A0A087X2K1_POEFO Loading...

HHIP like 1

AlphaFold DB , UniProt , Accession A0A087X2K1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 822 aa.

						>A0A087X2K1_POEFO|A0A087X2K1
MIHSFLIHISQVFHIAYTLCFYFLINFLLLCKVLPAVFFAEFLSVRPAALHPQCLDFKPPFRPDRDLEFCIMYREFGCCDRQKDQELMARYYRIMENFTERGHKSCAGFVLELLCQECSPFAAHLFDAEDPSTPLRTIPGLCPDYCSQFWNQCRSIIPFLSDYTPLNQAKDDQNRFCKLLELDDADYCYPHLLSNHKLNQNLGRVQKDSDGCLQLCLEEVANGLRNPLAMVHANDGTHRFFVAEQVGLVWTYLPDRSKLEKPFLNITKAVLTSSWEGDERGFLGITFHPKYKYNGKLYVYYSVEVGFDERIRISEFKVSTNDMNLVDHTSERVILEIDEPASNHNGGMLLFGDDGYLYIFTGDGGMAGDPFGKHGNAQNKSALLGKVLRIDVDNNDKGPLYRIPSDNPFIHEPGARPEVYAYGVRNMWRCSVDRGDPHTKEGKSRIFCGDVGQNKYEEVDIIEKGCNYGWRAKEGFSCYDKKLCTNSSLNDVLPIYAYPHRKGKSVTGGYVYRGCEHPNLNGMYIFGDFMSGHLMSLKENTNSGEWKYNEICMGMGLTCAFPGLINNYYPYIISFAEDESGELYFMSTGTPSATAPSGVIYKVVDPSRRAPPRRCHYEPLPVRVRSNLIQFVPQENLIGVELPAENTSEAEPTRTYELLLDHLDRLSEREQDRTTPAPIRTTRSPQSPKRKGRGRKGKGRSRSLSELHNGVVRLVRDEFLHGDRGRVEIYVHGEWGTVCDDLWSIKNAEVVCRQLGFKYALKAARNAEFGEGKGLRILLDDVHCNGTEFNLLNCIHAGVGNHNCAHYEDAGVICGNSKPSEE
					

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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	52	Low	51.3	Low	219 Å²	219	123.1 Å²	123.1	100%	1.079	63%	0.629	S	S	*	*				0	-35	0	-99.1	-176.9	-86.5	0	0	114.3
2	I	51.9	Low	51.8	Low	140 Å²	140	120.5 Å²	120.5	72%	0.718	62%	0.623	S	S	*	*	H	α-helix	trans	-75.3	-27.9	179.5	-63.8	167.7	0	0	0	113.2	F5 L6	I2-F5 PolarHBondContact O-N 3.48Å; I2-L6 HydrophobicContact CG2-CD1 4.22Å; I2-L6 PolarHBondContact O-N 3.3Å
3	H	47.1	Very low	52	Low	155 Å²	155	122.2 Å²	122.2	72%	0.718	62%	0.623	S	S	*	*	H	α-helix	trans	-75	-34	-178.1	-136.3	42.8	0	0	0	114.1	F5 I7	H3-F5 VanDerWaalsContact C-N 3.32Å; H3-F5 PolarHBondContact O-N 3.49Å; H3-I7 WeakPolarHBondContact O-CG1 3.44Å; H3-I7 PolarHBondContact O-N 3.44Å
4	S	50.3	Low	52.3	Low	90 Å²	90	123.2 Å²	123.2	63%	0.629	62%	0.624	S	S	*	*	H	α-helix	trans	-71.5	-25.4	173	-67.8	0	0	0	0	113.2	H8	S4-H8 PolarHBondContact O-N 3.42Å
5	F	48.7	Very low	52.7	Low	152 Å²	152	121.9 Å²	121.9	67%	0.667	62%	0.618	S	S	*	*	H	α-helix	trans	-75.8	-35.7	-179.6	-142.9	-97.8	0	0	0	111.9	I2 H3 H8 I9	I2-F5 PolarHBondContact O-N 3.48Å; H3-F5 VanDerWaalsContact C-N 3.32Å; H3-F5 PolarHBondContact O-N 3.49Å; F5-H8 PolarHBondContact O-N 3.01Å; F5-I9 HydrophobicContact CD1-CD1 3.77Å; F5-I9 HydrophobicContact CE1-CD1 4.04Å; F5-I9 WeakPolarHBondContact O-CG1 3.49Å; F5-I9 PolarHBondContact O-N 3.07Å; F5-I9 VanDerWaalsContact O-N 3.13Å
6	L	47.2	Very low	52.9	Low	108 Å²	108	117.7 Å²	117.7	57%	0.565	61%	0.607	S	S	*	*	H	α-helix	trans	-71.6	-34	176.5	-82.4	156.5	0	0	0	113.2	I2 S10	I2-L6 HydrophobicContact CG2-CD1 4.22Å; I2-L6 PolarHBondContact O-N 3.3Å; L6-S10 WeakPolarHBondContact O-CB 3.34Å; L6-S10 PolarHBondContact O-N 3.47Å; L6-S10 VanDerWaalsContact O-N 3.07Å
7	I	54.7	Low	53	Low	96 Å²	96	120.7 Å²	120.7	49%	0.492	61%	0.61	S	S	.	*	H	α-helix	trans	-69.1	-37.7	175.2	-64.2	169.2	0	0	0	110.6	H3 S10 Q11	H3-I7 WeakPolarHBondContact O-CG1 3.44Å; H3-I7 PolarHBondContact O-N 3.44Å; I7-S10 PolarHBondContact O-N 3.07Å; I7-Q11 PolarHBondContact O-N 3.38Å
8	H	52.3	Low	53.3	Low	128 Å²	128	117.9 Å²	117.9	59%	0.593	60%	0.601	S	S	*	*	H	α-helix	trans	-68.3	-39.1	176.3	-114.5	-38.4	0	0	0	113	S4 F5 Q11 V12	S4-H8 PolarHBondContact O-N 3.42Å; F5-H8 PolarHBondContact O-N 3.01Å; H8-Q11 PolarHBondContact O-N 3.13Å; H8-V12 WeakPolarHBondContact O-CB 3.44Å; H8-V12 WeakPolarHBondContact O-CG2 3.48Å; H8-V12 PolarHBondContact O-N 3.5Å
9	I	54.4	Low	53.4	Low	79 Å²	79	116.9 Å²	116.9	41%	0.405	60%	0.596	S	S	.	*	H	α-helix	trans	-68	-40.2	176.8	-67.6	169	0	0	0	110.8	F5 V12 F13	F5-I9 HydrophobicContact CD1-CD1 3.77Å; F5-I9 HydrophobicContact CE1-CD1 4.04Å; F5-I9 WeakPolarHBondContact O-CG1 3.49Å; F5-I9 PolarHBondContact O-N 3.07Å; F5-I9 VanDerWaalsContact O-N 3.13Å; I9-V12 PolarHBondContact O-N 3.04Å; I9-F13 HydrophobicContact CG2-CD2 3.88Å; I9-F13 HydrophobicContact CG2-CE2 4.1Å; I9-F13 WeakPolarHBondContact O-CD2 3.21Å; I9-F13 PolarHBondContact O-N 3.49Å
