarHBondContact O-N 3.21Å
1033	R	55.9	Low	68.2	Low	219 Å²	219	74.2 Å²	74.2	83%	0.826	38%	0.379	S	S	*	.	S	Bend	trans	-137.1	31.4	177.3	-145.1	-178.9	-165.9	-169.6	2.8	113.4	T1035	R1033-T1035 VanDerWaalsContact C-N 3.3Å; R1033-T1035 PolarHBondContact O-N 2.86Å
1034	S	54	Low	68.7	Low	27 Å²	27	73.2 Å²	73.2	19%	0.189	38%	0.382	C	S	.	.			trans	-67.7	93.6	161.2	56.7	0	0	0	0	108.5	P1036	S1034-P1036 WeakPolarHBondContact O-CD 3.43Å; S1034-P1036 WeakPolarHBondContact O-CG 3.28Å
1035	T	64.2	Low	69.1	Low	58 Å²	58	75.2 Å²	75.2	36%	0.356	41%	0.412	S	S	.	.			trans	-65.7	97.6	155.9	42.6	0	0	0	0	106.2	R1033 C1037 V1038 D1050	R1033-T1035 VanDerWaalsContact C-N 3.3Å; R1033-T1035 PolarHBondContact O-N 2.86Å; T1035-C1037 PolarHBondContact O-N 2.84Å; T1035-V1038 PolarHBondContact O-N 3.47Å; T1035-V1038 WeakPolarHBondContact OG1-CG2 3.29Å; T1035-D1050 VanDerWaalsContact CB-OD2 3.27Å; T1035-D1050 WeakPolarHBondContact CB-OD2 3.31Å; T1035-D1050 WeakPolarHBondContact CG2-OD2 3.31Å
1036	P	68.6	Low	70.2	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.013	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-64.8	-20.9	-160.2	-26.2	40.2	0	0	0	112.9	Y1024 S1034 V1038 S1039 P1041 D1050 Y1055	Y1024-P1036 HydrophobicContact CD2-CB 3.59Å; Y1024-P1036 HydrophobicContact CD2-CG 4.17Å; Y1024-P1036 HydrophobicContact CE2-CB 3.93Å; Y1024-P1036 HydrophobicContact CE2-CG 4.3Å; Y1024-P1036 HydrophobicContact CG-CB 4.32Å; S1034-P1036 WeakPolarHBondContact O-CD 3.43Å; S1034-P1036 WeakPolarHBondContact O-CG 3.28Å; P1036-V1038 VanDerWaalsContact C-N 3.29Å; P1036-V1038 PolarHBondContact O-N 2.84Å; P1036-S1039 PolarHBondContact O-OG 2.81Å; P1036-P1041 WeakPolarHBondContact O-CD 3Å; P1036-P1041 WeakPolarHBondContact O-CG 3.33Å; P1036-D1050 WeakPolarHBondContact CD-OD1 3.33Å; P1036-Y1055 HydrophobicContact CB-CD1 4.14Å; P1036-Y1055 HydrophobicContact CB-CG 4.48Å
1037	C	79.6	Confident	71.3	Confident	28 Å²	28	74.4 Å²	74.4	19%	0.189	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-68.8	-15.4	176	-66.4	0	0	0	0	116.2	T1035 S1039 N1040 C1048 V1049 D1050	T1035-C1037 PolarHBondContact O-N 2.84Å; C1037-S1039 PolarHBondContact O-N 2.04Å; C1037-N1040 PolarHBondContact O-N 2.91Å; C1037-N1040 VanDerWaalsContact O-N 3.1Å; C1037-C1048 WeakPolarHBondContact CA-SG 3.3Å; C1037-C1048 HydrophobicContact CB-CB 3.54Å; C1037-C1048 WeakPolarHBondContact CB-SG 3.16Å; C1037-C1048 WeakPolarHBondContact SG-CB 3.41Å; C1037-C1048 CovalentContact SG-SG 2.03Å; C1037-C1048 PolarHBondContact SG-SG 2.94Å; C1037-V1049 PolarHBondContact SG-N 3.23Å; C1037-D1050 WeakPolarHBondContact CB-OD1 3.13Å; C1037-D1050 PolarHBondContact N-OD1 2.78Å; C1037-D1050 PolarHBondContact SG-OD1 3.36Å
1038	V	76.8	Confident	72.3	Confident	101 Å²	101	73.6 Å²	73.6	61%	0.612	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-67.5	-20.3	-178.1	167.6	0	0	0	0	113.1	L1026 T1035 P1036 N1040	L1026-V1038 HydrophobicContact CD1-CB 4.29Å; L1026-V1038 HydrophobicContact CD2-CG1 4Å; T1035-V1038 PolarHBondContact O-N 3.47Å; T1035-V1038 WeakPolarHBondContact OG1-CG2 3.29Å; P1036-V1038 VanDerWaalsContact C-N 3.29Å; P1036-V1038 PolarHBondContact O-N 2.84Å; V1038-N1040 VanDerWaalsContact C-N 3.3Å; V1038-N1040 PolarHBondContact O-N 3.42Å
1039	S	71.5	Confident	73	Confident	53 Å²	53	73.9 Å²	73.9	37%	0.371	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-89.6	13.8	174.1	67.8	0	0	0	0	114.2	Y1024 P1036 C1037	Y1024-S1039 WeakPolarHBondContact O-CB 3.36Å; Y1024-S1039 PolarHBondContact O-OG 2.76Å; P1036-S1039 PolarHBondContact O-OG 2.81Å; C1037-S1039 PolarHBondContact O-N 2.04Å
1040	N	75.2	Confident	73.4	Confident	61 Å²	61	71.5 Å²	71.5	33%	0.326	39%	0.387	S	S	.	.			trans	34.9	59.3	-165	-167.1	16.9	0	0	0	113.9	C1037 V1038 C1042 G1043 D1044	C1037-N1040 PolarHBondContact O-N 2.91Å; C1037-N1040 VanDerWaalsContact O-N 3.1Å; V1038-N1040 VanDerWaalsContact C-N 3.3Å; V1038-N1040 PolarHBondContact O-N 3.42Å; N1040-C1042 PolarHBondContact O-N 3.31Å; N1040-C1042 VanDerWaalsContact O-N 3.09Å; N1040-G1043 PolarHBondContact ND2-O 3.28Å; N1040-G1043 PolarHBondContact O-N 2.91Å; N1040-G1043 PolarHBondContact OD1-O 3.23Å; N1040-D1044 PolarHBondContact ND2-OD1 3.47Å
1041	P	77.8	Confident	73.6	Confident	14 Å²	14	65.9 Å²	65.9	9%	0.091	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.4	-176.5	30.9	-37.4	0	0	0	112.4	P1036 G1043 Y1055 R1068	P1036-P1041 WeakPolarHBondContact O-CD 3Å; P1036-P1041 WeakPolarHBondContact O-CG 3.33Å; P1041-G1043 VanDerWaalsContact C-N 3.35Å; P1041-G1043 PolarHBondContact O-N 3.13Å; P1041-Y1055 HydrophobicContact CB-CD1 4.49Å; P1041-Y1055 HydrophobicContact CB-CD2 4.06Å; P1041-Y1055 HydrophobicContact CB-CE1 4.17Å; P1041-Y1055 HydrophobicContact CB-CE2 3.67Å; P1041-Y1055 HydrophobicContact CB-CG 4.46Å; P1041-Y1055 HydrophobicContact CG-CD1 4.22Å; P1041-Y1055 HydrophobicContact CG-CD2 3.6Å; P1041-Y1055 HydrophobicContact CG-CE1 4.4Å; P1041-Y1055 HydrophobicContact CG-CE2 3.77Å; P1041-Y1055 HydrophobicContact CG-CG 3.85Å; P1041-R1068 WeakPolarHBondContact O-CA 3.35Å; P1041-R1068 WeakPolarHBondContact O-CB 3.48Å
1042	C	81.7	Confident	73.8	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.3	-177.4	-63.1	0	0	0	0	115.2	N1040 A1046 C1048 C1057 R1068 C1069	N1040-C1042 PolarHBondContact O-N 3.31Å; N1040-C1042 VanDerWaalsContact O-N 3.09Å; C1042-A1046 HydrophobicContact CB-CB 3.71Å; C1042-C1048 HydrophobicContact CB-CB 4.21Å; C1042-C1048 VanDerWaalsContact SG-CA 3.57Å; C1042-C1048 WeakPolarHBondContact SG-CB 3.27Å; C1042-C1048 PolarHBondContact SG-SG 2.78Å; C1042-C1057 WeakPolarHBondContact CA-SG 3.34Å; C1042-C1057 HydrophobicContact CB-CB 3.69Å; C1042-C1057 WeakPolarHBondContact CB-SG 3.44Å; C1042-C1057 WeakPolarHBondContact SG-CA 3.49Å; C1042-C1057 WeakPolarHBondContact SG-CB 3.02Å; C1042-C1057 CovalentContact SG-SG 2.03Å; C1042-C1057 PolarHBondContact SG-SG 3.1Å; C1042-R1068 WeakPolarHBondContact O-CG 3.47Å; C1042-C1069 PolarHBondContact O-N 3.32Å
1043	G	73.9	Confident	73.9	Confident	16 Å²	16	68.9 Å²	68.9	17%	0.165	40%	0.403	C	S	.	.			trans	79.8	169.4	-170.7	0	0	0	0	0	112.3	N1040 P1041	N1040-G1043 PolarHBondContact ND2-O 3.28Å; N1040-G1043 PolarHBondContact O-N 2.91Å; N1040-G1043 PolarHBondContact OD1-O 3.23Å; P1041-G1043 VanDerWaalsContact C-N 3.35Å; P1041-G1043 PolarHBondContact O-N 3.13Å
1044	D	74.3	Confident	74.6	Confident	156 Å²	156	60 Å²	60	83%	0.834	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	148.8	177	-61.6	-40.6	0	0	0	110.9	N1040 A1046	N1040-D1044 PolarHBondContact ND2-OD1 3.47Å; D1044-A1046 VanDerWaalsContact C-N 3.29Å; D1044-A1046 PolarHBondContact O-N 2.94Å
1045	G	71.9	Confident	75.9	Confident	73 Å²	73	59.9 Å²	59.9	75%	0.753	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-5.5	-173	0	0	0	0	0	115.5
1046	A	80.1	Confident	76.8	Confident	15 Å²	15	57.7 Å²	57.7	12%	0.124	36%	0.355	C	S	.	.			trans	-115.4	144.8	179.1	0	0	0	0	0	113.1	C1042 D1044 C1069	C1042-A1046 HydrophobicContact CB-CB 3.71Å; D1044-A1046 VanDerWaalsContact C-N 3.29Å; D1044-A1046 PolarHBondContact O-N 2.94Å; A1046-C1069 HydrophobicContact CB-CB 3.69Å; A1046-C1069 WeakPolarHBondContact CB-SG 3.47Å
1047	T	85.5	Confident	77.7	Confident	93 Å²	93	57.6 Å²	57.6	57%	0.571	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.7	176.8	-59	0	0	0	0	110.5	H1058	T1047-H1058 PolarHBondContact N-O 3.45Å; T1047-H1058 PolarHBondContact O-N 2.92Å
1048	C	85.3	Confident	78.1	Confident	30 Å²	30	60.3 Å²	60.3	20%	0.203	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138	176.3	-167.4	0	0	0	0	112.2	C1037 C1042	C1037-C1048 WeakPolarHBondContact CA-SG 3.3Å; C1037-C1048 HydrophobicContact CB-CB 3.54Å; C1037-C1048 WeakPolarHBondContact CB-SG 3.16Å; C1037-C1048 WeakPolarHBondContact SG-CB 3.41Å; C1037-C1048 CovalentContact SG-SG 2.03Å; C1037-C1048 PolarHBondContact SG-SG 2.94Å; C1042-C1048 HydrophobicContact CB-CB 4.21Å; C1042-C1048 VanDerWaalsContact SG-CA 3.57Å; C1042-C1048 WeakPolarHBondContact SG-CB 3.27Å; C1042-C1048 PolarHBondContact SG-SG 2.78Å
1049	V	85.4	Confident	78.3	Confident	60 Å²	60	55.9 Å²	55.9	36%	0.364	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.4	177.5	-172.4	0	0	0	0	110.7	C1037 S1051 A1056	C1037-V1049 PolarHBondContact SG-N 3.23Å; V1049-S1051 PolarHBondContact O-N 2.03Å; V1049-S1051 VanDerWaalsContact O-N 3.16Å; V1049-S1051 PolarHBondContact O-OG 3.09Å; V1049-A1056 PolarHBondContact N-O 3.29Å; V1049-A1056 PolarHBondContact O-N 3.47Å
1050	D	80.7	Confident	78.5	Confident	78 Å²	78	57.8 Å²	57.8	42%	0.417	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	114.1	178.1	-79.4	-11	0	0	0	110.8	T1035 P1036 C1037	T1035-D1050 VanDerWaalsContact CB-OD2 3.27Å; T1035-D1050 WeakPolarHBondContact CB-OD2 3.31Å; T1035-D1050 WeakPolarHBondContact CG2-OD2 3.31Å; P1036-D1050 WeakPolarHBondContact CD-OD1 3.33Å; C1037-D1050 WeakPolarHBondContact CB-OD1 3.13Å; C1037-D1050 PolarHBondContact N-OD1 2.78Å; C1037-D1050 PolarHBondContact SG-OD1 3.36Å
1051	S	74	Confident	78.3	Confident	57 Å²	57	59.5 Å²	59.5	40%	0.399	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	58	-175.4	-66.3	0	0	0	0	111.1	V1049 R1053 D1054 A1056	V1049-S1051 PolarHBondContact O-N 2.03Å; V1049-S1051 VanDerWaalsContact O-N 3.16Å; V1049-S1051 PolarHBondContact O-OG 3.09Å; S1051-R1053 PolarHBondContact O-N 3.49Å; S1051-R1053 VanDerWaalsContact O-N 3.09Å; S1051-D1054 CarbonylContact C-O 3.35Å; S1051-D1054 VanDerWaalsContact CA-O 3.3Å; S1051-D1054 WeakPolarHBondContact CA-O 3.41Å; S1051-D1054 PolarHBondContact N-O 2.81Å; S1051-D1054 PolarHBondContact O-N 3.26Å; S1051-A1056 WeakPolarHBondContact OG-CB 3.27Å; S1051-A1056 PolarHBondContact OG-N 2.03Å
1052	G	70.9	Confident	78.1	Confident	76 Å²	76	62 Å²	62	78%	0.784	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-86.6	176.1	0	0	0	0	0	113.8
1053	R	65.8	Low	77.8	Confident	230 Å²	230	63.8 Å²	63.8	87%	0.868	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	10	172.2	-78.9	-165	-83.3	-156.9	-4	112.8	S1051	S1051-R1053 PolarHBondContact O-N 3.49Å; S1051-R1053 VanDerWaalsContact O-N 3.09Å
1054	D	69.3	Low	78.2	Confident	32 Å²	32	67.4 Å²	67.4	17%	0.171	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	-177.3	-177.4	-151.7	17.8	0	0	0	108.9	Y1024 S1051 R1066	Y1024-D1054 PolarHBondContact OH-OD1 3.27Å; S1051-D1054 CarbonylContact C-O 3.35Å; S1051-D1054 VanDerWaalsContact CA-O 3.3Å; S1051-D1054 WeakPolarHBondContact CA-O 3.41Å; S1051-D1054 PolarHBondContact N-O 2.81Å; S1051-D1054 PolarHBondContact O-N 3.26Å; D1054-R1066 IonicContact OD2-CZ 2.57Å; D1054-R1066 IonicContact OD2-NH1 2.6Å; D1054-R1066 PolarHBondContact OD2-NH1 2.03Å
1055	Y	81.3	Confident	78.3	Confident	24 Å²	24	63.1 Å²	63.1	9%	0.094	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	162.9	173.1	60.4	-69.4	0	0	0	111.7	Y1024 P1036 P1041 C1057 R1066	Y1024-Y1055 HydrophobicContact CD1-CE1 4.14Å; Y1024-Y1055 HydrophobicContact CE1-CD1 4.18Å; Y1024-Y1055 AromaticContact CE1-CE1 3.52Å; Y1024-Y1055 HydrophobicContact CE1-CE1 3.52Å; Y1024-Y1055 HydrophobicContact CE2-CD1 4.21Å; Y1024-Y1055 HydrophobicContact CE2-CE1 4.34Å; Y1024-Y1055 AromaticContact CZ-CD1 3.9Å; Y1024-Y1055 AromaticContact CZ-CE1 3.61Å; P1036-Y1055 HydrophobicContact CB-CD1 4.14Å; P1036-Y1055 HydrophobicContact CB-CG 4.48Å; P1041-Y1055 HydrophobicContact CB-CD1 4.49Å; P1041-Y1055 HydrophobicContact CB-CD2 4.06Å; P1041-Y1055 HydrophobicContact CB-CE1 4.17Å; P1041-Y1055 HydrophobicContact CB-CE2 3.67Å; P1041-Y1055 HydrophobicContact CB-CG 4.46Å; P1041-Y1055 HydrophobicContact CG-CD1 4.22Å; P1041-Y1055 HydrophobicContact CG-CD2 3.6Å; P1041-Y1055 HydrophobicContact CG-CE1 4.4Å; P1041-Y1055 HydrophobicContact CG-CE2 3.77Å; P1041-Y1055 HydrophobicContact CG-CG 3.85Å; Y1055-C1057 WeakPolarHBondContact CD2-SG 3.16Å; Y1055-C1057 WeakPolarHBondContact CE2-SG 3.01Å; Y1055-R1066 PolarHBondContact OH-O 3.14Å
1056	A	84.1	Confident	78.3	Confident	13 Å²	13	68 Å²	68	11%	0.107	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.1	162.5	0	0	0	0	0	109	V1049 S1051 V1064	V1049-A1056 PolarHBondContact N-O 3.29Å; V1049-A1056 PolarHBondContact O-N 3.47Å; S1051-A1056 WeakPolarHBondContact OG-CB 3.27Å; S1051-A1056 PolarHBondContact OG-N 2.03Å; A1056-V1064 HydrophobicContact CB-CG1 3.82Å
1057	C	86.2	Confident	78	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.4	175.6	-59.7	0	0	0	0	109.3	C1042 Y1055 V1064 K1065 Q1067 C1069	C1042-C1057 WeakPolarHBondContact CA-SG 3.34Å; C1042-C1057 HydrophobicContact CB-CB 3.69Å; C1042-C1057 WeakPolarHBondContact CB-SG 3.44Å; C1042-C1057 WeakPolarHBondContact SG-CA 3.49Å; C1042-C1057 WeakPolarHBondContact SG-CB 3.02Å; C1042-C1057 CovalentContact SG-SG 2.03Å; C1042-C1057 PolarHBondContact SG-SG 3.1Å; Y1055-C1057 WeakPolarHBondContact CD2-SG 3.16Å; Y1055-C1057 WeakPolarHBondContact CE2-SG 3.01Å; C1057-V1064 CarbonylContact O-C 3.44Å; C1057-V1064 WeakPolarHBondContact O-CA 3.37Å; C1057-K1065 PolarHBondContact N-O 2.78Å; C1057-K1065 PolarHBondContact O-N 3.01Å; C1057-Q1067 PolarHBondContact SG-O 3.5Å; C1057-C1069 VanDerWaalsContact CB-SG 3.51Å