10	S	52	Low	53.5	Low	77 Å²	77	115.2 Å²	115.2	54%	0.538	59%	0.594	S	S	.	*	H	α-helix	trans	-65	-39.9	176.9	-176.5	0	0	0	0	112.5	L6 I7 H14	L6-S10 WeakPolarHBondContact O-CB 3.34Å; L6-S10 PolarHBondContact O-N 3.47Å; L6-S10 VanDerWaalsContact O-N 3.07Å; I7-S10 PolarHBondContact O-N 3.07Å; S10-H14 WeakPolarHBondContact O-CB 3.43Å; S10-H14 PolarHBondContact O-N 3Å
11	Q	54.1	Low	53.6	Low	110 Å²	110	115.6 Å²	115.6	51%	0.514	59%	0.592	S	S	.	*	H	α-helix	trans	-68.6	-37.6	175.4	-77.7	-177.8	-27	0	0	112.9	I7 H8 H14 I15	I7-Q11 PolarHBondContact O-N 3.38Å; H8-Q11 PolarHBondContact O-N 3.13Å; Q11-H14 PolarHBondContact O-N 3.01Å; Q11-I15 WeakPolarHBondContact O-CB 3.34Å; Q11-I15 WeakPolarHBondContact O-CD1 3.4Å; Q11-I15 WeakPolarHBondContact O-CG1 3.43Å; Q11-I15 PolarHBondContact O-N 2.93Å
12	V	57.2	Low	53.8	Low	92 Å²	92	112.7 Å²	112.7	56%	0.558	57%	0.57	S	S	*	*	H	α-helix	trans	-68.2	-39.9	177.1	172	0	0	0	0	111.4	H8 I9 I15 A16	H8-V12 WeakPolarHBondContact O-CB 3.44Å; H8-V12 WeakPolarHBondContact O-CG2 3.48Å; H8-V12 PolarHBondContact O-N 3.5Å; I9-V12 PolarHBondContact O-N 3.04Å; V12-I15 PolarHBondContact O-N 3.46Å; V12-A16 VanDerWaalsContact O-CB 3.32Å; V12-A16 WeakPolarHBondContact O-CB 3.37Å; V12-A16 PolarHBondContact O-N 3.47Å
13	F	54.5	Low	54	Low	143 Å²	143	113.4 Å²	113.4	63%	0.627	57%	0.568	S	S	*	*	H	α-helix	trans	-66.6	-39	173.8	-94.2	-86.3	0	0	0	112.4	I9 A16 Y17	I9-F13 HydrophobicContact CG2-CD2 3.88Å; I9-F13 HydrophobicContact CG2-CE2 4.1Å; I9-F13 WeakPolarHBondContact O-CD2 3.21Å; I9-F13 PolarHBondContact O-N 3.49Å; F13-A16 PolarHBondContact O-N 3.48Å; F13-Y17 WeakPolarHBondContact O-CB 3.36Å; F13-Y17 PolarHBondContact O-N 2.97Å
14	H	55.6	Low	54.3	Low	136 Å²	136	110.9 Å²	110.9	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-67.9	-37.5	177.8	-141	-52.9	0	0	0	112.1	S10 Q11 T18	S10-H14 WeakPolarHBondContact O-CB 3.43Å; S10-H14 PolarHBondContact O-N 3Å; Q11-H14 PolarHBondContact O-N 3.01Å; H14-T18 WeakPolarHBondContact O-CB 3.37Å; H14-T18 PolarHBondContact O-N 3.4Å; H14-T18 PolarHBondContact O-OG1 3.4Å
15	I	59.1	Low	54.5	Low	104 Å²	104	110.4 Å²	110.4	53%	0.533	55%	0.549	S	S	.	.	H	α-helix	trans	-69.8	-41.6	176.1	-68.5	164.6	0	0	0	110.9	Q11 V12 T18 L19	Q11-I15 WeakPolarHBondContact O-CB 3.34Å; Q11-I15 WeakPolarHBondContact O-CD1 3.4Å; Q11-I15 WeakPolarHBondContact O-CG1 3.43Å; Q11-I15 PolarHBondContact O-N 2.93Å; V12-I15 PolarHBondContact O-N 3.46Å; I15-T18 PolarHBondContact O-N 3.42Å; I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 WeakPolarHBondContact O-CB 3.38Å; I15-L19 WeakPolarHBondContact O-CG 3.19Å; I15-L19 PolarHBondContact O-N 2.95Å
16	A	55.1	Low	54.7	Low	54 Å²	54	106.7 Å²	106.7	45%	0.446	54%	0.536	S	S	.	.	H	α-helix	trans	-65.5	-40.7	176.4	0	0	0	0	0	112.4	V12 F13 C20	V12-A16 VanDerWaalsContact O-CB 3.32Å; V12-A16 WeakPolarHBondContact O-CB 3.37Å; V12-A16 PolarHBondContact O-N 3.47Å; F13-A16 PolarHBondContact O-N 3.48Å; A16-C20 VanDerWaalsContact O-CB 3.28Å; A16-C20 WeakPolarHBondContact O-CB 3.45Å; A16-C20 PolarHBondContact O-N 2.6Å
17	Y	54.9	Low	55	Low	169 Å²	169	108.7 Å²	108.7	66%	0.663	54%	0.54	S	S	*	.	H	α-helix	trans	-67.5	-39.7	176.5	-137.7	-93.7	0	0	0	111.5	F13 C20 F21	F13-Y17 WeakPolarHBondContact O-CB 3.36Å; F13-Y17 PolarHBondContact O-N 2.97Å; Y17-C20 PolarHBondContact O-N 2.9Å; Y17-F21 HydrophobicContact CE1-CD2 4.48Å; Y17-F21 WeakPolarHBondContact O-CB 3.42Å; Y17-F21 PolarHBondContact O-N 2.93Å
18	T	58.8	Low	54.7	Low	71 Å²	71	108.6 Å²	108.6	44%	0.436	54%	0.541	S	S	.	.	H	α-helix	trans	-69	-39.6	178.2	-48.4	0	0	0	0	111.5	H14 I15 Y22	H14-T18 WeakPolarHBondContact O-CB 3.37Å; H14-T18 PolarHBondContact O-N 3.4Å; H14-T18 PolarHBondContact O-OG1 3.4Å; I15-T18 PolarHBondContact O-N 3.42Å; T18-Y22 WeakPolarHBondContact O-CB 3.28Å; T18-Y22 PolarHBondContact O-N 2.9Å
19	L	55.6	Low	54.4	Low	98 Å²	98	107.2 Å²	107.2	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-66.4	-40.3	173.7	-82.7	160	0	0	0	112.2	I15 Y22 F23	I15-L19 HydrophobicContact CG2-CD1 3.75Å; I15-L19 WeakPolarHBondContact O-CB 3.38Å; I15-L19 WeakPolarHBondContact O-CG 3.19Å; I15-L19 PolarHBondContact O-N 2.95Å; L19-Y22 PolarHBondContact O-N 3.32Å; L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 WeakPolarHBondContact O-CD2 3.23Å; L19-F23 PolarHBondContact O-N 2.71Å
20	C	53.7	Low	54	Low	83 Å²	83	108.5 Å²	108.5	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-68	-39.1	177.7	-154.6	0	0	0	0	111.3	A16 Y17 F23 L24	A16-C20 VanDerWaalsContact O-CB 3.28Å; A16-C20 WeakPolarHBondContact O-CB 3.45Å; A16-C20 PolarHBondContact O-N 2.6Å; Y17-C20 PolarHBondContact O-N 2.9Å; C20-F23 PolarHBondContact O-N 2.96Å; C20-L24 WeakPolarHBondContact O-CB 3.3Å; C20-L24 PolarHBondContact O-N 2.93Å
21	F	56.7	Low	53.7	Low	123 Å²	123	108.9 Å²	108.9	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-67.6	-38.1	173.2	-128.4	-98.8	0	0	0	112.4	Y17 L24 I25	Y17-F21 HydrophobicContact CE1-CD2 4.48Å; Y17-F21 WeakPolarHBondContact O-CB 3.42Å; Y17-F21 PolarHBondContact O-N 2.93Å; F21-L24 PolarHBondContact O-N 3.13Å; F21-I25 HydrophobicContact CD1-CD1 3.59Å; F21-I25 HydrophobicContact CD1-CG1 4.29Å; F21-I25 HydrophobicContact CE1-CD1 4Å; F21-I25 WeakPolarHBondContact O-CB 3.28Å; F21-I25 VanDerWaalsContact O-CG1 3.28Å; F21-I25 WeakPolarHBondContact O-CG1 3.41Å; F21-I25 PolarHBondContact O-N 3.3Å
22	Y	56.3	Low	53.2	Low	159 Å²	159	111.7 Å²	111.7	62%	0.624	56%	0.556	S	S	*	*	H	α-helix	trans	-66.4	-38.1	174.1	-123	-97.8	0	0	0	112.2	T18 L19 N26	T18-Y22 WeakPolarHBondContact O-CB 3.28Å; T18-Y22 PolarHBondContact O-N 2.9Å; L19-Y22 PolarHBondContact O-N 3.32Å; Y22-N26 WeakPolarHBondContact CD1-ND2 3.48Å; Y22-N26 VanDerWaalsContact O-CB 3.29Å; Y22-N26 WeakPolarHBondContact O-CB 3.46Å; Y22-N26 PolarHBondContact O-N 3.19Å; Y22-N26 PolarHBondContact O-ND2 3.49Å
23	F	54.9	Low	52.4	Low	154 Å²	154	112.2 Å²	112.2	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-69.6	-40.9	173.4	-98.8	-88.9	0	0	0	111.7	L19 C20 N26 F27	L19-F23 WeakPolarHBondContact O-CB 3.32Å; L19-F23 WeakPolarHBondContact O-CD2 3.23Å; L19-F23 PolarHBondContact O-N 2.71Å; C20-F23 PolarHBondContact O-N 2.96Å; F23-N26 PolarHBondContact O-N 3.43Å; F23-F27 WeakPolarHBondContact O-CB 3.26Å; F23-F27 PolarHBondContact O-N 2.73Å
24	L	53.8	Low	51.7	Low	102 Å²	102	111.4 Å²	111.4	53%	0.534	56%	0.561	S	S	.	*	H	α-helix	trans	-65.7	-41.7	177.5	-137.1	90.2	0	0	0	111.7	C20 F21 L28	C20-L24 WeakPolarHBondContact O-CB 3.3Å; C20-L24 PolarHBondContact O-N 2.93Å; F21-L24 PolarHBondContact O-N 3.13Å; L24-L28 HydrophobicContact CD2-CD1 4.37Å; L24-L28 HydrophobicContact CG-CD1 4.49Å; L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 WeakPolarHBondContact O-CD1 3.38Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 2.79Å; L24-L28 PolarHBondContact O-N 3.47Å
25	I	55.6	Low	51	Low	81 Å²	81	109.3 Å²	109.3	42%	0.415	56%	0.559	S	S	.	*	H	α-helix	trans	-70.7	-40.3	177.9	-70	172.3	0	0	0	111.2	F21 L28 L29	F21-I25 HydrophobicContact CD1-CD1 3.59Å; F21-I25 HydrophobicContact CD1-CG1 4.29Å; F21-I25 HydrophobicContact CE1-CD1 4Å; F21-I25 WeakPolarHBondContact O-CB 3.28Å; F21-I25 VanDerWaalsContact O-CG1 3.28Å; F21-I25 WeakPolarHBondContact O-CG1 3.41Å; F21-I25 PolarHBondContact O-N 3.3Å; I25-L28 PolarHBondContact O-N 3.26Å; I25-L29 HydrophobicContact CG2-CD1 3.79Å; I25-L29 WeakPolarHBondContact O-CB 3.37Å; I25-L29 WeakPolarHBondContact O-CD1 3.25Å; I25-L29 PolarHBondContact O-N 2.78Å
26	N	52.9	Low	50.1	Low	74 Å²	74	108.4 Å²	108.4	40%	0.396	57%	0.568	S	S	.	*	H	α-helix	trans	-71.3	-31.5	174.5	-80.7	-69.7	0	0	0	112.7	Y22 F23 L29 L30	Y22-N26 WeakPolarHBondContact CD1-ND2 3.48Å; Y22-N26 VanDerWaalsContact O-CB 3.29Å; Y22-N26 WeakPolarHBondContact O-CB 3.46Å; Y22-N26 PolarHBondContact O-N 3.19Å; Y22-N26 PolarHBondContact O-ND2 3.49Å; F23-N26 PolarHBondContact O-N 3.43Å; N26-L29 PolarHBondContact O-N 3.05Å; N26-L30 WeakPolarHBondContact O-CB 3.39Å; N26-L30 WeakPolarHBondContact O-CD1 3.41Å; N26-L30 PolarHBondContact O-N 3.21Å