1058	H	87.9	Confident	77.5	Confident	84 Å²	84	76.6 Å²	76.6	39%	0.389	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	106.9	169.6	-64.2	-158.5	0	0	0	106.7	T1047 S1063	T1047-H1058 PolarHBondContact N-O 3.45Å; T1047-H1058 PolarHBondContact O-N 2.92Å; H1058-S1063 WeakPolarHBondContact CA-O 3.43Å
1059	C	81.6	Confident	76.9	Confident	9 Å²	9	76.1 Å²	76.1	6%	0.061	42%	0.416	C	S	.	.			trans	-85.1	166.3	-174.6	-52.2	0	0	0	0	111.6	D1061 G1062 S1063 C1069	C1059-D1061 VanDerWaalsContact CB-OD1 3.23Å; C1059-D1061 WeakPolarHBondContact CB-OD1 3.43Å; C1059-D1061 PolarHBondContact O-N 2.89Å; C1059-G1062 PolarHBondContact O-N 2.94Å; C1059-S1063 PolarHBondContact N-O 3.5Å; C1059-C1069 WeakPolarHBondContact CA-SG 3.41Å; C1059-C1069 HydrophobicContact CB-CB 3.74Å; C1059-C1069 WeakPolarHBondContact CB-SG 3.45Å; C1059-C1069 WeakPolarHBondContact SG-CB 3.44Å; C1059-C1069 CovalentContact SG-SG 2.02Å; C1059-C1069 PolarHBondContact SG-SG 3.41Å
1060	A	75.1	Confident	75.9	Confident	92 Å²	92	76.9 Å²	76.9	76%	0.76	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.8	178.9	0	0	0	0	0	113.7	G1062	A1060-G1062 PolarHBondContact O-N 3.22Å
1061	D	72	Confident	74.8	Confident	98 Å²	98	79.1 Å²	79.1	52%	0.524	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-2.6	171.2	68.6	3.2	0	0	0	114	C1059 S1063 K1065	C1059-D1061 VanDerWaalsContact CB-OD1 3.23Å; C1059-D1061 WeakPolarHBondContact CB-OD1 3.43Å; C1059-D1061 PolarHBondContact O-N 2.89Å; D1061-S1063 VanDerWaalsContact C-N 3.3Å; D1061-S1063 PolarHBondContact O-N 2.76Å; D1061-S1063 WeakPolarHBondContact OD1-CA 3.37Å; D1061-S1063 WeakPolarHBondContact OD1-CB 3.32Å; D1061-S1063 PolarHBondContact OD1-N 2.85Å; D1061-S1063 PolarHBondContact OD1-OG 2.89Å; D1061-S1063 PolarHBondContact OD2-OG 2.9Å; D1061-S1063 VanDerWaalsContact OD2-OG 3.08Å; D1061-K1065 IonicContact OD1-NZ 3.73Å; D1061-K1065 IonicContact OD2-NZ 2.75Å; D1061-K1065 PolarHBondContact OD2-NZ 3.08Å
1062	G	73.4	Confident	73.8	Confident	66 Å²	66	80 Å²	80	68%	0.68	44%	0.436	S	S	*	.	S	Bend	trans	80.5	0.5	-176.6	0	0	0	0	0	115.1	C1059 A1060	C1059-G1062 PolarHBondContact O-N 2.94Å; A1060-G1062 PolarHBondContact O-N 3.22Å
1063	S	76.4	Confident	73	Confident	37 Å²	37	78.8 Å²	78.8	26%	0.259	41%	0.41	S	S	.	.			trans	-79.5	154.9	177.5	71.5	0	0	0	0	112.6	H1058 C1059 D1061 K1065	H1058-S1063 WeakPolarHBondContact CA-O 3.43Å; C1059-S1063 PolarHBondContact N-O 3.5Å; D1061-S1063 VanDerWaalsContact C-N 3.3Å; D1061-S1063 PolarHBondContact O-N 2.76Å; D1061-S1063 WeakPolarHBondContact OD1-CA 3.37Å; D1061-S1063 WeakPolarHBondContact OD1-CB 3.32Å; D1061-S1063 PolarHBondContact OD1-N 2.85Å; D1061-S1063 PolarHBondContact OD1-OG 2.89Å; D1061-S1063 PolarHBondContact OD2-OG 2.9Å; D1061-S1063 VanDerWaalsContact OD2-OG 3.08Å; S1063-K1065 WeakPolarHBondContact OG-CE 3.3Å; S1063-K1065 PolarHBondContact OG-NZ 2.03Å
1064	V	81.4	Confident	72.7	Confident	92 Å²	92	72.2 Å²	72.2	56%	0.558	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	104.2	177.2	-177.2	0	0	0	0	109.2	A1056 C1057	A1056-V1064 HydrophobicContact CB-CG1 3.82Å; C1057-V1064 CarbonylContact O-C 3.44Å; C1057-V1064 WeakPolarHBondContact O-CA 3.37Å
1065	K	75.3	Confident	72.3	Confident	66 Å²	66	74.5 Å²	74.5	29%	0.287	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148.8	-175.1	-58.2	-177.8	-177.6	118.9	0	110.5	C1057 D1061 S1063 Q1067	C1057-K1065 PolarHBondContact N-O 2.78Å; C1057-K1065 PolarHBondContact O-N 3.01Å; D1061-K1065 IonicContact OD1-NZ 3.73Å; D1061-K1065 IonicContact OD2-NZ 2.75Å; D1061-K1065 PolarHBondContact OD2-NZ 3.08Å; S1063-K1065 WeakPolarHBondContact OG-CE 3.3Å; S1063-K1065 PolarHBondContact OG-NZ 2.03Å; K1065-Q1067 VanDerWaalsContact C-N 3.28Å
1066	R	72.4	Confident	71.7	Confident	176 Å²	176	74.4 Å²	74.4	66%	0.664	41%	0.409	S	S	*	.	S	Bend	trans	-88.9	10.8	173.7	-79	-165.2	-174.4	-122.3	5.1	114	D1054 Y1055	D1054-R1066 IonicContact OD2-CZ 2.57Å; D1054-R1066 IonicContact OD2-NH1 2.6Å; D1054-R1066 PolarHBondContact OD2-NH1 2.03Å; Y1055-R1066 PolarHBondContact OH-O 3.14Å
1067	Q	73.1	Confident	70.7	Confident	144 Å²	144	83.6 Å²	83.6	67%	0.673	44%	0.441	S	S	*	.	S	Bend	trans	-135.6	168.5	-176.8	-69.5	176.5	-21	0	0	107.2	C1057 K1065	C1057-Q1067 PolarHBondContact SG-O 3.5Å; K1065-Q1067 VanDerWaalsContact C-N 3.28Å
1068	R	76.5	Confident	69.6	Low	144 Å²	144	90.7 Å²	90.7	54%	0.543	47%	0.474	S	S	.	.			trans	-43.7	142	169.9	-178.5	171.9	-70.8	178.8	-4.4	110.6	P1041 C1042 T1070	P1041-R1068 WeakPolarHBondContact O-CA 3.35Å; P1041-R1068 WeakPolarHBondContact O-CB 3.48Å; C1042-R1068 WeakPolarHBondContact O-CG 3.47Å; R1068-T1070 HydrophobicContact CB-CG2 3.98Å; R1068-T1070 HydrophobicContact CG-CG2 3.77Å; R1068-T1070 PolarHBondContact O-N 3.43Å
1069	C	71.3	Confident	68.4	Low	20 Å²	20	93 Å²	93	14%	0.135	49%	0.489	C	S	.	.			trans	-74.5	66.3	171	-65.5	0	0	0	0	109.4	C1042 A1046 C1057 C1059 D1071	C1042-C1069 PolarHBondContact O-N 3.32Å; A1046-C1069 HydrophobicContact CB-CB 3.69Å; A1046-C1069 WeakPolarHBondContact CB-SG 3.47Å; C1057-C1069 VanDerWaalsContact CB-SG 3.51Å; C1059-C1069 WeakPolarHBondContact CA-SG 3.41Å; C1059-C1069 HydrophobicContact CB-CB 3.74Å; C1059-C1069 WeakPolarHBondContact CB-SG 3.45Å; C1059-C1069 WeakPolarHBondContact SG-CB 3.44Å; C1059-C1069 CovalentContact SG-SG 2.02Å; C1059-C1069 PolarHBondContact SG-SG 3.41Å; C1069-D1071 PolarHBondContact O-N 2.84Å
1070	T	66	Low	68.1	Low	76 Å²	76	93.9 Å²	93.9	47%	0.466	49%	0.493	S	S	.	.			trans	-75.1	110.7	170.8	54.4	0	0	0	0	107.5	R1068 V1072	R1068-T1070 HydrophobicContact CB-CG2 3.98Å; R1068-T1070 HydrophobicContact CG-CG2 3.77Å; R1068-T1070 PolarHBondContact O-N 3.43Å; T1070-V1072 PolarHBondContact O-N 3.39Å
1071	D	56.2	Low	68	Low	126 Å²	126	90.1 Å²	90.1	67%	0.674	46%	0.461	S	S	*	.			trans	-74.8	59.6	170	-64.7	-36.6	0	0	0	109.7	C1069 H1073	C1069-D1071 PolarHBondContact O-N 2.84Å; D1071-H1073 PolarHBondContact O-N 3.33Å
1072	V	52.7	Low	68.1	Low	74 Å²	74	90.1 Å²	90.1	45%	0.448	46%	0.46	S	S	.	.			trans	-69.1	84.9	168.1	-172.8	0	0	0	0	106.7	T1070 C1076 R1077	T1070-V1072 PolarHBondContact O-N 3.39Å; V1072-C1076 HydrophobicContact CG1-CB 4.23Å; V1072-R1077 HydrophobicContact CG1-CB 3.86Å; V1072-R1077 HydrophobicContact CG1-CG 4.47Å
1073	H	55	Low	67.5	Low	52 Å²	52	90.4 Å²	90.4	24%	0.241	45%	0.45	C	S	.	.			trans	-45.8	135.8	160.2	-162.7	-112.5	0	0	0	107.5	D1071 H1075 C1076 G1090	D1071-H1073 PolarHBondContact O-N 3.33Å; H1073-H1075 AromaticContact CE1-CD2 3.48Å; H1073-H1075 PolarHBondContact CE1-CD2 3.28Å; H1073-H1075 VanDerWaalsContact CE1-CD2 3.48Å; H1073-H1075 AromaticContact CE1-NE2 3.89Å; H1073-H1075 AromaticContact ND1-CD2 3.44Å; H1073-H1075 PolarHBondContact ND1-CD2 2.98Å; H1073-H1075 PolarHBondContact O-N 3.49Å; H1073-C1076 PolarHBondContact O-N 2.78Å; H1073-G1090 PolarHBondContact CE1-O 2.02Å; H1073-G1090 PolarHBondContact ND1-O 2.88Å
1074	P	59.1	Low	66.8	Low	92 Å²	92	95.7 Å²	95.7	60%	0.597	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-56.2	-19.1	-167.5	17.7	-31.6	0	0	0	114.7	R1077	P1074-R1077 WeakPolarHBondContact O-CB 3.31Å
1075	H	61.5	Low	66.4	Low	79 Å²	79	92 Å²	92	37%	0.366	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-75.9	-29.8	172.8	-53.8	-38.8	0	0	0	114.6	H1073 R1077 I1080 Y1094	H1073-H1075 AromaticContact CE1-CD2 3.48Å; H1073-H1075 PolarHBondContact CE1-CD2 3.28Å; H1073-H1075 VanDerWaalsContact CE1-CD2 3.48Å; H1073-H1075 AromaticContact CE1-NE2 3.89Å; H1073-H1075 AromaticContact ND1-CD2 3.44Å; H1073-H1075 PolarHBondContact ND1-CD2 2.98Å; H1073-H1075 PolarHBondContact O-N 3.49Å; H1075-R1077 PolarHBondContact O-N 2.83Å; H1075-I1080 WeakPolarHBondContact O-CD1 2.98Å; H1075-Y1094 HydrophobicContact CB-CD1 4.42Å
1076	C	68.5	Low	66.5	Low	22 Å²	22	95.4 Å²	95.4	15%	0.149	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-82.7	10.7	174.5	-68.3	0	0	0	0	113.4	V1072 H1073 E1078 C1087	V1072-C1076 HydrophobicContact CG1-CB 4.23Å; H1073-C1076 PolarHBondContact O-N 2.78Å; C1076-E1078 CarbonylContact C-O 3.49Å; C1076-C1087 VanDerWaalsContact CA-SG 3.51Å; C1076-C1087 HydrophobicContact CB-CB 3.77Å; C1076-C1087 WeakPolarHBondContact CB-SG 3.03Å; C1076-C1087 WeakPolarHBondContact SG-CB 3.44Å; C1076-C1087 PolarHBondContact SG-O 2.82Å; C1076-C1087 CovalentContact SG-SG 2.04Å; C1076-C1087 PolarHBondContact SG-SG 2.96Å
1077	R	63.1	Low	66.7	Low	206 Å²	206	89 Å²	89	78%	0.777	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-85.6	-26.5	-179.4	-170.6	177.8	179.9	-169.5	-0.1	113	V1072 P1074 H1075	V1072-R1077 HydrophobicContact CG1-CB 3.86Å; V1072-R1077 HydrophobicContact CG1-CG 4.47Å; P1074-R1077 WeakPolarHBondContact O-CB 3.31Å; H1075-R1077 PolarHBondContact O-N 2.83Å
1078	E	64	Low	66.8	Low	150 Å²	150	86.2 Å²	86.2	70%	0.701	44%	0.444	S	S	*	.	S	Bend	trans	-83.1	141.4	159	-68.2	169	-162.1	0	0	106.7	C1076 I1080	C1076-E1078 CarbonylContact C-O 3.49Å; E1078-I1080 HydrophobicContact CB-CD1 4.39Å; E1078-I1080 HydrophobicContact CB-CG1 3.85Å; E1078-I1080 PolarHBondContact O-N 2.88Å
1079	N	61.7	Low	66.2	Low	131 Å²	131	81.2 Å²	81.2	70%	0.701	44%	0.437	S	S	*	.			trans	-74.9	74.9	175.3	-70	-2.3	0	0	0	108.6	C1081 L1082	N1079-C1081 VanDerWaalsContact C-N 3.35Å; N1079-L1082 HydrophobicContact CB-CD2 4.38Å; N1079-L1082 WeakPolarHBondContact O-CD1 3.02Å; N1079-L1082 WeakPolarHBondContact O-CG 3.41Å
1080	I	74.6	Confident	65.8	Low	28 Å²	28	81.3 Å²	81.3	14%	0.144	44%	0.441	C	S	.	.			trans	-75.7	-28.6	-175.5	-56.7	-179	0	0	0	111.3	H1075 E1078 Y1094 K1106	H1075-I1080 WeakPolarHBondContact O-CD1 2.98Å; E1078-I1080 HydrophobicContact CB-CD1 4.39Å; E1078-I1080 HydrophobicContact CB-CG1 3.85Å; E1078-I1080 PolarHBondContact O-N 2.88Å; I1080-Y1094 HydrophobicContact CB-CD2 4.49Å; I1080-Y1094 HydrophobicContact CB-CE2 4.29Å; I1080-Y1094 HydrophobicContact CD1-CD1 4.06Å; I1080-Y1094 HydrophobicContact CD1-CE1 3.99Å; I1080-Y1094 HydrophobicContact CD1-CG 4.45Å; I1080-Y1094 HydrophobicContact CG2-CD2 4.07Å; I1080-Y1094 HydrophobicContact CG2-CE1 4.23Å; I1080-Y1094 HydrophobicContact CG2-CE2 3.41Å; I1080-Y1094 VanDerWaalsContact CG2-CE2 3.41Å; I1080-K1106 HydrophobicContact CG2-CD 3.81Å; I1080-K1106 VanDerWaalsContact CG2-CE 3.42Å; I1080-K1106 HydrophobicContact CG2-CG 4.06Å; I1080-K1106 WeakPolarHBondContact O-CB 3Å; I1080-K1106 WeakPolarHBondContact O-CD 3.49Å
1081	C	74.7	Confident	65.7	Low	13 Å²	13	85.4 Å²	85.4	9%	0.088	46%	0.46	C	S	.	.	S	Bend	trans	-88.8	122	171.5	-43.8	0	0	0	0	109.2	N1079 G1085 C1096 K1106	N1079-C1081 VanDerWaalsContact C-N 3.35Å; C1081-G1085 WeakPolarHBondContact CB-O 3.35Å; C1081-C1096 VanDerWaalsContact CA-SG 3.51Å; C1081-C1096 HydrophobicContact CB-CB 3.77Å; C1081-C1096 WeakPolarHBondContact CB-SG 3.01Å; C1081-C1096 VanDerWaalsContact SG-CA 3.56Å; C1081-C1096 WeakPolarHBondContact SG-CB 3.39Å; C1081-C1096 CovalentContact SG-SG 2.03Å; C1081-C1096 PolarHBondContact SG-SG 3.43Å; C1081-K1106 WeakPolarHBondContact CA-O 3.39Å
1082	L	73.5	Confident	66	Low	99 Å²	99	87.7 Å²	87.7	52%	0.518	47%	0.467	S	S	.	.			trans	-150.8	131.2	-173.6	-78.1	169.8	0	0	0	111.1	N1079 K1106 C1107 Y1108	N1079-L1082 HydrophobicContact CB-CD2 4.38Å; N1079-L1082 WeakPolarHBondContact O-CD1 3.02Å; N1079-L1082 WeakPolarHBondContact O-CG 3.41Å; L1082-K1106 PolarHBondContact N-O 3.42Å; L1082-C1107 CarbonylContact O-C 3.56Å; L1082-C1107 VanDerWaalsContact O-O 3.13Å; L1082-Y1108 VanDerWaalsContact O-CA 3.29Å; L1082-Y1108 WeakPolarHBondContact O-CA 3.48Å; L1082-Y1108 WeakPolarHBondContact O-CB 3.35Å; L1082-Y1108 PolarHBondContact O-N 3.32Å
1083	P	60.8	Low	66.7	Low	71 Å²	71	88 Å²	88	46%	0.461	47%	0.469	S	S	.	.	S	Bend	cis	-78	164.2	-22.6	-6.7	26.6	0	0	0	111.5	G1085	P1083-G1085 PolarHBondContact O-N 3.2Å
1084	D	61.8	Low	67.4	Low	149 Å²	149	89.4 Å²	89.4	80%	0.797	47%	0.473	S	S	*	.	S	Bend	trans	50.1	12.4	166.2	-61	-16.6	0	0	0	119.3
1085	G	71.8	Confident	68.4	Low	14 Å²	14	89.1 Å²	89.1	14%	0.144	47%	0.469	C	S	.	.			trans	-76.4	127.9	169.8	0	0	0	0	0	113	C1081 P1083 C1087 S1097	C1081-G1085 WeakPolarHBondContact CB-O 3.35Å; P1083-G1085 PolarHBondContact O-N 3.2Å; G1085-C1087 PolarHBondContact O-N 3.23Å; G1085-S1097 CarbonylContact C-O 3.53Å; G1085-S1097 WeakPolarHBondContact CA-O 3.49Å
1086	E	77.3	Confident	69.5	Low	137 Å²	137	86.1 Å²	86.1	64%	0.64	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.1	176	179.1	173.8	-149.9	0	0	110.6	I1088 S1097	E1086-I1088 PolarHBondContact O-N 2.95Å; E1086-S1097 PolarHBondContact N-O 3.34Å; E1086-S1097 PolarHBondContact O-N 3.39Å