27	F	53.9	Low	49.3	Very low	149 Å²	149	111.9 Å²	111.9	65%	0.654	58%	0.583	S	S	*	*	H	α-helix	trans	-70.8	-39.2	173	-161.4	-95.5	0	0	0	111.1	F23 L30 C31	F23-F27 WeakPolarHBondContact O-CB 3.26Å; F23-F27 PolarHBondContact O-N 2.73Å; F27-L30 PolarHBondContact O-N 2.71Å; F27-C31 VanDerWaalsContact O-CB 3.28Å; F27-C31 WeakPolarHBondContact O-CB 3.36Å; F27-C31 PolarHBondContact O-N 3.23Å; F27-C31 PolarHBondContact O-SG 2.73Å; F27-C31 VanDerWaalsContact O-SG 3.41Å
28	L	47.3	Very low	48.4	Very low	95 Å²	95	112.8 Å²	112.8	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-70.9	-29.4	172.7	-77.1	161.7	0	0	0	113.1	L24 I25 K32	L24-L28 HydrophobicContact CD2-CD1 4.37Å; L24-L28 HydrophobicContact CG-CD1 4.49Å; L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 WeakPolarHBondContact O-CD1 3.38Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 2.79Å; L24-L28 PolarHBondContact O-N 3.47Å; I25-L28 PolarHBondContact O-N 3.26Å; L28-K32 WeakPolarHBondContact O-CB 3.32Å; L28-K32 WeakPolarHBondContact O-CG 3.39Å; L28-K32 PolarHBondContact O-N 2.82Å
29	L	46.7	Very low	47.1	Very low	98 Å²	98	118.5 Å²	118.5	51%	0.513	61%	0.61	S	S	.	*	H	α-helix	trans	-76.4	-38.6	170.6	-102.5	93.3	0	0	0	112.1	I25 N26 K32 V33	I25-L29 HydrophobicContact CG2-CD1 3.79Å; I25-L29 WeakPolarHBondContact O-CB 3.37Å; I25-L29 WeakPolarHBondContact O-CD1 3.25Å; I25-L29 PolarHBondContact O-N 2.78Å; N26-L29 PolarHBondContact O-N 3.05Å; L29-K32 PolarHBondContact O-N 2.88Å; L29-V33 WeakPolarHBondContact O-CB 3.36Å; L29-V33 WeakPolarHBondContact O-CG2 3.26Å; L29-V33 PolarHBondContact O-N 3.38Å
30	L	44.9	Very low	46.2	Very low	107 Å²	107	118.3 Å²	118.3	56%	0.56	62%	0.622	S	S	*	*	H	α-helix	trans	-64.1	-41	172.2	-105.7	92.4	0	0	0	111.2	N26 F27 K32 V33 L34	N26-L30 WeakPolarHBondContact O-CB 3.39Å; N26-L30 WeakPolarHBondContact O-CD1 3.41Å; N26-L30 PolarHBondContact O-N 3.21Å; F27-L30 PolarHBondContact O-N 2.71Å; L30-K32 PolarHBondContact O-N 3.41Å; L30-V33 PolarHBondContact O-N 3.38Å; L30-L34 PolarHBondContact O-N 3.41Å
31	C	45.6	Very low	45.4	Very low	84 Å²	84	122.9 Å²	122.9	57%	0.568	64%	0.635	S	S	*	*	H	α-helix	trans	-70.9	-12.9	174.8	-76.7	0	0	0	0	113.9	F27	F27-C31 VanDerWaalsContact O-CB 3.28Å; F27-C31 WeakPolarHBondContact O-CB 3.36Å; F27-C31 PolarHBondContact O-N 3.23Å; F27-C31 PolarHBondContact O-SG 2.73Å; F27-C31 VanDerWaalsContact O-SG 3.41Å
32	K	43.8	Very low	44.4	Very low	169 Å²	169	126.4 Å²	126.4	74%	0.735	65%	0.651	S	S	*	*	H	α-helix	trans	-104.4	-12.8	176	-79.5	-174.7	174	-176	0	114.7	L28 L29 L30	L28-K32 WeakPolarHBondContact O-CB 3.32Å; L28-K32 WeakPolarHBondContact O-CG 3.39Å; L28-K32 PolarHBondContact O-N 2.82Å; L29-K32 PolarHBondContact O-N 2.88Å; L30-K32 PolarHBondContact O-N 3.41Å
33	V	41	Very low	43.4	Very low	104 Å²	104	125.8 Å²	125.8	63%	0.63	66%	0.658	S	S	*	*	H	α-helix	trans	-113.2	-5.2	-177.1	-177	0	0	0	0	113.2	L29 L30	L29-V33 WeakPolarHBondContact O-CB 3.36Å; L29-V33 WeakPolarHBondContact O-CG2 3.26Å; L29-V33 PolarHBondContact O-N 3.38Å; L30-V33 PolarHBondContact O-N 3.38Å
34	L	39.8	Very low	42.1	Very low	126 Å²	126	123.9 Å²	123.9	66%	0.66	66%	0.663	S	S	*	*	S	Bend	trans	-114.4	59.8	171.5	-82.4	155.4	0	0	0	113.7	L30	L30-L34 PolarHBondContact O-N 3.41Å
35	P	40.1	Very low	41	Very low	91 Å²	91	124 Å²	124	59%	0.591	67%	0.668	S	S	*	*	S	Bend	trans	-129.1	7	145	31.8	-17.7	0	0	0	114.1
36	A	39.6	Very low	39.7	Very low	86 Å²	86	129.6 Å²	129.6	71%	0.711	68%	0.684	S	S	*	*	S	Bend	trans	-102.9	-5.5	-168.6	0	0	0	0	0	116.6
37	V	40	Very low	38.7	Very low	126 Å²	126	131.7 Å²	131.7	76%	0.764	70%	0.702	S	S	*	*	S	Bend	trans	-136.8	2.1	-173.9	-166.4	0	0	0	0	115.1
38	F	34.3	Very low	37.8	Very low	188 Å²	188	128.7 Å²	128.7	83%	0.825	71%	0.705	S	S	*	*	S	Bend	trans	-124.5	26.5	177	-91.5	-77.9	0	0	0	114.4
39	F	33.3	Very low	37.6	Very low	192 Å²	192	127.3 Å²	127.3	84%	0.842	71%	0.707	S	S	*	*			trans	-125.5	63.1	168.6	-94.3	-85.9	0	0	0	109.3
40	A	35.8	Very low	37.9	Very low	94 Å²	94	129.3 Å²	129.3	78%	0.777	72%	0.717	S	S	*	*	S	Bend	trans	-133.4	-8.6	169.8	0	0	0	0	0	113.6
41	E	37.3	Very low	38.7	Very low	178 Å²	178	127.3 Å²	127.3	83%	0.832	71%	0.705	S	S	*	*	S	Bend	trans	-144.2	85.5	175.2	-70.2	-172.7	170.2	0	0	108.6
42	F	35.9	Very low	39.7	Very low	197 Å²	197	123.6 Å²	123.6	86%	0.864	68%	0.68	S	S	*	*	S	Bend	trans	170.3	135.3	138.9	-104.2	-84.5	0	0	0	107.4
43	L	33.8	Very low	40.7	Very low	147 Å²	147	116.6 Å²	116.6	77%	0.77	65%	0.65	S	S	*	*			trans	77.3	60.6	-174.3	-52.7	173.9	0	0	0	114.9	V45	L43-V45 HydrophobicContact CB-CG2 4.07Å; L43-V45 HydrophobicContact CD2-CG2 3.92Å; L43-V45 HydrophobicContact CG-CG2 4.48Å; L43-V45 PolarHBondContact O-N 2.86Å
44	S	29.2	Very low	42.1	Very low	113 Å²	113	112.1 Å²	112.1	79%	0.79	62%	0.623	S	S	*	*			trans	-66	72	130.7	167.6	0	0	0	0	107.5	R46	S44-R46 PolarHBondContact O-N 2.82Å
45	V	29.7	Very low	43	Very low	106 Å²	106	107.7 Å²	107.7	64%	0.642	60%	0.6	S	S	*	*			trans	-63.4	105.1	150.7	175	0	0	0	0	102.5	L43	L43-V45 HydrophobicContact CB-CG2 4.07Å; L43-V45 HydrophobicContact CD2-CG2 3.92Å; L43-V45 HydrophobicContact CG-CG2 4.48Å; L43-V45 PolarHBondContact O-N 2.86Å
46	R	27.9	Very low	43.6	Very low	197 Å²	197	109.4 Å²	109.4	74%	0.743	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-46.8	129.3	164.2	-72.4	-176.1	176.9	-169	-1.8	105.1	S44 A48	S44-R46 PolarHBondContact O-N 2.82Å; R46-A48 PolarHBondContact O-N 3.33Å
47	P	31.8	Very low	44.3	Very low	118 Å²	118	108.7 Å²	108.7	77%	0.766	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-49.9	122.1	173.6	-1.2	3.9	0	0	0	105.7	A49	P47-A49 PolarHBondContact O-N 2.64Å
48	A	34.9	Very low	45.3	Very low	87 Å²	87	105.3 Å²	105.3	72%	0.719	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-49.1	120.6	162.7	0	0	0	0	0	104.3	R46 L50	R46-A48 PolarHBondContact O-N 3.33Å; A48-L50 PolarHBondContact O-N 2.95Å
49	A	44.3	Very low	46.6	Very low	66 Å²	66	97.8 Å²	97.8	55%	0.545	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-53.3	118.9	-177.5	0	0	0	0	0	106.5	P47 H51	P47-A49 PolarHBondContact O-N 2.64Å; A49-H51 PolarHBondContact O-N 3.23Å; A49-H51 PolarHBondContact O-ND1 3.07Å
50	L	53.3	Low	48.1	Very low	140 Å²	140	88.9 Å²	88.9	73%	0.733	49%	0.492	S	S	*	.			trans	-67.6	109	174.1	-81.3	159.9	0	0	0	105.9	A48	A48-L50 PolarHBondContact O-N 2.95Å
51	H	60.4	Low	49.8	Very low	64 Å²	64	84.6 Å²	84.6	30%	0.296	46%	0.455	S	S	.	.			trans	-72.5	163.5	-175.3	-88.3	70.2	0	0	0	111	A49 L55 L135	A49-H51 PolarHBondContact O-N 3.23Å; A49-H51 PolarHBondContact O-ND1 3.07Å; H51-L55 HydrophobicContact CB-CD1 3.95Å; H51-L135 WeakPolarHBondContact CD2-CD1 3.4Å; H51-L135 WeakPolarHBondContact NE2-CB 3.39Å; H51-L135 WeakPolarHBondContact NE2-CD1 3.45Å
52	P	67.8	Low	51.4	Low	6 Å²	6	83.6 Å²	83.6	4%	0.039	44%	0.444	C	S	.	.			trans	-51.1	146	-177.2	-15.5	5.1	0	0	0	114.4	C54 L55 E117 A122 F126	P52-C54 PolarHBondContact O-N 2.74Å; P52-C54 VanDerWaalsContact O-N 3.17Å; P52-L55 HydrophobicContact CB-CD1 4.17Å; P52-L55 HydrophobicContact CB-CD2 4.4Å; P52-L55 HydrophobicContact CB-CG 3.82Å; P52-L55 HydrophobicContact CG-CD1 3.56Å; P52-L55 HydrophobicContact CG-CD2 4.35Å; P52-L55 HydrophobicContact CG-CG 3.78Å; P52-L55 WeakPolarHBondContact O-CB 3.4Å; P52-L55 WeakPolarHBondContact O-CG 3.18Å; P52-L55 PolarHBondContact O-N 2.9Å; P52-E117 HydrophobicContact CB-CB 3.88Å; P52-E117 HydrophobicContact CB-CG 4.02Å; P52-E117 HydrophobicContact CG-CB 4.46Å; P52-E117 HydrophobicContact CG-CG 4.05Å; P52-A122 HydrophobicContact CB-CB 4.01Å; P52-F126 HydrophobicContact CB-CD2 4.31Å; P52-F126 HydrophobicContact CB-CE2 4.44Å; P52-F126 HydrophobicContact CG-CB 4.25Å; P52-F126 HydrophobicContact CG-CD1 4.33Å; P52-F126 HydrophobicContact CG-CD2 3.47Å; P52-F126 VanDerWaalsContact CG-CD2 3.47Å; P52-F126 HydrophobicContact CG-CE2 3.8Å; P52-F126 HydrophobicContact CG-CG 3.77Å; P52-F126 HydrophobicContact CG-CZ 4.34Å
53	Q	64.7	Low	53	Low	22 Å²	22	75.1 Å²	75.1	10%	0.103	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.9	-173.6	-179.1	162.8	19.1	0	0	113.6	L55 C78 D80 K83 P612	Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-C78 WeakPolarHBondContact CG-O 3.42Å; Q53-C78 PolarHBondContact OE1-O 3.01Å; Q53-D80 PolarHBondContact NE2-OD2 2.83Å; Q53-K83 HydrophobicContact CB-CD 4.47Å; Q53-K83 HydrophobicContact CB-CG 4.11Å; Q53-P612 HydrophobicContact CG-CG 3.93Å