1087	C	76.7	Confident	70.2	Confident	42 Å²	42	87.8 Å²	87.8	28%	0.284	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	105.5	-179.1	-166.1	0	0	0	0	111.5	C1076 G1085	C1076-C1087 VanDerWaalsContact CA-SG 3.51Å; C1076-C1087 HydrophobicContact CB-CB 3.77Å; C1076-C1087 WeakPolarHBondContact CB-SG 3.03Å; C1076-C1087 WeakPolarHBondContact SG-CB 3.44Å; C1076-C1087 PolarHBondContact SG-O 2.82Å; C1076-C1087 CovalentContact SG-SG 2.04Å; C1076-C1087 PolarHBondContact SG-SG 2.96Å; G1085-C1087 PolarHBondContact O-N 3.23Å
1088	I	76	Confident	71.1	Confident	86 Å²	86	79.9 Å²	79.9	44%	0.441	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.9	173.8	-52.7	176	0	0	0	108.4	E1086 V1095	E1086-I1088 PolarHBondContact O-N 2.95Å; I1088-V1095 HydrophobicContact CB-CB 4.46Å; I1088-V1095 WeakPolarHBondContact CB-O 3.43Å; I1088-V1095 PolarHBondContact N-O 3.25Å; I1088-V1095 PolarHBondContact O-N 3.39Å
1089	G	63.8	Low	71.8	Confident	39 Å²	39	74.9 Å²	74.9	40%	0.402	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.5	175	0	0	0	0	0	112.5
1090	G	62.8	Low	72.7	Confident	22 Å²	22	75.9 Å²	75.9	23%	0.227	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.6	167.6	0	0	0	0	0	110.7	H1073 E1092 T1093	H1073-G1090 PolarHBondContact CE1-O 2.02Å; H1073-G1090 PolarHBondContact ND1-O 2.88Å; G1090-E1092 PolarHBondContact O-N 2.8Å; G1090-T1093 PolarHBondContact N-O 2.89Å; G1090-T1093 PolarHBondContact O-N 2.81Å
1091	D	63.5	Low	72.9	Confident	162 Å²	162	74.8 Å²	74.8	87%	0.866	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-30.2	-164.8	-59.3	-42	0	0	0	115.7
1092	E	64.1	Low	73.3	Confident	174 Å²	174	75 Å²	75	81%	0.813	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.4	16.4	171.6	-61.1	-171.1	153.8	0	0	112.7	G1090	G1090-E1092 PolarHBondContact O-N 2.8Å
1093	T	66.9	Low	73.6	Confident	81 Å²	81	72.3 Å²	72.3	50%	0.497	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	177.8	-168.5	59.9	0	0	0	0	113.7	G1090	G1090-T1093 PolarHBondContact N-O 2.89Å; G1090-T1093 PolarHBondContact O-N 2.81Å
1094	Y	70.2	Confident	74.5	Confident	80 Å²	80	71.8 Å²	71.8	31%	0.314	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.3	165.3	65.5	-85.3	0	0	0	109	H1075 I1080 K1106	H1075-Y1094 HydrophobicContact CB-CD1 4.42Å; I1080-Y1094 HydrophobicContact CB-CD2 4.49Å; I1080-Y1094 HydrophobicContact CB-CE2 4.29Å; I1080-Y1094 HydrophobicContact CD1-CD1 4.06Å; I1080-Y1094 HydrophobicContact CD1-CE1 3.99Å; I1080-Y1094 HydrophobicContact CD1-CG 4.45Å; I1080-Y1094 HydrophobicContact CG2-CD2 4.07Å; I1080-Y1094 HydrophobicContact CG2-CE1 4.23Å; I1080-Y1094 HydrophobicContact CG2-CE2 3.41Å; I1080-Y1094 VanDerWaalsContact CG2-CE2 3.41Å; Y1094-K1106 WeakPolarHBondContact OH-CE 3.32Å
1095	V	80.2	Confident	75.4	Confident	87 Å²	87	69.2 Å²	69.2	53%	0.527	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.2	171.4	178.9	0	0	0	0	107.9	I1088	I1088-V1095 HydrophobicContact CB-CB 4.46Å; I1088-V1095 WeakPolarHBondContact CB-O 3.43Å; I1088-V1095 PolarHBondContact N-O 3.25Å; I1088-V1095 PolarHBondContact O-N 3.39Å
1096	C	82.9	Confident	75.8	Confident	15 Å²	15	72.1 Å²	72.1	10%	0.101	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.5	173.6	-60	0	0	0	0	110	C1081 P1105 C1107	C1081-C1096 VanDerWaalsContact CA-SG 3.51Å; C1081-C1096 HydrophobicContact CB-CB 3.77Å; C1081-C1096 WeakPolarHBondContact CB-SG 3.01Å; C1081-C1096 VanDerWaalsContact SG-CA 3.56Å; C1081-C1096 WeakPolarHBondContact SG-CB 3.39Å; C1081-C1096 CovalentContact SG-SG 2.03Å; C1081-C1096 PolarHBondContact SG-SG 3.43Å; C1096-P1105 PolarHBondContact SG-O 3.27Å; C1096-C1107 VanDerWaalsContact CB-SG 3.53Å
1097	S	83.1	Confident	76.1	Confident	57 Å²	57	65.6 Å²	65.6	40%	0.399	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	102.6	166.8	-178.6	0	0	0	0	108.4	G1085 E1086	G1085-S1097 CarbonylContact C-O 3.53Å; G1085-S1097 WeakPolarHBondContact CA-O 3.49Å; E1086-S1097 PolarHBondContact N-O 3.34Å; E1086-S1097 PolarHBondContact O-N 3.39Å
1098	C	82.6	Confident	76.4	Confident	41 Å²	41	69.8 Å²	69.8	28%	0.277	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-76.8	151.7	-174.4	-54	0	0	0	0	112.5	V1102 H1104 C1107	C1098-V1102 HydrophobicContact CB-CG2 4.08Å; C1098-H1104 PolarHBondContact SG-O 2.76Å; C1098-C1107 WeakPolarHBondContact CA-SG 3.02Å; C1098-C1107 HydrophobicContact CB-CB 3.71Å; C1098-C1107 WeakPolarHBondContact CB-SG 3.36Å; C1098-C1107 WeakPolarHBondContact SG-CA 3.19Å; C1098-C1107 WeakPolarHBondContact SG-CB 3.33Å; C1098-C1107 CovalentContact SG-SG 2.04Å; C1098-C1107 PolarHBondContact SG-SG 3.01Å
1099	A	79.4	Confident	76.6	Confident	44 Å²	44	70 Å²	70	36%	0.364	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64.3	164.7	170.4	0	0	0	0	0	111.4	V1102	A1099-V1102 HydrophobicContact CB-CG2 3.9Å; A1099-V1102 WeakPolarHBondContact O-CG2 3.05Å; A1099-V1102 PolarHBondContact O-N 2.84Å
1100	E	80.5	Confident	77.6	Confident	152 Å²	152	70.7 Å²	70.7	71%	0.71	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	144.8	166.6	-62	-171.8	165.7	0	0	109.7	N1130	E1100-N1130 HydrophobicContact CB-CB 4.44Å; E1100-N1130 VanDerWaalsContact CB-ND2 3.29Å; E1100-N1130 WeakPolarHBondContact CB-ND2 3.03Å; E1100-N1130 PolarHBondContact OE2-ND2 2.94Å
1101	G	78.1	Confident	78.6	Confident	6 Å²	6	73.5 Å²	73.5	6%	0.062	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-14.9	-174.5	0	0	0	0	0	116.1	N1110 I1111	G1101-N1110 PolarHBondContact O-OD1 3.37Å; G1101-I1111 WeakPolarHBondContact O-CB 3.43Å; G1101-I1111 WeakPolarHBondContact O-CG1 3.12Å; G1101-I1111 PolarHBondContact O-N 3.15Å
1102	V	83.8	Confident	79.7	Confident	16 Å²	16	69.8 Å²	69.8	10%	0.097	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.6	-179.9	-81.2	0	0	0	0	114.3	C1098 A1099 C1107 I1129	C1098-V1102 HydrophobicContact CB-CG2 4.08Å; A1099-V1102 HydrophobicContact CB-CG2 3.9Å; A1099-V1102 WeakPolarHBondContact O-CG2 3.05Å; A1099-V1102 PolarHBondContact O-N 2.84Å; V1102-C1107 HydrophobicContact CG2-CB 4.45Å; V1102-I1129 HydrophobicContact CG1-CG2 4.3Å
1103	S	78.4	Confident	80.9	Confident	43 Å²	43	63.6 Å²	63.6	30%	0.301	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	-166.6	-174.1	72.5	0	0	0	0	111.7	C1107 Y1108 E1109	S1103-C1107 CarbonylContact O-C 2.78Å; S1103-C1107 VanDerWaalsContact O-C 3.27Å; S1103-C1107 WeakPolarHBondContact O-CA 3.37Å; S1103-C1107 PolarHBondContact O-N 3.1Å; S1103-Y1108 PolarHBondContact O-N 3.33Å; S1103-E1109 WeakPolarHBondContact CA-O 3.05Å; S1103-E1109 PolarHBondContact N-O 2.04Å; S1103-E1109 PolarHBondContact O-N 2.03Å; S1103-E1109 WeakPolarHBondContact OG-CB 3.38Å; S1103-E1109 PolarHBondContact OG-O 2.94Å
1104	H	80.4	Confident	82.2	Confident	61 Å²	61	60.7 Å²	60.7	28%	0.282	33%	0.325	S	S	.	.	S	Bend	trans	68.8	148	-162.7	-160.7	-99.8	0	0	0	114.8	C1098 K1106 C1107 Y1108 E1109	C1098-H1104 PolarHBondContact SG-O 2.76Å; H1104-K1106 PolarHBondContact ND1-N 2.79Å; H1104-K1106 PolarHBondContact O-N 2.96Å; H1104-C1107 PolarHBondContact O-N 2.83Å; H1104-Y1108 HydrophobicContact CB-CD2 4.49Å; H1104-Y1108 HydrophobicContact CB-CE2 4.35Å; H1104-Y1108 AromaticContact CD2-CZ 3.95Å; H1104-Y1108 AromaticContact CE1-CE1 3.55Å; H1104-Y1108 AromaticContact CE1-CZ 3.39Å; H1104-Y1108 PolarHBondContact CE1-OH 2.8Å; H1104-Y1108 AromaticContact CG-CE2 3.9Å; H1104-Y1108 AromaticContact CG-CZ 3.68Å; H1104-Y1108 AromaticContact ND1-CD1 3.89Å; H1104-Y1108 AromaticContact ND1-CE1 3.27Å; H1104-Y1108 VanDerWaalsContact ND1-CE1 3.27Å; H1104-Y1108 WeakPolarHBondContact ND1-CE1 2.99Å; H1104-Y1108 AromaticContact ND1-CE2 3.97Å; H1104-Y1108 AromaticContact ND1-CZ 3.3Å; H1104-Y1108 VanDerWaalsContact ND1-CZ 3.3Å; H1104-Y1108 PolarHBondContact ND1-OH 2.83Å; H1104-Y1108 AromaticContact NE2-CZ 3.83Å; H1104-Y1108 PolarHBondContact NE2-OH 2.04Å; H1104-E1109 HydrophobicContact CB-CB 3.93Å; H1104-E1109 HydrophobicContact CB-CG 3.76Å; H1104-E1109 WeakPolarHBondContact CB-OE2 3.39Å; H1104-E1109 VanDerWaalsContact CD2-CD 3.5Å; H1104-E1109 IonicContact CD2-OE1 3.51Å; H1104-E1109 PolarHBondContact CD2-OE1 3.39Å; H1104-E1109 VanDerWaalsContact CD2-OE1 3.24Å; H1104-E1109 IonicContact CD2-OE2 2.68Å; H1104-E1109 IonicContact CG-OE1 3.81Å; H1104-E1109 IonicContact CG-OE2 3.76Å
1105	P	80.1	Confident	83.1	Confident	94 Å²	94	63.8 Å²	63.8	61%	0.61	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	4.8	169.9	-29.8	37.3	0	0	0	117.8	C1096	C1096-P1105 PolarHBondContact SG-O 3.27Å
1106	K	80.3	Confident	83.5	Confident	76 Å²	76	63.8 Å²	63.8	33%	0.33	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.3	4.1	174.2	-67.4	-166.5	178.5	-169.1	0	113.8	I1080 C1081 L1082 Y1094 H1104 Y1108	I1080-K1106 HydrophobicContact CG2-CD 3.81Å; I1080-K1106 VanDerWaalsContact CG2-CE 3.42Å; I1080-K1106 HydrophobicContact CG2-CG 4.06Å; I1080-K1106 WeakPolarHBondContact O-CB 3Å; I1080-K1106 WeakPolarHBondContact O-CD 3.49Å; C1081-K1106 WeakPolarHBondContact CA-O 3.39Å; L1082-K1106 PolarHBondContact N-O 3.42Å; Y1094-K1106 WeakPolarHBondContact OH-CE 3.32Å; H1104-K1106 PolarHBondContact ND1-N 2.79Å; H1104-K1106 PolarHBondContact O-N 2.96Å; K1106-Y1108 VanDerWaalsContact C-N 3.32Å; K1106-Y1108 HydrophobicContact CB-CD1 3.61Å; K1106-Y1108 HydrophobicContact CB-CE1 3.88Å; K1106-Y1108 HydrophobicContact CD-CD1 4.42Å; K1106-Y1108 HydrophobicContact CD-CE1 4.15Å; K1106-Y1108 HydrophobicContact CG-CE1 4.44Å; K1106-Y1108 PolarHBondContact O-N 3.36Å
1107	C	84.1	Confident	83.8	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	67.2	17.7	178.1	-44.3	0	0	0	0	116.8	L1082 C1096 C1098 V1102 S1103 H1104	L1082-C1107 CarbonylContact O-C 3.56Å; L1082-C1107 VanDerWaalsContact O-O 3.13Å; C1096-C1107 VanDerWaalsContact CB-SG 3.53Å; C1098-C1107 WeakPolarHBondContact CA-SG 3.02Å; C1098-C1107 HydrophobicContact CB-CB 3.71Å; C1098-C1107 WeakPolarHBondContact CB-SG 3.36Å; C1098-C1107 WeakPolarHBondContact SG-CA 3.19Å; C1098-C1107 WeakPolarHBondContact SG-CB 3.33Å; C1098-C1107 CovalentContact SG-SG 2.04Å; C1098-C1107 PolarHBondContact SG-SG 3.01Å; V1102-C1107 HydrophobicContact CG2-CB 4.45Å; S1103-C1107 CarbonylContact O-C 2.78Å; S1103-C1107 VanDerWaalsContact O-C 3.27Å; S1103-C1107 WeakPolarHBondContact O-CA 3.37Å; S1103-C1107 PolarHBondContact O-N 3.1Å; H1104-C1107 PolarHBondContact O-N 2.83Å
1108	Y	82.2	Confident	84.3	Confident	130 Å²	130	67.7 Å²	67.7	51%	0.51	36%	0.362	S	S	.	.			trans	-94.2	-9.1	-177.4	66.4	-119.8	0	0	0	115	L1082 S1103 H1104 K1106	L1082-Y1108 VanDerWaalsContact O-CA 3.29Å; L1082-Y1108 WeakPolarHBondContact O-CA 3.48Å; L1082-Y1108 WeakPolarHBondContact O-CB 3.35Å; L1082-Y1108 PolarHBondContact O-N 3.32Å; S1103-Y1108 PolarHBondContact O-N 3.33Å; H1104-Y1108 HydrophobicContact CB-CD2 4.49Å; H1104-Y1108 HydrophobicContact CB-CE2 4.35Å; H1104-Y1108 AromaticContact CD2-CZ 3.95Å; H1104-Y1108 AromaticContact CE1-CE1 3.55Å; H1104-Y1108 AromaticContact CE1-CZ 3.39Å; H1104-Y1108 PolarHBondContact CE1-OH 2.8Å; H1104-Y1108 AromaticContact CG-CE2 3.9Å; H1104-Y1108 AromaticContact CG-CZ 3.68Å; H1104-Y1108 AromaticContact ND1-CD1 3.89Å; H1104-Y1108 AromaticContact ND1-CE1 3.27Å; H1104-Y1108 VanDerWaalsContact ND1-CE1 3.27Å; H1104-Y1108 WeakPolarHBondContact ND1-CE1 2.99Å; H1104-Y1108 AromaticContact ND1-CE2 3.97Å; H1104-Y1108 AromaticContact ND1-CZ 3.3Å; H1104-Y1108 VanDerWaalsContact ND1-CZ 3.3Å; H1104-Y1108 PolarHBondContact ND1-OH 2.83Å; H1104-Y1108 AromaticContact NE2-CZ 3.83Å; H1104-Y1108 PolarHBondContact NE2-OH 2.04Å; K1106-Y1108 VanDerWaalsContact C-N 3.32Å; K1106-Y1108 HydrophobicContact CB-CD1 3.61Å; K1106-Y1108 HydrophobicContact CB-CE1 3.88Å; K1106-Y1108 HydrophobicContact CD-CD1 4.42Å; K1106-Y1108 HydrophobicContact CD-CE1 4.15Å; K1106-Y1108 HydrophobicContact CG-CE1 4.44Å; K1106-Y1108 PolarHBondContact O-N 3.36Å
1109	E	81.3	Confident	84.8	Confident	89 Å²	89	66.7 Å²	66.7	42%	0.416	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.6	179.6	-72.6	170.1	-179.5	0	0	109.2	S1103 H1104	S1103-E1109 WeakPolarHBondContact CA-O 3.05Å; S1103-E1109 PolarHBondContact N-O 2.04Å; S1103-E1109 PolarHBondContact O-N 2.03Å; S1103-E1109 WeakPolarHBondContact OG-CB 3.38Å; S1103-E1109 PolarHBondContact OG-O 2.94Å; H1104-E1109 HydrophobicContact CB-CB 3.93Å; H1104-E1109 HydrophobicContact CB-CG 3.76Å; H1104-E1109 WeakPolarHBondContact CB-OE2 3.39Å; H1104-E1109 VanDerWaalsContact CD2-CD 3.5Å; H1104-E1109 IonicContact CD2-OE1 3.51Å; H1104-E1109 PolarHBondContact CD2-OE1 3.39Å; H1104-E1109 VanDerWaalsContact CD2-OE1 3.24Å; H1104-E1109 IonicContact CD2-OE2 2.68Å; H1104-E1109 IonicContact CG-OE1 3.81Å; H1104-E1109 IonicContact CG-OE2 3.76Å