54	C	69.1	Low	54.4	Low	10 Å²	10	73.8 Å²	73.8	7%	0.068	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.2	176.4	-43.8	0	0	0	0	114.2	P52 C78 S119 A122	P52-C54 PolarHBondContact O-N 2.74Å; P52-C54 VanDerWaalsContact O-N 3.17Å; C54-C78 HydrophobicContact CB-CB 3.9Å; C54-C78 WeakPolarHBondContact CB-SG 3.5Å; C54-C78 WeakPolarHBondContact SG-CB 3.36Å; C54-C78 CovalentContact SG-SG 2.02Å; C54-C78 PolarHBondContact SG-SG 2.95Å; C54-S119 PolarHBondContact SG-O 3.02Å; C54-A122 HydrophobicContact CB-CB 3.95Å
55	L	59.1	Low	56.4	Low	33 Å²	33	76.7 Å²	76.7	17%	0.173	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-32.6	-173.9	-60.1	-165.3	0	0	0	112.3	H51 P52 Q53 A123 A128 L135	H51-L55 HydrophobicContact CB-CD1 3.95Å; P52-L55 HydrophobicContact CB-CD1 4.17Å; P52-L55 HydrophobicContact CB-CD2 4.4Å; P52-L55 HydrophobicContact CB-CG 3.82Å; P52-L55 HydrophobicContact CG-CD1 3.56Å; P52-L55 HydrophobicContact CG-CD2 4.35Å; P52-L55 HydrophobicContact CG-CG 3.78Å; P52-L55 WeakPolarHBondContact O-CB 3.4Å; P52-L55 WeakPolarHBondContact O-CG 3.18Å; P52-L55 PolarHBondContact O-N 2.9Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; L55-A123 HydrophobicContact CD2-CB 3.9Å; L55-A128 HydrophobicContact CB-CB 4.42Å; L55-A128 HydrophobicContact CD1-CB 3.32Å; L55-A128 HydrophobicContact CD2-CB 3.22Å; L55-A128 HydrophobicContact CG-CB 3.79Å; L55-L135 HydrophobicContact CD1-CD2 3.95Å
56	D	52.5	Low	58.8	Low	127 Å²	127	77.6 Å²	77.6	68%	0.679	40%	0.397	S	S	*	.	S	Bend	trans	-102.2	-5	179.8	-62.7	-38.2	0	0	0	113
57	F	54.3	Low	61.6	Low	71 Å²	71	68.7 Å²	68.7	31%	0.311	36%	0.364	S	S	.	.	S	Bend	trans	-140.6	104	-175.5	-57	-87.4	0	0	0	110.1	F61 P612	F57-F61 HydrophobicContact CB-CE2 3.78Å; F57-F61 HydrophobicContact CB-CZ 3.48Å; F57-F61 VanDerWaalsContact CB-CZ 3.48Å; F57-F61 WeakPolarHBondContact O-CE2 3.28Å; F57-F61 VanDerWaalsContact O-CZ 3.27Å; F57-F61 WeakPolarHBondContact O-CZ 3.29Å; F57-P612 HydrophobicContact CB-CB 4.47Å; F57-P612 HydrophobicContact CB-CG 3.69Å; F57-P612 HydrophobicContact CD1-CB 3.85Å; F57-P612 HydrophobicContact CD1-CG 4Å; F57-P612 HydrophobicContact CD2-CB 3.68Å; F57-P612 HydrophobicContact CD2-CG 3.58Å; F57-P612 HydrophobicContact CE1-CB 3.94Å; F57-P612 HydrophobicContact CE2-CB 3.78Å; F57-P612 HydrophobicContact CE2-CG 4.2Å; F57-P612 HydrophobicContact CG-CB 3.74Å; F57-P612 HydrophobicContact CG-CG 3.48Å; F57-P612 VanDerWaalsContact CG-CG 3.48Å; F57-P612 HydrophobicContact CZ-CB 3.91Å
58	K	62	Low	64.4	Low	55 Å²	55	69 Å²	69	24%	0.239	36%	0.355	C	S	.	.			trans	-53.9	159.6	-178.8	-59.3	-178.8	-170.4	175.7	0	113.5	F61 F561 P562 R609	K58-F61 WeakPolarHBondContact O-CE1 3.43Å; K58-F61 WeakPolarHBondContact O-CZ 3.33Å; K58-F561 HydrophobicContact CD-CB 3.91Å; K58-F561 HydrophobicContact CD-CD1 3.67Å; K58-F561 HydrophobicContact CD-CD2 4.32Å; K58-F561 HydrophobicContact CD-CE1 4.23Å; K58-F561 HydrophobicContact CD-CG 3.72Å; K58-F561 HydrophobicContact CG-CD1 3.93Å; K58-F561 HydrophobicContact CG-CE1 4.14Å; K58-F561 HydrophobicContact CG-CG 4.48Å; K58-P562 PolarHBondContact NZ-O 3.13Å; K58-P562 VanDerWaalsContact NZ-O 3.12Å; K58-R609 WeakPolarHBondContact O-CB 3.37Å
59	P	62.3	Low	67.2	Low	30 Å²	30	66.1 Å²	66.1	20%	0.195	33%	0.327	C	S	.	.	S	Bend	trans	-79.4	-171.7	-133	38	-43	0	0	0	116.5	P606 R608 R609	P59-P606 WeakPolarHBondContact CD-O 3.31Å; P59-P606 WeakPolarHBondContact CG-O 3.19Å; P59-R608 WeakPolarHBondContact O-CA 3.19Å; P59-R609 PolarHBondContact O-N 3.02Å
60	P	64.9	Low	69.4	Low	6 Å²	6	63 Å²	63	4%	0.039	30%	0.301	C	S	.	.				-41.6	138.7	-116.1	27.1	-38.8	0	0	0	116.2	P120 L202 S607 R608	P60-P120 HydrophobicContact CB-CB 4.12Å; P60-L202 HydrophobicContact CG-CB 4.44Å; P60-L202 HydrophobicContact CG-CD2 4.13Å; P60-S607 VanDerWaalsContact CD-O 3.3Å; P60-S607 WeakPolarHBondContact CD-O 3.31Å; P60-R608 WeakPolarHBondContact O-CG 3.48Å
61	F	71	Confident	71.1	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.018	29%	0.292	C	S	.	.			trans	-94.1	162.3	167.5	-51.1	-64.4	0	0	0	110.4	F57 K58 G77 C78 R609 A610 P611 P612	F57-F61 HydrophobicContact CB-CE2 3.78Å; F57-F61 HydrophobicContact CB-CZ 3.48Å; F57-F61 VanDerWaalsContact CB-CZ 3.48Å; F57-F61 WeakPolarHBondContact O-CE2 3.28Å; F57-F61 VanDerWaalsContact O-CZ 3.27Å; F57-F61 WeakPolarHBondContact O-CZ 3.29Å; K58-F61 WeakPolarHBondContact O-CE1 3.43Å; K58-F61 WeakPolarHBondContact O-CZ 3.33Å; F61-G77 CarbonylContact C-O 3.56Å; F61-C78 HydrophobicContact CD2-CB 3.53Å; F61-C78 HydrophobicContact CE2-CB 3.86Å; F61-R609 HydrophobicContact CD1-CB 4.46Å; F61-R609 WeakPolarHBondContact CD1-O 3.45Å; F61-R609 HydrophobicContact CE1-CB 3.6Å; F61-R609 HydrophobicContact CE1-CG 4.09Å; F61-R609 HydrophobicContact CZ-CB 4.36Å; F61-A610 WeakPolarHBondContact CD1-O 3.38Å; F61-A610 WeakPolarHBondContact CE1-O 3.06Å; F61-P611 HydrophobicContact CB-CG 4.23Å; F61-P612 HydrophobicContact CD2-CG 4.35Å; F61-P612 HydrophobicContact CE2-CG 4.03Å; F61-P612 HydrophobicContact CZ-CG 4.37Å
62	R	70.6	Confident	72.3	Confident	157 Å²	157	61.8 Å²	61.8	59%	0.592	30%	0.295	S	S	*	.			trans	-120.4	111.9	164	-172.8	178	178	174.5	0.5	107.1
63	P	68.9	Low	73	Confident	18 Å²	18	61.5 Å²	61.5	12%	0.117	29%	0.293	C	S	.	.			trans	-66.1	143.7	-178.3	28	-34	0	0	0	110.2	R65 L67	P63-R65 WeakPolarHBondContact CB-O 3.37Å; P63-R65 PolarHBondContact O-N 2.91Å; P63-L67 HydrophobicContact CB-CD2 4.42Å; P63-L67 HydrophobicContact CG-CD2 4.13Å; P63-L67 HydrophobicContact CG-CG 4.28Å
64	D	64.4	Low	73.7	Confident	120 Å²	120	66 Å²	66	64%	0.642	31%	0.309	S	S	*	.	S	Bend	trans	-70.2	-16.6	-179.1	-68.4	-41.2	0	0	0	112.9	R614	D64-R614 IonicContact OD1-CZ 2.85Å; D64-R614 IonicContact OD1-NH1 2.87Å; D64-R614 PolarHBondContact OD1-NH1 2.04Å; D64-R614 IonicContact OD1-NH2 2.79Å; D64-R614 IonicContact OD2-CZ 3.21Å; D64-R614 IonicContact OD2-NE 3.08Å; D64-R614 IonicContact OD2-NH1 3.92Å; D64-R614 PolarHBondContact OD2-NH1 3.16Å; D64-R614 IonicContact OD2-NH2 3.53Å
65	R	70.9	Confident	73.8	Confident	174 Å²	174	71.4 Å²	71.4	66%	0.657	33%	0.333	S	S	*	.	S	Bend	trans	-130.7	145	174.2	-63	-174.3	-176.2	-174.4	3	108.8	P63	P63-R65 WeakPolarHBondContact CB-O 3.37Å; P63-R65 PolarHBondContact O-N 2.91Å
66	D	79.8	Confident	74.6	Confident	124 Å²	124	72.8 Å²	72.8	66%	0.663	34%	0.338	S	S	*	.			trans	-59.6	143.2	178.9	-68.3	-34.4	0	0	0	111.4
67	L	85.9	Confident	75.8	Confident	10 Å²	10	66.7 Å²	66.7	5%	0.052	31%	0.306	C	S	.	.			trans	-68.6	142.2	171.1	-54.3	-179.3	0	0	0	109.2	P63 C70 I71 R74 C79 D84	P63-L67 HydrophobicContact CB-CD2 4.42Å; P63-L67 HydrophobicContact CG-CD2 4.13Å; P63-L67 HydrophobicContact CG-CG 4.28Å; L67-C70 HydrophobicContact CD1-CB 4.43Å; L67-C70 WeakPolarHBondContact CD1-O 3.24Å; L67-I71 WeakPolarHBondContact O-CG2 3.35Å; L67-R74 HydrophobicContact CG-CB 4.49Å; L67-C79 HydrophobicContact CD1-CB 4.05Å; L67-C79 HydrophobicContact CD2-CB 4.25Å; L67-D84 HydrophobicContact CD2-CB 4.01Å
68	E	90.2	Very high	77	Confident	125 Å²	125	63.4 Å²	63.4	58%	0.584	29%	0.291	S	S	*	.	S	Bend	trans	-96.5	-30.2	-179.5	-69.6	176.1	-170	0	0	111.3	R81 D84	E68-R81 IonicContact OE1-NH2 2.84Å; E68-D84 PolarHBondContact N-OD2 3.39Å
69	F	93.9	Very high	77.9	Confident	27 Å²	27	60.9 Å²	60.9	12%	0.118	28%	0.28	C	S	.	.	S	Bend	trans	-106.2	-61.3	-175.9	-177.9	-112.2	0	0	0	112.3	I71 D84 L87 M88 Y91 L111	F69-I71 PolarHBondContact O-N 3.09Å; F69-D84 PolarHBondContact N-OD2 3.17Å; F69-L87 HydrophobicContact CD1-CB 4.14Å; F69-L87 HydrophobicContact CE1-CB 4.2Å; F69-M88 HydrophobicContact CB-CB 3.86Å; F69-M88 HydrophobicContact CB-CG 4.23Å; F69-M88 HydrophobicContact CB-SD 4.4Å; F69-M88 HydrophobicContact CD1-CB 3.94Å; F69-M88 HydrophobicContact CD2-CB 3.93Å; F69-M88 HydrophobicContact CD2-CG 3.78Å; F69-M88 HydrophobicContact CE1-CB 4.49Å; F69-M88 HydrophobicContact CE2-CB 4.47Å; F69-M88 HydrophobicContact CE2-CG 4.3Å; F69-M88 HydrophobicContact CG-CB 3.64Å; F69-M88 HydrophobicContact CG-CG 4Å; F69-Y91 AromaticContact CE2-CD1 3.93Å; F69-Y91 HydrophobicContact CE2-CD1 3.93Å; F69-Y91 HydrophobicContact CE2-CD2 4.36Å; F69-Y91 AromaticContact CE2-CG 3.86Å; F69-Y91 HydrophobicContact CE2-CG 3.86Å; F69-Y91 HydrophobicContact CZ-CD1 4.02Å; F69-Y91 AromaticContact CZ-CD2 3.78Å; F69-Y91 HydrophobicContact CZ-CD2 3.78Å; F69-Y91 AromaticContact CZ-CG 3.45Å; F69-Y91 HydrophobicContact CZ-CG 3.45Å; F69-Y91 VanDerWaalsContact CZ-CG 3.45Å; F69-L111 HydrophobicContact CD1-CD1 4.12Å; F69-L111 HydrophobicContact CD2-CD1 3.98Å; F69-L111 HydrophobicContact CE1-CD1 3.55Å; F69-L111 HydrophobicContact CE2-CD1 3.41Å; F69-L111 VanDerWaalsContact CE2-CD1 3.41Å; F69-L111 HydrophobicContact CG-CD1 4.3Å; F69-L111 HydrophobicContact CZ-CD1 3.15Å; F69-L111 HydrophobicContact CZ-CG 4.46Å