1110	N	83.7	Confident	85.5	Confident	55 Å²	55	67.8 Å²	67.8	29%	0.294	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	143.6	173.2	-156.8	58.3	0	0	0	110.5	G1101 D1127 G1128	G1101-N1110 PolarHBondContact O-OD1 3.37Å; N1110-D1127 PolarHBondContact ND2-OD2 2.82Å; N1110-G1128 PolarHBondContact ND2-O 3.22Å
1111	I	85.7	Confident	85.9	Confident	80 Å²	80	63.4 Å²	63.4	41%	0.41	34%	0.339	S	S	.	.			trans	-87.6	114.9	173.8	-60.7	172.7	0	0	0	107	G1101 D1113	G1101-I1111 WeakPolarHBondContact O-CB 3.43Å; G1101-I1111 WeakPolarHBondContact O-CG1 3.12Å; G1101-I1111 PolarHBondContact O-N 3.15Å; I1111-D1113 PolarHBondContact O-N 2.73Å
1112	D	86.2	Confident	86.3	Confident	85 Å²	85	71.7 Å²	71.7	46%	0.455	37%	0.374	S	S	.	.			trans	-60.2	94.6	178.9	176.7	7	0	0	0	111.4	C1114 H1115 D1127	D1112-C1114 PolarHBondContact O-N 2.88Å; D1112-C1114 VanDerWaalsContact OD1-C 3.28Å; D1112-C1114 VanDerWaalsContact OD1-CA 3.27Å; D1112-C1114 WeakPolarHBondContact OD1-CA 3.06Å; D1112-C1114 VanDerWaalsContact OD1-CB 3.23Å; D1112-C1114 WeakPolarHBondContact OD1-CB 3.38Å; D1112-C1114 PolarHBondContact OD1-N 3.47Å; D1112-H1115 HydrophobicContact CB-CB 4.26Å; D1112-H1115 VanDerWaalsContact CG-N 3.35Å; D1112-H1115 VanDerWaalsContact O-CB 3.29Å; D1112-H1115 WeakPolarHBondContact O-CB 3.42Å; D1112-H1115 PolarHBondContact O-N 3.44Å; D1112-H1115 PolarHBondContact OD1-N 2.86Å; D1112-H1115 WeakPolarHBondContact OD2-CB 3.16Å; D1112-D1127 WeakPolarHBondContact CA-OD1 3.42Å
1113	D	89.2	Confident	86.6	Confident	44 Å²	44	71.6 Å²	71.6	24%	0.235	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-69.6	-27.2	175.9	-87.2	-47.1	0	0	0	110.5	I1111 H1115 S1116 D1127 N1130 E1131	I1111-D1113 PolarHBondContact O-N 2.73Å; D1113-H1115 VanDerWaalsContact C-N 3.3Å; D1113-H1115 PolarHBondContact O-N 3.18Å; D1113-S1116 PolarHBondContact O-N 3.39Å; D1113-S1116 PolarHBondContact O-OG 2.95Å; D1113-D1127 PolarHBondContact N-OD1 2.84Å; D1113-N1130 VanDerWaalsContact OD2-CA 3.31Å; D1113-N1130 WeakPolarHBondContact OD2-CA 3.45Å; D1113-E1131 PolarHBondContact OD2-N 2.81Å; D1113-E1131 VanDerWaalsContact OD2-N 3.15Å
1114	C	92.9	Very high	87.3	Confident	19 Å²	19	73.1 Å²	73.1	13%	0.128	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-70	-19.3	175.9	-74.2	0	0	0	0	114.2	D1112 S1116 N1117 C1125 Y1126	D1112-C1114 PolarHBondContact O-N 2.88Å; D1112-C1114 VanDerWaalsContact OD1-C 3.28Å; D1112-C1114 VanDerWaalsContact OD1-CA 3.27Å; D1112-C1114 WeakPolarHBondContact OD1-CA 3.06Å; D1112-C1114 VanDerWaalsContact OD1-CB 3.23Å; D1112-C1114 WeakPolarHBondContact OD1-CB 3.38Å; D1112-C1114 PolarHBondContact OD1-N 3.47Å; C1114-S1116 PolarHBondContact O-N 2.81Å; C1114-S1116 VanDerWaalsContact O-N 3.1Å; C1114-N1117 WeakPolarHBondContact O-CA 3.46Å; C1114-N1117 PolarHBondContact O-N 3.48Å; C1114-C1125 WeakPolarHBondContact CA-SG 3.27Å; C1114-C1125 HydrophobicContact CB-CB 3.73Å; C1114-C1125 WeakPolarHBondContact CB-SG 3.5Å; C1114-C1125 VanDerWaalsContact SG-C 3.52Å; C1114-C1125 WeakPolarHBondContact SG-CB 3.45Å; C1114-C1125 CovalentContact SG-SG 2.03Å; C1114-C1125 PolarHBondContact SG-SG 2.81Å; C1114-Y1126 PolarHBondContact SG-O 2.94Å
1115	H	90.4	Very high	87.9	Confident	146 Å²	146	72 Å²	72	68%	0.676	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-53.6	-31.2	172.1	-177.1	-84.9	0	0	0	111.9	D1112 D1113 N1117	D1112-H1115 HydrophobicContact CB-CB 4.26Å; D1112-H1115 VanDerWaalsContact CG-N 3.35Å; D1112-H1115 VanDerWaalsContact O-CB 3.29Å; D1112-H1115 WeakPolarHBondContact O-CB 3.42Å; D1112-H1115 PolarHBondContact O-N 3.44Å; D1112-H1115 PolarHBondContact OD1-N 2.86Å; D1112-H1115 WeakPolarHBondContact OD2-CB 3.16Å; D1113-H1115 VanDerWaalsContact C-N 3.3Å; D1113-H1115 PolarHBondContact O-N 3.18Å; H1115-N1117 PolarHBondContact O-N 2.56Å; H1115-N1117 PolarHBondContact O-ND2 3.08Å
1116	S	89.1	Confident	88.5	Confident	86 Å²	86	72.8 Å²	72.8	60%	0.601	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-67.3	-11.6	175.5	70.1	0	0	0	0	114.4	D1113 C1114 P1118	D1113-S1116 PolarHBondContact O-N 3.39Å; D1113-S1116 PolarHBondContact O-OG 2.95Å; C1114-S1116 PolarHBondContact O-N 2.81Å; C1114-S1116 VanDerWaalsContact O-N 3.1Å; S1116-P1118 WeakPolarHBondContact OG-CD 3.41Å
1117	N	89	Confident	88.9	Confident	134 Å²	134	72.8 Å²	72.8	72%	0.717	38%	0.377	S	S	*	.			trans	51.5	58.1	-171.9	-71.8	-107.9	0	0	0	112.5	C1114 H1115 C1119	C1114-N1117 WeakPolarHBondContact O-CA 3.46Å; C1114-N1117 PolarHBondContact O-N 3.48Å; H1115-N1117 PolarHBondContact O-N 2.56Å; H1115-N1117 PolarHBondContact O-ND2 3.08Å; N1117-C1119 VanDerWaalsContact C-N 3.33Å; N1117-C1119 PolarHBondContact O-N 3.31Å
1118	P	92.9	Very high	88.9	Confident	21 Å²	21	73.9 Å²	73.9	14%	0.136	39%	0.388	C	S	.	.			trans	-74.8	-21.2	-171.3	31.7	-34.6	0	0	0	113.3	S1116 V1120 Y1132 S1144	S1116-P1118 WeakPolarHBondContact OG-CD 3.41Å; P1118-V1120 PolarHBondContact O-N 2.73Å; P1118-Y1132 HydrophobicContact CB-CD1 4.25Å; P1118-Y1132 HydrophobicContact CB-CD2 3.9Å; P1118-Y1132 HydrophobicContact CB-CE1 4Å; P1118-Y1132 HydrophobicContact CB-CE2 3.63Å; P1118-Y1132 HydrophobicContact CB-CG 4.21Å; P1118-Y1132 HydrophobicContact CG-CD1 4Å; P1118-Y1132 HydrophobicContact CG-CD2 3.45Å; P1118-Y1132 VanDerWaalsContact CG-CD2 3.45Å; P1118-Y1132 HydrophobicContact CG-CE1 4.26Å; P1118-Y1132 HydrophobicContact CG-CE2 3.76Å; P1118-Y1132 HydrophobicContact CG-CG 3.6Å; P1118-S1144 VanDerWaalsContact O-CB 3.32Å; P1118-S1144 WeakPolarHBondContact O-CB 3.29Å
1119	C	94.3	Very high	88.9	Confident	20 Å²	20	72.6 Å²	72.6	14%	0.135	39%	0.389	C	S	.	.			trans	-83.2	110.5	-179.1	-48	0	0	0	0	111.3	N1117 G1123 C1125 C1134	N1117-C1119 VanDerWaalsContact C-N 3.33Å; N1117-C1119 PolarHBondContact O-N 3.31Å; C1119-G1123 WeakPolarHBondContact CB-O 3.47Å; C1119-C1125 WeakPolarHBondContact SG-CA 3.42Å; C1119-C1125 WeakPolarHBondContact SG-CB 3.23Å; C1119-C1125 VanDerWaalsContact SG-SG 3.68Å; C1119-C1134 WeakPolarHBondContact CA-SG 3.26Å; C1119-C1134 HydrophobicContact CB-CB 3.82Å; C1119-C1134 WeakPolarHBondContact CB-SG 3.06Å; C1119-C1134 WeakPolarHBondContact SG-CA 3.06Å; C1119-C1134 WeakPolarHBondContact SG-CB 3.2Å; C1119-C1134 CovalentContact SG-SG 2.03Å; C1119-C1134 PolarHBondContact SG-SG 2.76Å
1120	V	92.5	Very high	89	Confident	67 Å²	67	72.4 Å²	72.4	41%	0.406	39%	0.391	S	S	.	.			trans	-83.1	-178.9	173.4	-59.3	0	0	0	0	111.1	P1118 K1122 G1123 S1144 E1146	P1118-V1120 PolarHBondContact O-N 2.73Å; V1120-K1122 PolarHBondContact O-N 2.94Å; V1120-G1123 PolarHBondContact O-N 3.48Å; V1120-S1144 WeakPolarHBondContact CG2-O 3.47Å; V1120-S1144 PolarHBondContact N-O 3.24Å; V1120-E1146 HydrophobicContact CG2-CB 3.98Å
1121	N	89.7	Confident	89.2	Confident	60 Å²	60	75.8 Å²	75.8	32%	0.321	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	29.8	170.3	-64.2	-29.4	0	0	0	115.6	G1123 Y1140 C1145	N1121-G1123 VanDerWaalsContact C-N 3.32Å; N1121-Y1140 HydrophobicContact CB-CD1 3.7Å; N1121-Y1140 HydrophobicContact CB-CD2 3.82Å; N1121-Y1140 HydrophobicContact CB-CE1 3.63Å; N1121-Y1140 HydrophobicContact CB-CE2 3.72Å; N1121-Y1140 HydrophobicContact CB-CG 3.79Å; N1121-Y1140 WeakPolarHBondContact ND2-CD1 3.37Å; N1121-Y1140 VanDerWaalsContact ND2-CE1 3.32Å; N1121-Y1140 WeakPolarHBondContact ND2-CE1 3.31Å; N1121-C1145 PolarHBondContact ND2-O 3.21Å
1122	K	86.6	Confident	89.4	Confident	180 Å²	180	75.8 Å²	75.8	78%	0.783	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	32	-174.4	-44.2	171.9	-171.9	167	0	113.9	V1120 S1137	V1120-K1122 PolarHBondContact O-N 2.94Å; K1122-S1137 PolarHBondContact O-OG 2.75Å
1123	G	90.3	Very high	89.8	Confident	14 Å²	14	75.6 Å²	75.6	14%	0.144	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-65.2	140.6	161.3	0	0	0	0	0	110.8	C1119 V1120 N1121 R1135	C1119-G1123 WeakPolarHBondContact CB-O 3.47Å; V1120-G1123 PolarHBondContact O-N 3.48Å; N1121-G1123 VanDerWaalsContact C-N 3.32Å; G1123-R1135 CarbonylContact C-O 3.53Å; G1123-R1135 VanDerWaalsContact CA-O 3.27Å; G1123-R1135 WeakPolarHBondContact CA-O 3.36Å
1124	T	92.2	Very high	90	Very high	75 Å²	75	74.4 Å²	74.4	46%	0.46	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.3	170.3	-54.8	0	0	0	0	108.7	Y1126 C1134 R1135	T1124-Y1126 HydrophobicContact CG2-CD2 4.32Å; T1124-Y1126 HydrophobicContact CG2-CE2 3.64Å; T1124-C1134 WeakPolarHBondContact O-CA 3.45Å; T1124-R1135 PolarHBondContact N-O 2.82Å; T1124-R1135 PolarHBondContact O-N 3.5Å
1125	C	94	Very high	90.1	Very high	36 Å²	36	79 Å²	79	24%	0.243	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134	175.7	-161	0	0	0	0	110.3	C1114 C1119	C1114-C1125 WeakPolarHBondContact CA-SG 3.27Å; C1114-C1125 HydrophobicContact CB-CB 3.73Å; C1114-C1125 WeakPolarHBondContact CB-SG 3.5Å; C1114-C1125 VanDerWaalsContact SG-C 3.52Å; C1114-C1125 WeakPolarHBondContact SG-CB 3.45Å; C1114-C1125 CovalentContact SG-SG 2.03Å; C1114-C1125 PolarHBondContact SG-SG 2.81Å; C1119-C1125 WeakPolarHBondContact SG-CA 3.42Å; C1119-C1125 WeakPolarHBondContact SG-CB 3.23Å; C1119-C1125 VanDerWaalsContact SG-SG 3.68Å
1126	Y	92.7	Very high	90.2	Very high	111 Å²	111	73.8 Å²	73.8	44%	0.435	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.4	169.4	-65.8	-95.7	0	0	0	108.4	C1114 T1124 V1133 R1135	C1114-Y1126 PolarHBondContact SG-O 2.94Å; T1124-Y1126 HydrophobicContact CG2-CD2 4.32Å; T1124-Y1126 HydrophobicContact CG2-CE2 3.64Å; Y1126-V1133 PolarHBondContact N-O 3.25Å; Y1126-V1133 PolarHBondContact O-N 3.47Å; Y1126-R1135 HydrophobicContact CD2-CB 4.15Å; Y1126-R1135 HydrophobicContact CE2-CB 3.6Å
1127	D	88.5	Confident	90.2	Very high	76 Å²	76	71.4 Å²	71.4	41%	0.406	38%	0.375	S	S	.	.			trans	-77.7	151.7	-177.6	-169.7	45.1	0	0	0	111.4	N1110 D1112 D1113	N1110-D1127 PolarHBondContact ND2-OD2 2.82Å; D1112-D1127 WeakPolarHBondContact CA-OD1 3.42Å; D1113-D1127 PolarHBondContact N-OD1 2.84Å
1128	G	83.6	Confident	90	Very high	23 Å²	23	69.4 Å²	69.4	24%	0.237	37%	0.369	C	S	.	.			trans	-159.4	175.9	-175.6	0	0	0	0	0	111.4	N1110 N1130 E1131	N1110-G1128 PolarHBondContact ND2-O 3.22Å; G1128-N1130 PolarHBondContact O-N 2.7Å; G1128-N1130 VanDerWaalsContact O-N 3.14Å; G1128-E1131 CarbonylContact C-O 3.56Å; G1128-E1131 VanDerWaalsContact C-O 3.31Å; G1128-E1131 WeakPolarHBondContact CA-O 3.02Å; G1128-E1131 PolarHBondContact N-O 3.14Å; G1128-E1131 VanDerWaalsContact N-O 3.08Å
1129	I	82.6	Confident	89.7	Confident	103 Å²	103	68.6 Å²	68.6	53%	0.528	36%	0.364	S	S	.	.	S	Bend	trans	-82.3	99.7	-174.5	-54.9	176	0	0	0	109.2	V1102 E1131	V1102-I1129 HydrophobicContact CG1-CG2 4.3Å; I1129-E1131 PolarHBondContact O-N 3.22Å
1130	N	82.7	Confident	89.6	Confident	86 Å²	86	70 Å²	70	46%	0.46	37%	0.367	S	S	.	.	S	Bend	trans	62.4	24.5	-176.8	-152.2	39.7	0	0	0	113	E1100 D1113 G1128	E1100-N1130 HydrophobicContact CB-CB 4.44Å; E1100-N1130 VanDerWaalsContact CB-ND2 3.29Å; E1100-N1130 WeakPolarHBondContact CB-ND2 3.03Å; E1100-N1130 PolarHBondContact OE2-ND2 2.94Å; D1113-N1130 VanDerWaalsContact OD2-CA 3.31Å; D1113-N1130 WeakPolarHBondContact OD2-CA 3.45Å; G1128-N1130 PolarHBondContact O-N 2.7Å; G1128-N1130 VanDerWaalsContact O-N 3.14Å
1131	E	88.2	Confident	89.5	Confident	126 Å²	126	70.1 Å²	70.1	59%	0.589	37%	0.368	S	S	*	.			trans	-152.9	135.6	-177.6	178.7	168.5	-140.8	0	0	109.6	D1113 G1128 I1129	D1113-E1131 PolarHBondContact OD2-N 2.81Å; D1113-E1131 VanDerWaalsContact OD2-N 3.15Å; G1128-E1131 CarbonylContact C-O 3.56Å; G1128-E1131 VanDerWaalsContact C-O 3.31Å; G1128-E1131 WeakPolarHBondContact CA-O 3.02Å; G1128-E1131 PolarHBondContact N-O 3.14Å; G1128-E1131 VanDerWaalsContact N-O 3.08Å; I1129-E1131 PolarHBondContact O-N 3.22Å
1132	Y	90.7	Very high	89.5	Confident	79 Å²	79	68.3 Å²	68.3	31%	0.31	36%	0.364	S	S	.	.			trans	-109.2	144.3	168.8	65.7	-91.2	0	0	0	110.3	P1118 S1144	P1118-Y1132 HydrophobicContact CB-CD1 4.25Å; P1118-Y1132 HydrophobicContact CB-CD2 3.9Å; P1118-Y1132 HydrophobicContact CB-CE1 4Å; P1118-Y1132 HydrophobicContact CB-CE2 3.63Å; P1118-Y1132 HydrophobicContact CB-CG 4.21Å; P1118-Y1132 HydrophobicContact CG-CD1 4Å; P1118-Y1132 HydrophobicContact CG-CD2 3.45Å; P1118-Y1132 VanDerWaalsContact CG-CD2 3.45Å; P1118-Y1132 HydrophobicContact CG-CE1 4.26Å; P1118-Y1132 HydrophobicContact CG-CE2 3.76Å; P1118-Y1132 HydrophobicContact CG-CG 3.6Å; Y1132-S1144 PolarHBondContact OH-OG 2.79Å
1133	V	93.1	Very high	89.6	Confident	82 Å²	82	67.6 Å²	67.6	50%	0.497	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	112.5	176.8	-179.5	0	0	0	0	109.9	Y1126	Y1126-V1133 PolarHBondContact N-O 3.25Å; Y1126-V1133 PolarHBondContact O-N 3.47Å
1134	C	94.7	Very high	89.7	Confident	18 Å²	18	68.4 Å²	68.4	12%	0.122	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	110.9	174.7	-65.7	0	0	0	0	111.8	C1119 T1124 C1136 Q1143	C1119-C1134 WeakPolarHBondContact CA-SG 3.26Å; C1119-C1134 HydrophobicContact CB-CB 3.82Å; C1119-C1134 WeakPolarHBondContact CB-SG 3.06Å; C1119-C1134 WeakPolarHBondContact SG-CA 3.06Å; C1119-C1134 WeakPolarHBondContact SG-CB 3.2Å; C1119-C1134 CovalentContact SG-SG 2.03Å; C1119-C1134 PolarHBondContact SG-SG 2.76Å; T1124-C1134 WeakPolarHBondContact O-CA 3.45Å; C1134-C1136 PolarHBondContact O-N 2.04Å; C1134-Q1143 WeakPolarHBondContact CB-O 3.02Å; C1134-Q1143 PolarHBondContact SG-O 3.12Å
1135	R	94	Very high	89.8	Confident	115 Å²	115	64.9 Å²	64.9	43%	0.434	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	105.1	165.4	-176.8	179.3	177.2	161.5	-0.1	108.8	N717 G1123 T1124 Y1126	N717-R1135 PolarHBondContact O-NH2 2.57Å; G1123-R1135 CarbonylContact C-O 3.53Å; G1123-R1135 VanDerWaalsContact CA-O 3.27Å; G1123-R1135 WeakPolarHBondContact CA-O 3.36Å; T1124-R1135 PolarHBondContact N-O 2.82Å; T1124-R1135 PolarHBondContact O-N 3.5Å; Y1126-R1135 HydrophobicContact CD2-CB 4.15Å; Y1126-R1135 HydrophobicContact CE2-CB 3.6Å
1136	C	92.5	Very high	89.7	Confident	37 Å²	37	67 Å²	67	25%	0.25	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.5	146.7	-177	-54.4	0	0	0	0	113.1	C1134 Y1140 C1145	C1134-C1136 PolarHBondContact O-N 2.04Å; C1136-Y1140 WeakPolarHBondContact CB-O 3.42Å; C1136-C1145 WeakPolarHBondContact CA-SG 3.43Å; C1136-C1145 HydrophobicContact CB-CB 3.74Å; C1136-C1145 WeakPolarHBondContact CB-SG 3.08Å; C1136-C1145 PolarHBondContact N-SG 3.46Å; C1136-C1145 WeakPolarHBondContact SG-CA 3.29Å; C1136-C1145 WeakPolarHBondContact SG-CB 3.17Å; C1136-C1145 CovalentContact SG-SG 2.04Å; C1136-C1145 PolarHBondContact SG-SG 3.44Å
1137	S	89.3	Confident	89.5	Confident	36 Å²	36	67.2 Å²	67.2	25%	0.252	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-62.2	154.4	161.8	-83.8	0	0	0	0	110	K1122 Y1140	K1122-S1137 PolarHBondContact O-OG 2.75Å; S1137-Y1140 PolarHBondContact O-N 3.09Å
1138	P	85.8	Confident	89.6	Confident	93 Å²	93	67.5 Å²	67.5	60%	0.604	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	146	168.9	-29.1	37.2	0	0	0	112.6	Y1140 D1168	P1138-Y1140 VanDerWaalsContact C-N 3.32Å; P1138-Y1140 PolarHBondContact O-N 3.05Å; P1138-D1168 VanDerWaalsContact C-OD1 3.28Å; P1138-D1168 WeakPolarHBondContact CB-OD1 3.29Å; P1138-D1168 VanDerWaalsContact CB-OD2 3.31Å; P1138-D1168 WeakPolarHBondContact CB-OD2 3.45Å
1139	G	86	Confident	89.8	Confident	3 Å²	3	69.4 Å²	69.4	3%	0.031	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-5.9	-171.4	0	0	0	0	0	116.6	I1149 D1168	G1139-I1149 PolarHBondContact O-N 3.16Å; G1139-D1168 PolarHBondContact N-OD1 2.86Å
1140	Y	92	Very high	90.1	Very high	50 Å²	50	68 Å²	68	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.7	-175	-65.9	-74.2	0	0	0	115.5	N1121 C1136 S1137 P1138 K1147 L1167	N1121-Y1140 HydrophobicContact CB-CD1 3.7Å; N1121-Y1140 HydrophobicContact CB-CD2 3.82Å; N1121-Y1140 HydrophobicContact CB-CE1 3.63Å; N1121-Y1140 HydrophobicContact CB-CE2 3.72Å; N1121-Y1140 HydrophobicContact CB-CG 3.79Å; N1121-Y1140 WeakPolarHBondContact ND2-CD1 3.37Å; N1121-Y1140 VanDerWaalsContact ND2-CE1 3.32Å; N1121-Y1140 WeakPolarHBondContact ND2-CE1 3.31Å; C1136-Y1140 WeakPolarHBondContact CB-O 3.42Å; S1137-Y1140 PolarHBondContact O-N 3.09Å; P1138-Y1140 VanDerWaalsContact C-N 3.32Å; P1138-Y1140 PolarHBondContact O-N 3.05Å; Y1140-K1147 CarbonylContact C-O 3.5Å; Y1140-K1147 WeakPolarHBondContact CA-O 3.34Å; Y1140-L1167 HydrophobicContact CD2-CD1 4.38Å; Y1140-L1167 HydrophobicContact CE1-CD1 4.11Å; Y1140-L1167 HydrophobicContact CE2-CD1 3.54Å; Y1140-L1167 VanDerWaalsContact OH-CD1 3.3Å; Y1140-L1167 WeakPolarHBondContact OH-CD1 3.4Å
1141	T	89.8	Confident	90.5	Very high	70 Å²	70	65.6 Å²	65.6	43%	0.429	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	174.2	178.3	-169.1	0	0	0	0	112.2	C1145 E1146 K1147 I1149	T1141-C1145 CarbonylContact O-C 3.03Å; T1141-C1145 VanDerWaalsContact O-C 3.24Å; T1141-C1145 WeakPolarHBondContact O-CA 3.06Å; T1141-E1146 PolarHBondContact O-N 3.46Å; T1141-K1147 HydrophobicContact CG2-CB 3.86Å; T1141-K1147 PolarHBondContact N-O 3.12Å; T1141-K1147 WeakPolarHBondContact O-CB 3.41Å; T1141-K1147 PolarHBondContact O-N 2.84Å; T1141-I1149 HydrophobicContact CG2-CG1 3.89Å
1142	G	90.7	Very high	90.7	Very high	22 Å²	22	60.6 Å²	60.6	23%	0.227	32%	0.318	C	S	.	.	S	Bend	trans	102	165	-173.2	0	0	0	0	0	113.4	S1144 C1145 E1146	G1142-S1144 PolarHBondContact O-N 3.04Å; G1142-C1145 PolarHBondContact O-N 3Å; G1142-C1145 VanDerWaalsContact O-N 3.13Å; G1142-E1146 VanDerWaalsContact C-OE2 3.31Å; G1142-E1146 WeakPolarHBondContact CA-OE1 3.1Å; G1142-E1146 WeakPolarHBondContact CA-OE2 3.49Å
1143	Q	89.3	Confident	90.7	Very high	164 Å²	164	64.5 Å²	64.5	77%	0.766	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.5	-176.6	-76.1	-176.8	-60.7	0	0	112.9	C1134 E1146	C1134-Q1143 WeakPolarHBondContact CB-O 3.02Å; C1134-Q1143 PolarHBondContact SG-O 3.12Å; Q1143-E1146 PolarHBondContact N-OE2 3.21Å
1144	S	91.6	Very high	90.5	Very high	32 Å²	32	65.1 Å²	65.1	22%	0.224	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	10.6	176.4	-56.2	0	0	0	0	111.6	P1118 V1120 Y1132 G1142 E1146	P1118-S1144 VanDerWaalsContact O-CB 3.32Å; P1118-S1144 WeakPolarHBondContact O-CB 3.29Å; V1120-S1144 WeakPolarHBondContact CG2-O 3.47Å; V1120-S1144 PolarHBondContact N-O 3.24Å; Y1132-S1144 PolarHBondContact OH-OG 2.79Å; G1142-S1144 PolarHBondContact O-N 3.04Å; S1144-E1146 WeakPolarHBondContact CA-OE2 3.23Å; S1144-E1146 PolarHBondContact N-OE2 3.48Å; S1144-E1146 PolarHBondContact O-N 3.35Å
1145	C	93.6	Very high	90.3	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	59.6	29.5	-169.2	-52.7	0	0	0	0	113.9	N1121 C1136 T1141 G1142 K1147	N1121-C1145 PolarHBondContact ND2-O 3.21Å; C1136-C1145 WeakPolarHBondContact CA-SG 3.43Å; C1136-C1145 HydrophobicContact CB-CB 3.74Å; C1136-C1145 WeakPolarHBondContact CB-SG 3.08Å; C1136-C1145 PolarHBondContact N-SG 3.46Å; C1136-C1145 WeakPolarHBondContact SG-CA 3.29Å; C1136-C1145 WeakPolarHBondContact SG-CB 3.17Å; C1136-C1145 CovalentContact SG-SG 2.04Å; C1136-C1145 PolarHBondContact SG-SG 3.44Å; T1141-C1145 CarbonylContact O-C 3.03Å; T1141-C1145 VanDerWaalsContact O-C 3.24Å; T1141-C1145 WeakPolarHBondContact O-CA 3.06Å; G1142-C1145 PolarHBondContact O-N 3Å; G1142-C1145 VanDerWaalsContact O-N 3.13Å; C1145-K1147 VanDerWaalsContact C-N 3.34Å; C1145-K1147 PolarHBondContact O-N 3.48Å
1146	E	92.1	Very high	90.2	Very high	80 Å²	80	66.5 Å²	66.5	37%	0.374	36%	0.364	S	S	.	.			trans	-79.2	-9.4	-169.8	76	-66.2	161.5	0	0	115.1	V1120 T1141 G1142 Q1143 S1144	V1120-E1146 HydrophobicContact CG2-CB 3.98Å; T1141-E1146 PolarHBondContact O-N 3.46Å; G1142-E1146 VanDerWaalsContact C-OE2 3.31Å; G1142-E1146 WeakPolarHBondContact CA-OE1 3.1Å; G1142-E1146 WeakPolarHBondContact CA-OE2 3.49Å; Q1143-E1146 PolarHBondContact N-OE2 3.21Å; S1144-E1146 WeakPolarHBondContact CA-OE2 3.23Å; S1144-E1146 PolarHBondContact N-OE2 3.48Å; S1144-E1146 PolarHBondContact O-N 3.35Å
1147	K	89.8	Confident	90.3	Very high	116 Å²	116	65.6 Å²	65.6	50%	0.504	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.1	-175.7	-58.6	178.3	-179.9	98.1	0	111.6	Y1140 T1141 C1145	Y1140-K1147 CarbonylContact C-O 3.5Å; Y1140-K1147 WeakPolarHBondContact CA-O 3.34Å; T1141-K1147 HydrophobicContact CG2-CB 3.86Å; T1141-K1147 PolarHBondContact N-O 3.12Å; T1141-K1147 WeakPolarHBondContact O-CB 3.41Å; T1141-K1147 PolarHBondContact O-N 2.84Å; C1145-K1147 VanDerWaalsContact C-N 3.34Å; C1145-K1147 PolarHBondContact O-N 3.48Å
1148	D	88.9	Confident	90.3	Very high	83 Å²	83	68 Å²	68	44%	0.444	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	141	162.9	-158.9	53.9	0	0	0	108.7	N1165	D1148-N1165 PolarHBondContact OD2-ND2 2.97Å
1149	I	88.8	Confident	90.4	Very high	62 Å²	62	67 Å²	67	32%	0.318	36%	0.357	S	S	.	.			trans	-84.2	133.2	171.4	-63.9	173.3	0	0	0	108.3	G1139 T1141 E1151 N1165	G1139-I1149 PolarHBondContact O-N 3.16Å; T1141-I1149 HydrophobicContact CG2-CG1 3.89Å; I1149-E1151 WeakPolarHBondContact CB-OE1 3.03Å; I1149-E1151 VanDerWaalsContact CG2-OE1 3.25Å; I1149-E1151 WeakPolarHBondContact CG2-OE1 3.22Å; I1149-E1151 PolarHBondContact O-N 2.87Å; I1149-N1165 PolarHBondContact O-ND2 3.06Å
1150	D	89.3	Confident	90.5	Very high	75 Å²	75	73 Å²	73	40%	0.401	39%	0.388	S	S	.	.			trans	-91.5	92.4	170.6	-167.4	-23.6	0	0	0	110.1	C1152 E1153 N1165	D1150-C1152 PolarHBondContact O-N 3.46Å; D1150-C1152 VanDerWaalsContact O-N 3.14Å; D1150-C1152 VanDerWaalsContact OD1-CA 3.31Å; D1150-C1152 WeakPolarHBondContact OD1-CA 3.39Å; D1150-C1152 WeakPolarHBondContact OD1-CB 3.33Å; D1150-C1152 PolarHBondContact OD1-N 3.31Å; D1150-E1153 HydrophobicContact CB-CG 4.1Å; D1150-E1153 PolarHBondContact O-N 3.33Å; D1150-E1153 VanDerWaalsContact O-N 3.16Å; D1150-E1153 PolarHBondContact OD1-N 2.82Å; D1150-N1165 WeakPolarHBondContact CA-OD1 3.4Å; D1150-N1165 PolarHBondContact OD1-OD1 2.95Å
1151	E	90.2	Very high	90.4	Very high	35 Å²	35	71.2 Å²	71.2	16%	0.164	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.3	174.9	-80.9	85.4	-135.3	0	0	112.9	I1149 P1156 N1165 A1169 F1170	I1149-E1151 WeakPolarHBondContact CB-OE1 3.03Å; I1149-E1151 VanDerWaalsContact CG2-OE1 3.25Å; I1149-E1151 WeakPolarHBondContact CG2-OE1 3.22Å; I1149-E1151 PolarHBondContact O-N 2.87Å; E1151-P1156 WeakPolarHBondContact O-CD 3.27Å; E1151-N1165 PolarHBondContact N-OD1 3.3Å; E1151-A1169 PolarHBondContact OE2-N 3.27Å; E1151-F1170 HydrophobicContact CB-CB 4.03Å; E1151-F1170 HydrophobicContact CB-CD1 3.91Å; E1151-F1170 HydrophobicContact CB-CG 4.41Å; E1151-F1170 HydrophobicContact CG-CD1 4.4Å
1152	C	92.9	Very high	90.5	Very high	21 Å²	21	71.6 Å²	71.6	14%	0.142	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-17.3	176.9	-65.9	0	0	0	0	114.2	D1150 S1154 N1155 C1163 I1164 N1165	D1150-C1152 PolarHBondContact O-N 3.46Å; D1150-C1152 VanDerWaalsContact O-N 3.14Å; D1150-C1152 VanDerWaalsContact OD1-CA 3.31Å; D1150-C1152 WeakPolarHBondContact OD1-CA 3.39Å; D1150-C1152 WeakPolarHBondContact OD1-CB 3.33Å; D1150-C1152 PolarHBondContact OD1-N 3.31Å; C1152-S1154 PolarHBondContact O-N 3.3Å; C1152-N1155 WeakPolarHBondContact O-CA 3.02Å; C1152-N1155 PolarHBondContact O-N 2.76Å; C1152-C1163 WeakPolarHBondContact CA-SG 3.37Å; C1152-C1163 HydrophobicContact CB-CB 3.67Å; C1152-C1163 WeakPolarHBondContact CB-SG 3.37Å; C1152-C1163 VanDerWaalsContact SG-C 3.55Å; C1152-C1163 WeakPolarHBondContact SG-CB 3.27Å; C1152-C1163 CovalentContact SG-SG 2.03Å; C1152-C1163 PolarHBondContact SG-SG 2.94Å; C1152-I1164 PolarHBondContact SG-N 2.83Å; C1152-N1165 PolarHBondContact SG-N 2.92Å
1153	E	91.3	Very high	90.7	Very high	161 Å²	161	72.1 Å²	72.1	75%	0.752	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.8	171.9	-77.3	-168.2	161	0	0	111.7	D1150 N1155	D1150-E1153 HydrophobicContact CB-CG 4.1Å; D1150-E1153 PolarHBondContact O-N 3.33Å; D1150-E1153 VanDerWaalsContact O-N 3.16Å; D1150-E1153 PolarHBondContact OD1-N 2.82Å; E1153-N1155 PolarHBondContact O-N 3.01Å; E1153-N1155 VanDerWaalsContact O-N 3.16Å; E1153-N1155 PolarHBondContact O-ND2 3.15Å
1154	S	88.8	Confident	90.9	Very high	94 Å²	94	67.1 Å²	67.1	66%	0.657	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	0.1	175.7	-64.9	0	0	0	0	114.1	C1152	C1152-S1154 PolarHBondContact O-N 3.3Å
1155	N	89.8	Confident	90.8	Very high	133 Å²	133	67.5 Å²	67.5	71%	0.711	37%	0.365	S	S	*	.			trans	48.2	53.9	-178.9	-72.9	-98.4	0	0	0	114.2	C1152 E1153 C1157	C1152-N1155 WeakPolarHBondContact O-CA 3.02Å; C1152-N1155 PolarHBondContact O-N 2.76Å; E1153-N1155 PolarHBondContact O-N 3.01Å; E1153-N1155 VanDerWaalsContact O-N 3.16Å; E1153-N1155 PolarHBondContact O-ND2 3.15Å; N1155-C1157 VanDerWaalsContact C-N 3.27Å; N1155-C1157 PolarHBondContact O-N 2.87Å
1156	P	92.1	Very high	90.5	Very high	30 Å²	30	71.6 Å²	71.6	20%	0.195	38%	0.382	C	S	.	.			trans	-71.9	-13.1	-171	30.5	-37.3	0	0	0	115.1	E1151 F1170	E1151-P1156 WeakPolarHBondContact O-CD 3.27Å; P1156-F1170 HydrophobicContact CB-CD1 4.42Å; P1156-F1170 HydrophobicContact CB-CD2 4.14Å; P1156-F1170 HydrophobicContact CB-CE1 4.06Å; P1156-F1170 HydrophobicContact CB-CE2 3.77Å; P1156-F1170 HydrophobicContact CB-CG 4.46Å; P1156-F1170 HydrophobicContact CB-CZ 3.72Å; P1156-F1170 HydrophobicContact CG-CB 4.43Å; P1156-F1170 HydrophobicContact CG-CD1 4Å; P1156-F1170 HydrophobicContact CG-CD2 3.61Å; P1156-F1170 HydrophobicContact CG-CE1 4.15Å; P1156-F1170 HydrophobicContact CG-CE2 3.79Å; P1156-F1170 HydrophobicContact CG-CG 3.73Å; P1156-F1170 HydrophobicContact CG-CZ 4.05Å
1157	C	93.8	Very high	90.1	Very high	18 Å²	18	72.7 Å²	72.7	12%	0.122	39%	0.391	C	S	.	.			trans	-89.1	115.5	-176	-54.1	0	0	0	0	112.1	N1155 C1163 C1172	N1155-C1157 VanDerWaalsContact C-N 3.27Å; N1155-C1157 PolarHBondContact O-N 2.87Å; C1157-C1163 HydrophobicContact CB-CB 4.47Å; C1157-C1163 VanDerWaalsContact SG-CA 3.52Å; C1157-C1163 WeakPolarHBondContact SG-CB 3.18Å; C1157-C1163 VanDerWaalsContact SG-SG 3.65Å; C1157-C1172 WeakPolarHBondContact CA-SG 3.24Å; C1157-C1172 HydrophobicContact CB-CB 3.8Å; C1157-C1172 WeakPolarHBondContact CB-SG 3.5Å; C1157-C1172 WeakPolarHBondContact SG-CA 3.47Å; C1157-C1172 WeakPolarHBondContact SG-CB 3.48Å; C1157-C1172 CovalentContact SG-SG 2.03Å; C1157-C1172 PolarHBondContact SG-SG 2.66Å
1158	L	90.4	Very high	89.8	Confident	85 Å²	85	71.4 Å²	71.4	45%	0.445	39%	0.389	S	S	.	.			trans	-77.9	174.3	178.4	-54.6	-172.4	0	0	0	112.1	N1160 G1161 I1182 C1183 A1184	L1158-N1160 PolarHBondContact O-N 2.77Å; L1158-G1161 PolarHBondContact O-N 2.91Å; L1158-I1182 WeakPolarHBondContact CB-O 3.23Å; L1158-I1182 HydrophobicContact CD1-CD1 4.49Å; L1158-I1182 PolarHBondContact N-O 3.38Å; L1158-C1183 VanDerWaalsContact O-CB 3.32Å; L1158-C1183 WeakPolarHBondContact O-CB 3.27Å; L1158-A1184 HydrophobicContact CD1-CB 3.86Å
1159	N	88.4	Confident	89.6	Confident	73 Å²	73	69.5 Å²	69.5	39%	0.39	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	34.4	169.2	-65.9	-46.2	0	0	0	115.6	G1161 Y1178 C1183	N1159-G1161 VanDerWaalsContact C-N 3.29Å; N1159-G1161 PolarHBondContact O-N 2.03Å; N1159-Y1178 HydrophobicContact CB-CD1 4.17Å; N1159-Y1178 HydrophobicContact CB-CD2 3.76Å; N1159-Y1178 HydrophobicContact CB-CE1 4.13Å; N1159-Y1178 HydrophobicContact CB-CE2 3.69Å; N1159-Y1178 HydrophobicContact CB-CG 4Å; N1159-Y1178 VanDerWaalsContact ND2-CE1 3.32Å; N1159-Y1178 WeakPolarHBondContact ND2-CE1 3.32Å; N1159-C1183 PolarHBondContact ND2-O 2.98Å
1160	N	87.1	Confident	89.7	Confident	128 Å²	128	70.1 Å²	70.1	68%	0.684	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	33.9	-176	-59.4	-39.5	0	0	0	114.2	L1158 R1175	L1158-N1160 PolarHBondContact O-N 2.77Å; N1160-R1175 PolarHBondContact O-NE 3.48Å
1161	G	90	Very high	89.9	Confident	13 Å²	13	70 Å²	70	13%	0.134	38%	0.382	C	S	.	.			trans	-66.8	142.6	162.9	0	0	0	0	0	111.5	L1158 N1159 K1173	L1158-G1161 PolarHBondContact O-N 2.91Å; N1159-G1161 VanDerWaalsContact C-N 3.29Å; N1159-G1161 PolarHBondContact O-N 2.03Å; G1161-K1173 WeakPolarHBondContact CA-O 3.39Å
1162	T	92.6	Very high	90	Very high	79 Å²	79	68.6 Å²	68.6	49%	0.485	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.9	177.2	-59.8	0	0	0	0	109.8	K1173	T1162-K1173 PolarHBondContact N-O 2.95Å; T1162-K1173 PolarHBondContact O-N 3.38Å
1163	C	94	Very high	90	Very high	33 Å²	33	72.8 Å²	72.8	22%	0.223	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	145.8	174.4	-159.6	0	0	0	0	111.3	C1152 C1157	C1152-C1163 WeakPolarHBondContact CA-SG 3.37Å; C1152-C1163 HydrophobicContact CB-CB 3.67Å; C1152-C1163 WeakPolarHBondContact CB-SG 3.37Å; C1152-C1163 VanDerWaalsContact SG-C 3.55Å; C1152-C1163 WeakPolarHBondContact SG-CB 3.27Å; C1152-C1163 CovalentContact SG-SG 2.03Å; C1152-C1163 PolarHBondContact SG-SG 2.94Å; C1157-C1163 HydrophobicContact CB-CB 4.47Å; C1157-C1163 VanDerWaalsContact SG-CA 3.52Å; C1157-C1163 WeakPolarHBondContact SG-CB 3.18Å; C1157-C1163 VanDerWaalsContact SG-SG 3.65Å
1164	I	92.9	Very high	89.9	Confident	58 Å²	58	66.6 Å²	66.6	30%	0.297	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	123.4	172.1	-65	174.3	0	0	0	107.8	C1152 E1171 K1173	C1152-I1164 PolarHBondContact SG-N 2.83Å; I1164-E1171 HydrophobicContact CB-CB 4.43Å; I1164-E1171 PolarHBondContact N-O 3.49Å; I1164-E1171 PolarHBondContact O-N 2.04Å; I1164-K1173 HydrophobicContact CD1-CD 3.67Å; I1164-K1173 HydrophobicContact CD1-CG 4.27Å
1165	N	90.2	Very high	89.8	Confident	41 Å²	41	70 Å²	70	22%	0.219	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	147.3	176.8	-150.8	55.4	0	0	0	111.7	D1148 I1149 D1150 E1151 C1152	D1148-N1165 PolarHBondContact OD2-ND2 2.97Å; I1149-N1165 PolarHBondContact O-ND2 3.06Å; D1150-N1165 WeakPolarHBondContact CA-OD1 3.4Å; D1150-N1165 PolarHBondContact OD1-OD1 2.95Å; E1151-N1165 PolarHBondContact N-OD1 3.3Å; C1152-N1165 PolarHBondContact SG-N 2.92Å
1166	K	87.6	Confident	89.4	Confident	85 Å²	85	68.2 Å²	68.2	37%	0.37	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	167	171.8	-57.4	-67.9	-175	65.4	0	107.4	D1168 A1169 E1171	K1166-D1168 PolarHBondContact O-N 3.38Å; K1166-D1168 VanDerWaalsContact O-N 3.16Å; K1166-A1169 CarbonylContact C-O 3.46Å; K1166-A1169 VanDerWaalsContact CA-O 3.31Å; K1166-A1169 WeakPolarHBondContact CA-O 3.44Å; K1166-A1169 HydrophobicContact CB-CB 4.04Å; K1166-A1169 VanDerWaalsContact CB-O 3.24Å; K1166-A1169 WeakPolarHBondContact CB-O 3.44Å; K1166-A1169 PolarHBondContact N-O 3.13Å; K1166-A1169 PolarHBondContact O-N 3.31Å; K1166-E1171 WeakPolarHBondContact CE-OE2 3.02Å; K1166-E1171 IonicContact NZ-OE2 3.37Å; K1166-E1171 PolarHBondContact NZ-OE2 2.82Å
1167	L	84	Confident	88.6	Confident	104 Å²	104	69.4 Å²	69.4	55%	0.545	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	117	170	177.2	58.5	0	0	0	109.7	Y1140 A1169	Y1140-L1167 HydrophobicContact CD2-CD1 4.38Å; Y1140-L1167 HydrophobicContact CE1-CD1 4.11Å; Y1140-L1167 HydrophobicContact CE2-CD1 3.54Å; Y1140-L1167 VanDerWaalsContact OH-CD1 3.3Å; Y1140-L1167 WeakPolarHBondContact OH-CD1 3.4Å; L1167-A1169 PolarHBondContact O-N 3.39Å
1168	D	82	Confident	88.1	Confident	89 Å²	89	72.3 Å²	72.3	48%	0.476	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	28.8	-180	-166.1	42.4	0	0	0	114.2	P1138 G1139 K1166	P1138-D1168 VanDerWaalsContact C-OD1 3.28Å; P1138-D1168 WeakPolarHBondContact CB-OD1 3.29Å; P1138-D1168 VanDerWaalsContact CB-OD2 3.31Å; P1138-D1168 WeakPolarHBondContact CB-OD2 3.45Å; G1139-D1168 PolarHBondContact N-OD1 2.86Å; K1166-D1168 PolarHBondContact O-N 3.38Å; K1166-D1168 VanDerWaalsContact O-N 3.16Å
1169	A	85.9	Confident	87.8	Confident	43 Å²	43	71.7 Å²	71.7	36%	0.355	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	164.6	-176	0	0	0	0	0	113.6	E1151 K1166 L1167	E1151-A1169 PolarHBondContact OE2-N 3.27Å; K1166-A1169 CarbonylContact C-O 3.46Å; K1166-A1169 VanDerWaalsContact CA-O 3.31Å; K1166-A1169 WeakPolarHBondContact CA-O 3.44Å; K1166-A1169 HydrophobicContact CB-CB 4.04Å; K1166-A1169 VanDerWaalsContact CB-O 3.24Å; K1166-A1169 WeakPolarHBondContact CB-O 3.44Å; K1166-A1169 PolarHBondContact N-O 3.13Å; K1166-A1169 PolarHBondContact O-N 3.31Å; L1167-A1169 PolarHBondContact O-N 3.39Å
1170	F	91.1	Very high	87.6	Confident	74 Å²	74	72.2 Å²	72.2	33%	0.325	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.5	167.3	62	-88.1	0	0	0	111.8	E1151 P1156 I1182	E1151-F1170 HydrophobicContact CB-CB 4.03Å; E1151-F1170 HydrophobicContact CB-CD1 3.91Å; E1151-F1170 HydrophobicContact CB-CG 4.41Å; E1151-F1170 HydrophobicContact CG-CD1 4.4Å; P1156-F1170 HydrophobicContact CB-CD1 4.42Å; P1156-F1170 HydrophobicContact CB-CD2 4.14Å; P1156-F1170 HydrophobicContact CB-CE1 4.06Å; P1156-F1170 HydrophobicContact CB-CE2 3.77Å; P1156-F1170 HydrophobicContact CB-CG 4.46Å; P1156-F1170 HydrophobicContact CB-CZ 3.72Å; P1156-F1170 HydrophobicContact CG-CB 4.43Å; P1156-F1170 HydrophobicContact CG-CD1 4Å; P1156-F1170 HydrophobicContact CG-CD2 3.61Å; P1156-F1170 HydrophobicContact CG-CE1 4.15Å; P1156-F1170 HydrophobicContact CG-CE2 3.79Å; P1156-F1170 HydrophobicContact CG-CG 3.73Å; P1156-F1170 HydrophobicContact CG-CZ 4.05Å; F1170-I1182 HydrophobicContact CE2-CG2 3.93Å; F1170-I1182 HydrophobicContact CZ-CG2 3.98Å
1171	E	92.6	Very high	87.5	Confident	73 Å²	73	70.9 Å²	70.9	34%	0.341	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.1	173	-176.4	-169.7	129.5	0	0	110.5	I1164 K1166 K1173	I1164-E1171 HydrophobicContact CB-CB 4.43Å; I1164-E1171 PolarHBondContact N-O 3.49Å; I1164-E1171 PolarHBondContact O-N 2.04Å; K1166-E1171 WeakPolarHBondContact CE-OE2 3.02Å; K1166-E1171 IonicContact NZ-OE2 3.37Å; K1166-E1171 PolarHBondContact NZ-OE2 2.82Å; E1171-K1173 PolarHBondContact O-N 2.81Å; E1171-K1173 WeakPolarHBondContact OE1-CE 3.07Å; E1171-K1173 IonicContact OE1-NZ 3.22Å
1172	C	93.4	Very high	87.6	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.034	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	109.2	173.2	-64.2	0	0	0	0	112.3	C1157 C1174 P1181	C1157-C1172 WeakPolarHBondContact CA-SG 3.24Å; C1157-C1172 HydrophobicContact CB-CB 3.8Å; C1157-C1172 WeakPolarHBondContact CB-SG 3.5Å; C1157-C1172 WeakPolarHBondContact SG-CA 3.47Å; C1157-C1172 WeakPolarHBondContact SG-CB 3.48Å; C1157-C1172 CovalentContact SG-SG 2.03Å; C1157-C1172 PolarHBondContact SG-SG 2.66Å; C1172-C1174 PolarHBondContact O-N 3.05Å; C1172-C1174 VanDerWaalsContact O-N 3.13Å; C1172-P1181 VanDerWaalsContact CB-O 3.28Å; C1172-P1181 WeakPolarHBondContact CB-O 3.07Å; C1172-P1181 PolarHBondContact SG-O 2.88Å
1173	K	92.5	Very high	87.4	Confident	110 Å²	110	69.7 Å²	69.7	48%	0.478	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	92.2	168.9	-71	-175.4	-179	165	0	110.5	G1161 T1162 I1164 E1171	G1161-K1173 WeakPolarHBondContact CA-O 3.39Å; T1162-K1173 PolarHBondContact N-O 2.95Å; T1162-K1173 PolarHBondContact O-N 3.38Å; I1164-K1173 HydrophobicContact CD1-CD 3.67Å; I1164-K1173 HydrophobicContact CD1-CG 4.27Å; E1171-K1173 PolarHBondContact O-N 2.81Å; E1171-K1173 WeakPolarHBondContact OE1-CE 3.07Å; E1171-K1173 IonicContact OE1-NZ 3.22Å
1174	C	89.2	Confident	87.1	Confident	31 Å²	31	70.2 Å²	70.2	21%	0.209	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-69.7	148.1	-179.9	-51.8	0	0	0	0	112.7	C1172 Y1178 H1179 C1183	C1172-C1174 PolarHBondContact O-N 3.05Å; C1172-C1174 VanDerWaalsContact O-N 3.13Å; C1174-Y1178 WeakPolarHBondContact CB-O 2.83Å; C1174-H1179 PolarHBondContact SG-O 3.26Å; C1174-C1183 WeakPolarHBondContact CA-SG 3.18Å; C1174-C1183 HydrophobicContact CB-CB 3.8Å; C1174-C1183 WeakPolarHBondContact CB-SG 3.38Å; C1174-C1183 WeakPolarHBondContact SG-CA 3.07Å; C1174-C1183 WeakPolarHBondContact SG-CB 3.47Å; C1174-C1183 CovalentContact SG-SG 2.03Å; C1174-C1183 PolarHBondContact SG-SG 3.04Å
1175	R	86.9	Confident	86.4	Confident	164 Å²	164	73.7 Å²	73.7	62%	0.619	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-86.2	131.1	166.7	-62.3	-178.6	-177	-164.4	-1	108.3	N1160 Y1178	N1160-R1175 PolarHBondContact O-NE 3.48Å; R1175-Y1178 WeakPolarHBondContact O-CB 2.92Å; R1175-Y1178 WeakPolarHBondContact O-CD2 3.49Å; R1175-Y1178 PolarHBondContact O-N 2.68Å
1176	A	80.1	Confident	85.5	Confident	97 Å²	97	77.5 Å²	77.5	80%	0.802	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	136.2	172.3	0	0	0	0	0	110.1
1177	P	75.8	Confident	84.6	Confident	55 Å²	55	77.8 Å²	77.8	36%	0.357	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.9	23.6	14.4	39.4	-38.2	0	0	0	115.8	R1186 E1187	P1177-R1186 HydrophobicContact CB-CG 4.15Å; P1177-R1186 HydrophobicContact CG-CG 3.89Å; P1177-R1186 WeakPolarHBondContact O-CA 3.41Å; P1177-E1187 PolarHBondContact O-N 2.97Å
1178	Y	84.3	Confident	83.7	Confident	79 Å²	79	79.9 Å²	79.9	31%	0.31	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-91.2	148.3	177.3	-56.8	-75.8	0	0	0	112.4	N1159 C1174 R1175 C1183 E1185 R1186	N1159-Y1178 HydrophobicContact CB-CD1 4.17Å; N1159-Y1178 HydrophobicContact CB-CD2 3.76Å; N1159-Y1178 HydrophobicContact CB-CE1 4.13Å; N1159-Y1178 HydrophobicContact CB-CE2 3.69Å; N1159-Y1178 HydrophobicContact CB-CG 4Å; N1159-Y1178 VanDerWaalsContact ND2-CE1 3.32Å; N1159-Y1178 WeakPolarHBondContact ND2-CE1 3.32Å; C1174-Y1178 WeakPolarHBondContact CB-O 2.83Å; R1175-Y1178 WeakPolarHBondContact O-CB 2.92Å; R1175-Y1178 WeakPolarHBondContact O-CD2 3.49Å; R1175-Y1178 PolarHBondContact O-N 2.68Å; Y1178-C1183 WeakPolarHBondContact CD1-O 3.06Å; Y1178-E1185 WeakPolarHBondContact CA-O 3.46Å; Y1178-R1186 HydrophobicContact CD1-CB 4.15Å; Y1178-R1186 HydrophobicContact CE1-CB 4.05Å
1179	H	83.4	Confident	83.2	Confident	71 Å²	71	77 Å²	77	33%	0.329	40%	0.402	S	S	.	.			trans	-121.2	159.1	179.5	59.6	78.9	0	0	0	114	C1174 C1183 E1185	C1174-H1179 PolarHBondContact SG-O 3.26Å; H1179-C1183 VanDerWaalsContact O-CA 3.23Å; H1179-C1183 WeakPolarHBondContact O-CA 3.49Å; H1179-C1183 PolarHBondContact O-N 2.94Å; H1179-E1185 IonicContact CE1-OE2 2.72Å; H1179-E1185 PolarHBondContact CE1-OE2 3.11Å; H1179-E1185 PolarHBondContact N-O 3.45Å; H1179-E1185 IonicContact NE2-OE2 2.73Å
1180	P	84.8	Confident	82.8	Confident	84 Å²	84	75.7 Å²	75.7	55%	0.545	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	163.4	171.2	-23.1	35	0	0	0	112.3
1181	P	85.3	Confident	82.5	Confident	101 Å²	101	73.5 Å²	73.5	66%	0.656	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	cis	-81.8	-30.9	12.6	29.8	-35	0	0	0	115.2	C1172	C1172-P1181 VanDerWaalsContact CB-O 3.28Å; C1172-P1181 WeakPolarHBondContact CB-O 3.07Å; C1172-P1181 PolarHBondContact SG-O 2.88Å
1182	I	90.6	Very high	82	Confident	65 Å²	65	73.7 Å²	73.7	33%	0.333	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	11.3	-171.8	58.1	164.4	0	0	0	114.3	L1158 F1170 A1184	L1158-I1182 WeakPolarHBondContact CB-O 3.23Å; L1158-I1182 HydrophobicContact CD1-CD1 4.49Å; L1158-I1182 PolarHBondContact N-O 3.38Å; F1170-I1182 HydrophobicContact CE2-CG2 3.93Å; F1170-I1182 HydrophobicContact CZ-CG2 3.98Å; I1182-A1184 HydrophobicContact CD1-CB 3.84Å; I1182-A1184 HydrophobicContact CG1-CB 3.83Å; I1182-A1184 PolarHBondContact O-N 2.89Å; I1182-A1184 VanDerWaalsContact O-N 3.11Å
1183	C	89.2	Confident	81.4	Confident	1 Å²	1	78 Å²	78	1%	0.007	41%	0.413	C	S	.	.	S	Bend	trans	59.8	17	-177.1	-43.6	0	0	0	0	115.2	L1158 N1159 C1174 Y1178 H1179	L1158-C1183 VanDerWaalsContact O-CB 3.32Å; L1158-C1183 WeakPolarHBondContact O-CB 3.27Å; N1159-C1183 PolarHBondContact ND2-O 2.98Å; C1174-C1183 WeakPolarHBondContact CA-SG 3.18Å; C1174-C1183 HydrophobicContact CB-CB 3.8Å; C1174-C1183 WeakPolarHBondContact CB-SG 3.38Å; C1174-C1183 WeakPolarHBondContact SG-CA 3.07Å; C1174-C1183 WeakPolarHBondContact SG-CB 3.47Å; C1174-C1183 CovalentContact SG-SG 2.03Å; C1174-C1183 PolarHBondContact SG-SG 3.04Å; Y1178-C1183 WeakPolarHBondContact CD1-O 3.06Å; H1179-C1183 VanDerWaalsContact O-CA 3.23Å; H1179-C1183 WeakPolarHBondContact O-CA 3.49Å; H1179-C1183 PolarHBondContact O-N 2.94Å
1184	A	86.6	Confident	81	Confident	45 Å²	45	80.6 Å²	80.6	37%	0.372	43%	0.427	S	S	.	.			trans	-67.9	-43	179.1	0	0	0	0	0	112.3	L1158 I1182	L1158-A1184 HydrophobicContact CD1-CB 3.86Å; I1182-A1184 HydrophobicContact CD1-CB 3.84Å; I1182-A1184 HydrophobicContact CG1-CB 3.83Å; I1182-A1184 PolarHBondContact O-N 2.89Å; I1182-A1184 VanDerWaalsContact O-N 3.11Å
1185	E	78.2	Confident	81	Confident	131 Å²	131	80 Å²	80	61%	0.612	42%	0.423	S	S	*	.			trans	-95.5	138.3	-171	-68.9	178.6	174.8	0	0	111.5	Y1178 H1179	Y1178-E1185 WeakPolarHBondContact CA-O 3.46Å; H1179-E1185 IonicContact CE1-OE2 2.72Å; H1179-E1185 PolarHBondContact CE1-OE2 3.11Å; H1179-E1185 PolarHBondContact N-O 3.45Å; H1179-E1185 IonicContact NE2-OE2 2.73Å
1186	R	72.9	Confident	81.4	Confident	120 Å²	120	73 Å²	73	45%	0.453	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-92.6	134.9	170.3	172.6	176.5	-175.7	-83.3	9.4	107.9	P1177 Y1178 Q1188 D1192	P1177-R1186 HydrophobicContact CB-CG 4.15Å; P1177-R1186 HydrophobicContact CG-CG 3.89Å; P1177-R1186 WeakPolarHBondContact O-CA 3.41Å; Y1178-R1186 HydrophobicContact CD1-CB 4.15Å; Y1178-R1186 HydrophobicContact CE1-CB 4.05Å; R1186-Q1188 PolarHBondContact O-N 3.44Å; R1186-D1192 IonicContact NH1-OD1 2.65Å; R1186-D1192 IonicContact NH1-OD2 3.85Å; R1186-D1192 PolarHBondContact NH1-OD2 2.04Å; R1186-D1192 VanDerWaalsContact NH1-OD2 3.08Å
1187	E	67.1	Low	81.9	Confident	92 Å²	92	76.7 Å²	76.7	43%	0.43	39%	0.392	S	S	.	.			trans	-51.5	111.4	172.1	-168.9	-176.4	150.9	0	0	109.9	P1177 T1189 S1208	P1177-E1187 PolarHBondContact O-N 2.97Å; E1187-T1189 PolarHBondContact O-N 3.04Å; E1187-S1208 WeakPolarHBondContact OE1-CB 3.42Å; E1187-S1208 PolarHBondContact OE1-OG 3.21Å
1188	Q	66.4	Low	82.5	Confident	147 Å²	147	77.7 Å²	77.7	69%	0.687	40%	0.395	S	S	*	.			trans	-77.2	115.8	178.7	-70.2	-172.4	38.7	0	0	108.8	R1186	R1186-Q1188 PolarHBondContact O-N 3.44Å
1189	T	71.7	Confident	82.6	Confident	30 Å²	30	76.7 Å²	76.7	18%	0.184	41%	0.408	C	S	.	.			trans	-75.7	156.1	173.8	70.1	0	0	0	0	110.1	E1187 C1191 D1192 L1204 S1208	E1187-T1189 PolarHBondContact O-N 3.04Å; T1189-C1191 PolarHBondContact O-N 2.78Å; T1189-D1192 WeakPolarHBondContact CB-OD2 3.16Å; T1189-D1192 PolarHBondContact N-OD2 2.86Å; T1189-D1192 WeakPolarHBondContact O-CB 3.49Å; T1189-D1192 PolarHBondContact O-N 3.06Å; T1189-D1192 VanDerWaalsContact OG1-CG 3.26Å; T1189-D1192 PolarHBondContact OG1-OD2 3.27Å; T1189-L1204 HydrophobicContact CG2-CD1 4.09Å; T1189-S1208 CarbonylContact C-O 3.57Å; T1189-S1208 WeakPolarHBondContact CA-O 2.97Å
1190	A	76.5	Confident	83	Confident	14 Å²	14	73.8 Å²	73.8	12%	0.116	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12	-179.8	0	0	0	0	0	114.4	V1193 P1195 L1204 S1208 D1209 Y1211	A1190-V1193 WeakPolarHBondContact O-CG2 3.48Å; A1190-P1195 WeakPolarHBondContact O-CD 3.32Å; A1190-P1195 WeakPolarHBondContact O-CG 3.43Å; A1190-L1204 HydrophobicContact CB-CD2 4.08Å; A1190-S1208 WeakPolarHBondContact CB-O 3.43Å; A1190-S1208 PolarHBondContact N-O 2.68Å; A1190-D1209 VanDerWaalsContact CB-C 3.46Å; A1190-D1209 WeakPolarHBondContact CB-O 3.22Å; A1190-Y1211 HydrophobicContact CB-CD1 3.87Å; A1190-Y1211 HydrophobicContact CB-CG 4.38Å
1191	C	84.5	Confident	83.4	Confident	29 Å²	29	74 Å²	74	20%	0.196	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-18.1	170.1	-70.6	0	0	0	0	114.4	T1189 V1193 Q1194 C1202 L1204	T1189-C1191 PolarHBondContact O-N 2.78Å; C1191-V1193 VanDerWaalsContact C-N 3.25Å; C1191-V1193 PolarHBondContact O-N 3.12Å; C1191-Q1194 PolarHBondContact O-N 3.4Å; C1191-Q1194 VanDerWaalsContact O-N 3.07Å; C1191-C1202 WeakPolarHBondContact CA-SG 3.26Å; C1191-C1202 HydrophobicContact CB-CB 3.77Å; C1191-C1202 WeakPolarHBondContact CB-SG 3.22Å; C1191-C1202 VanDerWaalsContact SG-C 3.57Å; C1191-C1202 WeakPolarHBondContact SG-CB 3.22Å; C1191-C1202 CovalentContact SG-SG 2.04Å; C1191-C1202 PolarHBondContact SG-SG 3.45Å; C1191-L1204 HydrophobicContact CB-CD2 4.23Å
1192	D	82.5	Confident	83.7	Confident	77 Å²	77	70.8 Å²	70.8	41%	0.412	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.7	177.3	-68.4	-52	0	0	0	111	R1186 T1189 Q1194	R1186-D1192 IonicContact NH1-OD1 2.65Å; R1186-D1192 IonicContact NH1-OD2 3.85Å; R1186-D1192 PolarHBondContact NH1-OD2 2.04Å; R1186-D1192 VanDerWaalsContact NH1-OD2 3.08Å; T1189-D1192 WeakPolarHBondContact CB-OD2 3.16Å; T1189-D1192 PolarHBondContact N-OD2 2.86Å; T1189-D1192 WeakPolarHBondContact O-CB 3.49Å; T1189-D1192 PolarHBondContact O-N 3.06Å; T1189-D1192 VanDerWaalsContact OG1-CG 3.26Å; T1189-D1192 PolarHBondContact OG1-OD2 3.27Å; D1192-Q1194 PolarHBondContact O-N 2.85Å
1193	V	81.1	Confident	83.7	Confident	95 Å²	95	72.6 Å²	72.6	58%	0.576	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	8	172.5	-60.2	0	0	0	0	114.6	A1190 C1191	A1190-V1193 WeakPolarHBondContact O-CG2 3.48Å; C1191-V1193 VanDerWaalsContact C-N 3.25Å; C1191-V1193 PolarHBondContact O-N 3.12Å
1194	Q	84.8	Confident	83.5	Confident	165 Å²	165	76.4 Å²	76.4	77%	0.771	40%	0.402	S	S	*	.			trans	43.9	58	178.4	-58.9	-171.6	3.8	0	0	114.6	C1191 D1192 C1196	C1191-Q1194 PolarHBondContact O-N 3.4Å; C1191-Q1194 VanDerWaalsContact O-N 3.07Å; D1192-Q1194 PolarHBondContact O-N 2.85Å; Q1194-C1196 PolarHBondContact O-N 2.89Å; Q1194-C1196 VanDerWaalsContact O-N 3.14Å
1195	P	89.4	Confident	83.3	Confident	19 Å²	19	78.9 Å²	78.9	12%	0.123	41%	0.408	C	S	.	.			trans	-69.7	-15.3	-172.2	32.3	-39.1	0	0	0	113.5	A1190 R1197 Y1211 S1223	A1190-P1195 WeakPolarHBondContact O-CD 3.32Å; A1190-P1195 WeakPolarHBondContact O-CG 3.43Å; P1195-R1197 PolarHBondContact O-N 3.26Å; P1195-Y1211 HydrophobicContact CB-CD2 4.07Å; P1195-Y1211 HydrophobicContact CB-CE1 4.09Å; P1195-Y1211 HydrophobicContact CB-CE2 3.55Å; P1195-Y1211 HydrophobicContact CG-CD1 4.22Å; P1195-Y1211 HydrophobicContact CG-CD2 3.52Å; P1195-Y1211 HydrophobicContact CG-CE1 4.23Å; P1195-Y1211 HydrophobicContact CG-CE2 3.56Å; P1195-Y1211 HydrophobicContact CG-CG 3.86Å; P1195-S1223 WeakPolarHBondContact O-CB 3.46Å; P1195-S1223 PolarHBondContact O-OG 2.72Å
1196	C	93.6	Very high	83.1	Confident	17 Å²	17	77 Å²	77	12%	0.115	42%	0.424	C	S	.	.			trans	-89.1	105	-178	-52.2	0	0	0	0	110.9	Q1194 G1200 C1202 C1213	Q1194-C1196 PolarHBondContact O-N 2.89Å; Q1194-C1196 VanDerWaalsContact O-N 3.14Å; C1196-G1200 WeakPolarHBondContact CB-O 3.4Å; C1196-C1202 HydrophobicContact CB-CB 4.48Å; C1196-C1202 WeakPolarHBondContact SG-CA 3.04Å; C1196-C1202 WeakPolarHBondContact SG-CB 3.27Å; C1196-C1213 WeakPolarHBondContact CA-SG 3.42Å; C1196-C1213 HydrophobicContact CB-CB 3.72Å; C1196-C1213 WeakPolarHBondContact CB-SG 3.2Å; C1196-C1213 WeakPolarHBondContact SG-CA 3.45Å; C1196-C1213 WeakPolarHBondContact SG-CB 3.41Å; C1196-C1213 CovalentContact SG-SG 2.03Å; C1196-C1213 PolarHBondContact SG-SG 3.25Å
1197	R	90.5	Very high	83	Confident	173 Å²	173	73.9 Å²	73.9	65%	0.653	42%	0.421	S	S	*	.			trans	-77	173.3	178.5	-60.4	-175.2	173.2	-119.8	-8.1	111.3	P1195 G1199 G1200 S1223 C1224	P1195-R1197 PolarHBondContact O-N 3.26Å; R1197-G1199 PolarHBondContact O-N 2.67Å; R1197-G1199 VanDerWaalsContact O-N 3.07Å; R1197-G1200 PolarHBondContact O-N 2.86Å; R1197-S1223 WeakPolarHBondContact CB-O 3.43Å; R1197-S1223 PolarHBondContact N-O 2.85Å; R1197-C1224 WeakPolarHBondContact O-CB 3.22Å
1198	N	89.4	Confident	83.1	Confident	77 Å²	77	71.2 Å²	71.2	41%	0.412	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	32.8	171.1	-57.8	-40.4	0	0	0	114.5	G1200 F1219 C1224	N1198-G1200 VanDerWaalsContact C-N 3.34Å; N1198-G1200 PolarHBondContact O-N 3.31Å; N1198-F1219 HydrophobicContact CB-CD1 3.59Å; N1198-F1219 HydrophobicContact CB-CD2 3.92Å; N1198-F1219 HydrophobicContact CB-CE1 3.62Å; N1198-F1219 HydrophobicContact CB-CE2 3.95Å; N1198-F1219 HydrophobicContact CB-CG 3.75Å; N1198-F1219 HydrophobicContact CB-CZ 3.8Å; N1198-F1219 VanDerWaalsContact CG-CE1 3.43Å; N1198-F1219 WeakPolarHBondContact ND2-CD1 3.33Å; N1198-F1219 WeakPolarHBondContact ND2-CE1 3.15Å; N1198-C1224 PolarHBondContact ND2-O 3.36Å
1199	G	86.7	Confident	83.4	Confident	57 Å²	57	70.3 Å²	70.3	59%	0.588	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	9.4	180	0	0	0	0	0	115.4	R1197 V1216	R1197-G1199 PolarHBondContact O-N 2.67Å; R1197-G1199 VanDerWaalsContact O-N 3.07Å; G1199-V1216 VanDerWaalsContact O-CG2 3.3Å; G1199-V1216 WeakPolarHBondContact O-CG2 3.22Å
1200	G	90.9	Very high	83.8	Confident	11 Å²	11	70.9 Å²	70.9	11%	0.113	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-60.9	140.6	175.4	0	0	0	0	0	112.4	C1196 R1197 N1198 D1214	C1196-G1200 WeakPolarHBondContact CB-O 3.4Å; R1197-G1200 PolarHBondContact O-N 2.86Å; N1198-G1200 VanDerWaalsContact C-N 3.34Å; N1198-G1200 PolarHBondContact O-N 3.31Å; G1200-D1214 CarbonylContact C-O 3.34Å; G1200-D1214 VanDerWaalsContact CA-O 3.27Å; G1200-D1214 WeakPolarHBondContact CA-O 3.25Å
1201	T	92.8	Very high	84.3	Confident	87 Å²	87	72.4 Å²	72.4	53%	0.534	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.9	-179.1	-58.5	0	0	0	0	110.5	D1214	T1201-D1214 PolarHBondContact N-O 3.21Å; T1201-D1214 PolarHBondContact O-N 2.94Å
1202	C	91.9	Very high	84.6	Confident	34 Å²	34	73.1 Å²	73.1	23%	0.23	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.4	177.2	-165.4	0	0	0	0	112.1	C1191 C1196	C1191-C1202 WeakPolarHBondContact CA-SG 3.26Å; C1191-C1202 HydrophobicContact CB-CB 3.77Å; C1191-C1202 WeakPolarHBondContact CB-SG 3.22Å; C1191-C1202 VanDerWaalsContact SG-C 3.57Å; C1191-C1202 WeakPolarHBondContact SG-CB 3.22Å; C1191-C1202 CovalentContact SG-SG 2.04Å; C1191-C1202 PolarHBondContact SG-SG 3.45Å; C1196-C1202 HydrophobicContact CB-CB 4.48Å; C1196-C1202 WeakPolarHBondContact SG-CA 3.04Å; C1196-C1202 WeakPolarHBondContact SG-CB 3.27Å
1203	K	90.3	Very high	85.1	Confident	104 Å²	104	70.2 Å²	70.2	45%	0.452	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.9	172.2	-68.8	172.6	173.2	171.4	0	109.7	Y1211 T1212 D1214	K1203-Y1211 CarbonylContact O-C 3.29Å; K1203-Y1211 VanDerWaalsContact O-CA 3.3Å; K1203-Y1211 WeakPolarHBondContact O-CA 3.17Å; K1203-T1212 HydrophobicContact CB-CG2 3.87Å; K1203-T1212 PolarHBondContact N-O 2.02Å; K1203-T1212 PolarHBondContact O-N 2.92Å; K1203-D1214 WeakPolarHBondContact CE-OD2 3.05Å; K1203-D1214 IonicContact NZ-OD2 3.64Å; K1203-D1214 PolarHBondContact NZ-OD2 3.37Å
1204	L	85.6	Confident	85.7	Confident	81 Å²	81	69.2 Å²	69.2	42%	0.424	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	145.7	173.1	-61.4	173.7	0	0	0	111.1	T1189 A1190 C1191 S1210	T1189-L1204 HydrophobicContact CG2-CD1 4.09Å; A1190-L1204 HydrophobicContact CB-CD2 4.08Å; C1191-L1204 HydrophobicContact CB-CD2 4.23Å; L1204-S1210 CarbonylContact C-O 3.47Å; L1204-S1210 VanDerWaalsContact CA-O 3.29Å; L1204-S1210 WeakPolarHBondContact CA-O 3.02Å
1205	I	82.8	Confident	86	Confident	96 Å²	96	63.6 Å²	63.6	49%	0.492	38%	0.379	S	S	.	.			trans	-128.8	105.4	175.1	-59.4	-174.3	0	0	0	109.9	S1207 S1210 T1212	I1205-S1207 VanDerWaalsContact C-N 3.29Å; I1205-S1207 PolarHBondContact O-N 3.36Å; I1205-S1207 VanDerWaalsContact O-N 3.07Å; I1205-S1210 PolarHBondContact N-O 3.23Å; I1205-S1210 WeakPolarHBondContact O-CB 3.04Å; I1205-S1210 PolarHBondContact O-OG 3.31Å; I1205-T1212 HydrophobicContact CD1-CG2 3.62Å; I1205-T1212 HydrophobicContact CG1-CG2 3.99Å
1206	G	74.6	Confident	86.1	Confident	92 Å²	92	66.1 Å²	66.1	95%	0.948	40%	0.395	S	S	*	.	S	Bend	trans	84	-42	165.4	0	0	0	0	0	116.1
1207	S	69.6	Low	85.9	Confident	55 Å²	55	72.1 Å²	72.1	39%	0.385	43%	0.425	S	S	.	.	S	Bend	trans	-136.2	172.9	175.1	74.3	0	0	0	0	112.1	I1205 D1209	I1205-S1207 VanDerWaalsContact C-N 3.29Å; I1205-S1207 PolarHBondContact O-N 3.36Å; I1205-S1207 VanDerWaalsContact O-N 3.07Å; S1207-D1209 PolarHBondContact O-N 3.47Å; S1207-D1209 PolarHBondContact OG-N 3.04Å; S1207-D1209 PolarHBondContact OG-OD2 2.91Å
1208	S	69.2	Low	85.6	Confident	36 Å²	36	64.1 Å²	64.1	25%	0.252	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.8	172.2	-36.8	0	0	0	0	112.2	E1187 T1189 A1190	E1187-S1208 WeakPolarHBondContact OE1-CB 3.42Å; E1187-S1208 PolarHBondContact OE1-OG 3.21Å; T1189-S1208 CarbonylContact C-O 3.57Å; T1189-S1208 WeakPolarHBondContact CA-O 2.97Å; A1190-S1208 WeakPolarHBondContact CB-O 3.43Å; A1190-S1208 PolarHBondContact N-O 2.68Å
1209	D	72.7	Confident	85.7	Confident	127 Å²	127	63.4 Å²	63.4	68%	0.679	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.3	-170	-28.5	-82.2	0	0	0	114.2	A1190 S1207	A1190-D1209 VanDerWaalsContact CB-C 3.46Å; A1190-D1209 WeakPolarHBondContact CB-O 3.22Å; S1207-D1209 PolarHBondContact O-N 3.47Å; S1207-D1209 PolarHBondContact OG-N 3.04Å; S1207-D1209 PolarHBondContact OG-OD2 2.91Å
1210	S	79.8	Confident	85.8	Confident	43 Å²	43	63.9 Å²	63.9	30%	0.301	38%	0.381	S	S	.	.			trans	-117.3	127	-165.1	166	0	0	0	0	111.3	L1204 I1205	L1204-S1210 CarbonylContact C-O 3.47Å; L1204-S1210 VanDerWaalsContact CA-O 3.29Å; L1204-S1210 WeakPolarHBondContact CA-O 3.02Å; I1205-S1210 PolarHBondContact N-O 3.23Å; I1205-S1210 WeakPolarHBondContact O-CB 3.04Å; I1205-S1210 PolarHBondContact O-OG 3.31Å
1211	Y	87.2	Confident	85.7	Confident	46 Å²	46	65 Å²	65	18%	0.18	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	164.6	-174.6	74.2	-84.7	0	0	0	113.9	A1190 P1195 K1203 Y1222 S1223	A1190-Y1211 HydrophobicContact CB-CD1 3.87Å; A1190-Y1211 HydrophobicContact CB-CG 4.38Å; P1195-Y1211 HydrophobicContact CB-CD2 4.07Å; P1195-Y1211 HydrophobicContact CB-CE1 4.09Å; P1195-Y1211 HydrophobicContact CB-CE2 3.55Å; P1195-Y1211 HydrophobicContact CG-CD1 4.22Å; P1195-Y1211 HydrophobicContact CG-CD2 3.52Å; P1195-Y1211 HydrophobicContact CG-CE1 4.23Å; P1195-Y1211 HydrophobicContact CG-CE2 3.56Å; P1195-Y1211 HydrophobicContact CG-CG 3.86Å; K1203-Y1211 CarbonylContact O-C 3.29Å; K1203-Y1211 VanDerWaalsContact O-CA 3.3Å; K1203-Y1211 WeakPolarHBondContact O-CA 3.17Å; Y1211-Y1222 AromaticContact CE1-CE1 3.97Å; Y1211-Y1222 HydrophobicContact CE1-CE1 3.97Å; Y1211-Y1222 HydrophobicContact CE2-CD1 4.33Å; Y1211-Y1222 AromaticContact CE2-CE1 3.84Å; Y1211-Y1222 HydrophobicContact CE2-CE1 3.84Å; Y1211-Y1222 AromaticContact CZ-CE1 3.45Å; Y1211-Y1222 VanDerWaalsContact CZ-CE1 3.45Å; Y1211-Y1222 AromaticContact CZ-CZ 4Å; Y1211-Y1222 PolarHBondContact O-OH 2.61Å; Y1211-Y1222 WeakPolarHBondContact OH-CE1 2.99Å; Y1211-S1223 PolarHBondContact OH-OG 2.88Å
1212	T	91.4	Very high	85.5	Confident	44 Å²	44	67.2 Å²	67.2	27%	0.27	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.9	163.1	-170.1	0	0	0	0	109.9	K1203 I1205	K1203-T1212 HydrophobicContact CB-CG2 3.87Å; K1203-T1212 PolarHBondContact N-O 2.02Å; K1203-T1212 PolarHBondContact O-N 2.92Å; I1205-T1212 HydrophobicContact CD1-CG2 3.62Å; I1205-T1212 HydrophobicContact CG1-CG2 3.99Å
1213	C	92.5	Very high	85.4	Confident	15 Å²	15	66.9 Å²	66.9	10%	0.101	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.6	176	-62.2	0	0	0	0	111.3	C1196 C1215 Y1222 C1224	C1196-C1213 WeakPolarHBondContact CA-SG 3.42Å; C1196-C1213 HydrophobicContact CB-CB 3.72Å; C1196-C1213 WeakPolarHBondContact CB-SG 3.2Å; C1196-C1213 WeakPolarHBondContact SG-CA 3.45Å; C1196-C1213 WeakPolarHBondContact SG-CB 3.41Å; C1196-C1213 CovalentContact SG-SG 2.03Å; C1196-C1213 PolarHBondContact SG-SG 3.25Å; C1213-C1215 PolarHBondContact O-N 3.15Å; C1213-Y1222 PolarHBondContact SG-O 2.82Å; C1213-Y1222 VanDerWaalsContact SG-O 3.37Å; C1213-C1224 WeakPolarHBondContact CB-SG 2.98Å
1214	D	93.4	Very high	85.5	Confident	74 Å²	74	62 Å²	62	40%	0.396	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	103.6	166.3	-71.8	-9.9	0	0	0	108.4	G1200 T1201 K1203	G1200-D1214 CarbonylContact C-O 3.34Å; G1200-D1214 VanDerWaalsContact CA-O 3.27Å; G1200-D1214 WeakPolarHBondContact CA-O 3.25Å; T1201-D1214 PolarHBondContact N-O 3.21Å; T1201-D1214 PolarHBondContact O-N 2.94Å; K1203-D1214 WeakPolarHBondContact CE-OD2 3.05Å; K1203-D1214 IonicContact NZ-OD2 3.64Å; K1203-D1214 PolarHBondContact NZ-OD2 3.37Å
1215	C	92.3	Very high	85.9	Confident	47 Å²	47	61.5 Å²	61.5	32%	0.318	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-77.3	140.5	-175.3	-55	0	0	0	0	113.4	C1213 F1219 C1224	C1213-C1215 PolarHBondContact O-N 3.15Å; C1215-F1219 HydrophobicContact CB-CB 4.38Å; C1215-C1224 WeakPolarHBondContact CA-SG 3.38Å; C1215-C1224 HydrophobicContact CB-CB 3.79Å; C1215-C1224 WeakPolarHBondContact CB-SG 3.41Å; C1215-C1224 WeakPolarHBondContact SG-CA 3.48Å; C1215-C1224 WeakPolarHBondContact SG-CB 3.11Å; C1215-C1224 CovalentContact SG-SG 2.04Å; C1215-C1224 PolarHBondContact SG-SG 3.03Å
1216	V	90	Very high	86.2	Confident	73 Å²	73	62.8 Å²	62.8	44%	0.442	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-63.7	146.7	170.7	-177.6	0	0	0	0	109.9	G1199 G1218 F1219	G1199-V1216 VanDerWaalsContact O-CG2 3.3Å; G1199-V1216 WeakPolarHBondContact O-CG2 3.22Å; V1216-G1218 PolarHBondContact O-N 3.36Å; V1216-F1219 HydrophobicContact CB-CD2 4.49Å; V1216-F1219 PolarHBondContact O-N 3.35Å
1217	D	89.4	Confident	86.7	Confident	143 Å²	143	60.3 Å²	60.3	77%	0.765	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	128.8	-179.1	-114.9	-33.8	0	0	0	112	K1228	D1217-K1228 IonicContact OD1-NZ 2.78Å; D1217-K1228 PolarHBondContact OD1-NZ 3.13Å
1218	G	85.6	Confident	87.3	Confident	5 Å²	5	62.5 Å²	62.5	5%	0.052	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	-8.6	-166.9	0	0	0	0	0	114.5	V1216 S1227 K1228	V1216-G1218 PolarHBondContact O-N 3.36Å; G1218-S1227 CarbonylContact O-C 3.56Å; G1218-S1227 VanDerWaalsContact O-CA 3.31Å; G1218-S1227 WeakPolarHBondContact O-CA 3.31Å; G1218-S1227 PolarHBondContact O-OG 2.84Å; G1218-S1227 VanDerWaalsContact O-OG 3.09Å; G1218-K1228 PolarHBondContact O-N 2.9Å
1219	F	91.3	Very high	87.5	Confident	61 Å²	61	69.7 Å²	69.7	27%	0.268	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.1	175.6	-63	-83	0	0	0	113.7	N1198 C1215 V1216 C1224 F1226 K1228	N1198-F1219 HydrophobicContact CB-CD1 3.59Å; N1198-F1219 HydrophobicContact CB-CD2 3.92Å; N1198-F1219 HydrophobicContact CB-CE1 3.62Å; N1198-F1219 HydrophobicContact CB-CE2 3.95Å; N1198-F1219 HydrophobicContact CB-CG 3.75Å; N1198-F1219 HydrophobicContact CB-CZ 3.8Å; N1198-F1219 VanDerWaalsContact CG-CE1 3.43Å; N1198-F1219 WeakPolarHBondContact ND2-CD1 3.33Å; N1198-F1219 WeakPolarHBondContact ND2-CE1 3.15Å; C1215-F1219 HydrophobicContact CB-CB 4.38Å; V1216-F1219 HydrophobicContact CB-CD2 4.49Å; V1216-F1219 PolarHBondContact O-N 3.35Å; F1219-C1224 HydrophobicContact CB-CB 4.43Å; F1219-F1226 CarbonylContact C-O 3.31Å; F1219-F1226 VanDerWaalsContact CA-O 3.25Å; F1219-F1226 WeakPolarHBondContact CA-O 3.16Å; F1219-F1226 WeakPolarHBondContact CD1-O 3.44Å; F1219-K1228 VanDerWaalsContact O-CE 3.25Å; F1219-K1228 WeakPolarHBondContact O-CE 3.45Å
1220	V	89.1	Confident	86.6	Confident	67 Å²	67	76.1 Å²	76.1	41%	0.406	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	170.5	177.2	-70.6	0	0	0	0	110.2	C1224 E1225 F1226 K1228	V1220-C1224 CarbonylContact O-C 3.51Å; V1220-E1225 PolarHBondContact O-N 2.87Å; V1220-F1226 HydrophobicContact CG2-CB 4.1Å; V1220-F1226 PolarHBondContact N-O 3.42Å; V1220-F1226 PolarHBondContact O-N 2.04Å; V1220-F1226 VanDerWaalsContact O-O 3.1Å; V1220-K1228 HydrophobicContact CG1-CD 4.33Å; V1220-K1228 HydrophobicContact CG1-CG 3.82Å; V1220-K1228 HydrophobicContact CG2-CG 4.38Å
1221	G	88.5	Confident	87	Confident	36 Å²	36	77.8 Å²	77.8	37%	0.371	39%	0.388	S	S	.	.	S	Bend	trans	117.6	174.7	-173.1	0	0	0	0	0	111.1	E1225	G1221-E1225 WeakPolarHBondContact CA-OE1 3.28Å; G1221-E1225 VanDerWaalsContact CA-OE2 3.31Å; G1221-E1225 WeakPolarHBondContact CA-OE2 3.05Å
1222	Y	88.4	Confident	87	Confident	133 Å²	133	79.4 Å²	79.4	52%	0.522	40%	0.398	S	S	.	.	S	Bend	trans	-80.1	-28	178.5	-178.2	-118.3	0	0	0	112	Y1211 C1213 E1225	Y1211-Y1222 AromaticContact CE1-CE1 3.97Å; Y1211-Y1222 HydrophobicContact CE1-CE1 3.97Å; Y1211-Y1222 HydrophobicContact CE2-CD1 4.33Å; Y1211-Y1222 AromaticContact CE2-CE1 3.84Å; Y1211-Y1222 HydrophobicContact CE2-CE1 3.84Å; Y1211-Y1222 AromaticContact CZ-CE1 3.45Å; Y1211-Y1222 VanDerWaalsContact CZ-CE1 3.45Å; Y1211-Y1222 AromaticContact CZ-CZ 4Å; Y1211-Y1222 PolarHBondContact O-OH 2.61Å; Y1211-Y1222 WeakPolarHBondContact OH-CE1 2.99Å; C1213-Y1222 PolarHBondContact SG-O 2.82Å; C1213-Y1222 VanDerWaalsContact SG-O 3.37Å; Y1222-E1225 PolarHBondContact N-OE1 3.12Å; Y1222-E1225 PolarHBondContact N-OE2 3.39Å; Y1222-E1225 VanDerWaalsContact N-OE2 3.11Å
1223	S	90.5	Very high	86.7	Confident	26 Å²	26	81.4 Å²	81.4	18%	0.182	41%	0.406	C	S	.	.	S	Bend	trans	-111	18.2	176	-61.9	0	0	0	0	111.5	P1195 R1197 Y1211 E1225	P1195-S1223 WeakPolarHBondContact O-CB 3.46Å; P1195-S1223 PolarHBondContact O-OG 2.72Å; R1197-S1223 WeakPolarHBondContact CB-O 3.43Å; R1197-S1223 PolarHBondContact N-O 2.85Å; Y1211-S1223 PolarHBondContact OH-OG 2.88Å; S1223-E1225 WeakPolarHBondContact CA-OE2 3.05Å; S1223-E1225 WeakPolarHBondContact CB-OE2 3.48Å; S1223-E1225 PolarHBondContact N-OE2 2.93Å; S1223-E1225 PolarHBondContact O-N 3.39Å
1224	C	92.4	Very high	86.4	Confident	1 Å²	1	85.3 Å²	85.3	1%	0.007	42%	0.423	C	S	.	.	S	Bend	trans	54.8	29.3	-173.6	-52.2	0	0	0	0	114.7	R1197 N1198 C1213 C1215 F1219 V1220	R1197-C1224 WeakPolarHBondContact O-CB 3.22Å; N1198-C1224 PolarHBondContact ND2-O 3.36Å; C1213-C1224 WeakPolarHBondContact CB-SG 2.98Å; C1215-C1224 WeakPolarHBondContact CA-SG 3.38Å; C1215-C1224 HydrophobicContact CB-CB 3.79Å; C1215-C1224 WeakPolarHBondContact CB-SG 3.41Å; C1215-C1224 WeakPolarHBondContact SG-CA 3.48Å; C1215-C1224 WeakPolarHBondContact SG-CB 3.11Å; C1215-C1224 CovalentContact SG-SG 2.04Å; C1215-C1224 PolarHBondContact SG-SG 3.03Å; F1219-C1224 HydrophobicContact CB-CB 4.43Å; V1220-C1224 CarbonylContact O-C 3.51Å
1225	E	92.6	Very high	85.9	Confident	71 Å²	71	86 Å²	86	33%	0.332	43%	0.425	S	S	.	.			trans	-76.9	-21	-167.3	67.4	-79.7	-170.8	0	0	115	V1220 G1221 Y1222 S1223	V1220-E1225 PolarHBondContact O-N 2.87Å; G1221-E1225 WeakPolarHBondContact CA-OE1 3.28Å; G1221-E1225 VanDerWaalsContact CA-OE2 3.31Å; G1221-E1225 WeakPolarHBondContact CA-OE2 3.05Å; Y1222-E1225 PolarHBondContact N-OE1 3.12Å; Y1222-E1225 PolarHBondContact N-OE2 3.39Å; Y1222-E1225 VanDerWaalsContact N-OE2 3.11Å; S1223-E1225 WeakPolarHBondContact CA-OE2 3.05Å; S1223-E1225 WeakPolarHBondContact CB-OE2 3.48Å; S1223-E1225 PolarHBondContact N-OE2 2.93Å; S1223-E1225 PolarHBondContact O-N 3.39Å
1226	F	89.6	Confident	85.5	Confident	124 Å²	124	88.6 Å²	88.6	54%	0.544	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.6	-178.2	-53.4	-68	0	0	0	111.9	F1219 V1220	F1219-F1226 CarbonylContact C-O 3.31Å; F1219-F1226 VanDerWaalsContact CA-O 3.25Å; F1219-F1226 WeakPolarHBondContact CA-O 3.16Å; F1219-F1226 WeakPolarHBondContact CD1-O 3.44Å; V1220-F1226 HydrophobicContact CG2-CB 4.1Å; V1220-F1226 PolarHBondContact N-O 3.42Å; V1220-F1226 PolarHBondContact O-N 2.04Å; V1220-F1226 VanDerWaalsContact O-O 3.1Å
1227	S	84.7	Confident	85.2	Confident	40 Å²	40	89.7 Å²	89.7	28%	0.28	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	147.3	168.1	-172.9	0	0	0	0	111.3	G1218 Y1229	G1218-S1227 CarbonylContact O-C 3.56Å; G1218-S1227 VanDerWaalsContact O-CA 3.31Å; G1218-S1227 WeakPolarHBondContact O-CA 3.31Å; G1218-S1227 PolarHBondContact O-OG 2.84Å; G1218-S1227 VanDerWaalsContact O-OG 3.09Å; S1227-Y1229 PolarHBondContact O-N 3.19Å; S1227-Y1229 PolarHBondContact OG-N 3.41Å
1228	K	82.7	Confident	84.9	Confident	101 Å²	101	85.6 Å²	85.6	44%	0.439	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-6	172.2	-64.6	179.9	-171.4	178.5	0	113.5	D1217 G1218 F1219 V1220	D1217-K1228 IonicContact OD1-NZ 2.78Å; D1217-K1228 PolarHBondContact OD1-NZ 3.13Å; G1218-K1228 PolarHBondContact O-N 2.9Å; F1219-K1228 VanDerWaalsContact O-CE 3.25Å; F1219-K1228 WeakPolarHBondContact O-CE 3.45Å; V1220-K1228 HydrophobicContact CG1-CD 4.33Å; V1220-K1228 HydrophobicContact CG1-CG 3.82Å; V1220-K1228 HydrophobicContact CG2-CG 4.38Å
1229	Y	72.9	Confident	84.8	Confident	187 Å²	187	92.3 Å²	92.3	73%	0.733	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	22.4	-169.4	-57.5	-68.7	0	0	0	114.2	S1227	S1227-Y1229 PolarHBondContact O-N 3.19Å; S1227-Y1229 PolarHBondContact OG-N 3.41Å
1230	F	55.3	Low	84.2	Confident	261 Å²	261	95.2 Å²	95.2	100%	1.145	45%	0.451	S	S	*	.			trans	-128.6	0	175.1	-94.1	-85.5	0	0	0	111

Retrieved 1,230 of 1,230 residues in 897.3 ms (Link to these results)

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