70	C	91.3	Very high	78.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	28%	0.28	C	S	.	.	S	Bend	trans	-84.1	50.9	178.6	-65.4	0	0	0	0	112.4	L67 M72 Y73 D84 C115	L67-C70 HydrophobicContact CD1-CB 4.43Å; L67-C70 WeakPolarHBondContact CD1-O 3.24Å; C70-M72 PolarHBondContact O-N 3.48Å; C70-Y73 HydrophobicContact CB-CD2 4.45Å; C70-Y73 PolarHBondContact O-N 3.12Å; C70-D84 WeakPolarHBondContact CB-OD1 3.42Å; C70-D84 PolarHBondContact N-OD1 3.38Å; C70-C115 WeakPolarHBondContact CA-SG 3.39Å; C70-C115 HydrophobicContact CB-CB 3.73Å; C70-C115 WeakPolarHBondContact CB-SG 3.27Å; C70-C115 WeakPolarHBondContact SG-CA 3.42Å; C70-C115 WeakPolarHBondContact SG-CB 3.29Å; C70-C115 CovalentContact SG-SG 2.04Å; C70-C115 PolarHBondContact SG-SG 3.25Å
71	I	89	Confident	79.6	Confident	106 Å²	106	66 Å²	66	54%	0.544	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-54.6	-27.3	-172	63.8	172.5	0	0	0	114.2	L67 F69 Y73 R74	L67-I71 WeakPolarHBondContact O-CG2 3.35Å; F69-I71 PolarHBondContact O-N 3.09Å; I71-Y73 PolarHBondContact O-N 2.79Å; I71-R74 WeakPolarHBondContact O-CB 3.11Å; I71-R74 WeakPolarHBondContact O-CG 3.47Å; I71-R74 PolarHBondContact O-N 2.85Å
72	M	84.8	Confident	80.3	Confident	72 Å²	72	70.5 Å²	70.5	36%	0.355	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-65.7	-18.1	179.5	70.4	-154.7	-27.1	0	0	113.3	C70 F76 C115	C70-M72 PolarHBondContact O-N 3.48Å; M72-F76 WeakPolarHBondContact O-CE1 3.35Å; M72-F76 WeakPolarHBondContact O-CZ 3.44Å; M72-C115 HydrophobicContact SD-CB 4.31Å
73	Y	83.8	Confident	81	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-104.3	7.7	-179.8	-72.5	-64.9	0	0	0	113.9	C70 I71 E75 F76 G77 C115 Q116 C118 S119 L193	C70-Y73 HydrophobicContact CB-CD2 4.45Å; C70-Y73 PolarHBondContact O-N 3.12Å; I71-Y73 PolarHBondContact O-N 2.79Å; Y73-E75 VanDerWaalsContact C-N 3.26Å; Y73-E75 PolarHBondContact O-N 3.48Å; Y73-F76 HydrophobicContact CD1-CD2 4.37Å; Y73-F76 AromaticContact CD1-CE2 3.84Å; Y73-F76 HydrophobicContact CD1-CE2 3.84Å; Y73-F76 HydrophobicContact CD1-CZ 4.17Å; Y73-F76 AromaticContact CE1-CE2 3.85Å; Y73-F76 HydrophobicContact CE1-CE2 3.85Å; Y73-F76 HydrophobicContact CE1-CZ 4.26Å; Y73-G77 WeakPolarHBondContact O-CA 3.31Å; Y73-G77 PolarHBondContact O-N 3.07Å; Y73-C115 HydrophobicContact CD2-CB 4.09Å; Y73-C115 VanDerWaalsContact CD2-O 3.31Å; Y73-C115 WeakPolarHBondContact CD2-O 3.34Å; Y73-C115 HydrophobicContact CE2-CB 3.94Å; Y73-C115 WeakPolarHBondContact CE2-O 3.36Å; Y73-Q116 PolarHBondContact OH-NE2 3.25Å; Y73-Q116 PolarHBondContact OH-OE1 3.48Å; Y73-C118 HydrophobicContact CD2-CB 3.7Å; Y73-C118 HydrophobicContact CE2-CB 4.5Å; Y73-C118 HydrophobicContact CG-CB 3.75Å; Y73-S119 VanDerWaalsContact CE1-CA 3.44Å; Y73-L193 HydrophobicContact CE1-CD2 4.43Å
74	R	79.2	Confident	82	Confident	116 Å²	116	63.3 Å²	63.3	44%	0.438	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.5	-176.2	79.1	-171.3	-177.5	-178.8	-1.4	113.9	L67 I71	L67-R74 HydrophobicContact CG-CB 4.49Å; I71-R74 WeakPolarHBondContact O-CB 3.11Å; I71-R74 WeakPolarHBondContact O-CG 3.47Å; I71-R74 PolarHBondContact O-N 2.85Å
75	E	72	Confident	83.2	Confident	123 Å²	123	61.1 Å²	61.1	58%	0.575	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-22.7	-173.7	-63.1	-177.4	-163.6	0	0	113.5	Y73	Y73-E75 VanDerWaalsContact C-N 3.26Å; Y73-E75 PolarHBondContact O-N 3.48Å
76	F	74.2	Confident	84.2	Confident	62 Å²	62	56.2 Å²	56.2	27%	0.272	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	9.9	-169.2	65.4	-88.1	0	0	0	115.1	M72 Y73 P120 L193 L202	M72-F76 WeakPolarHBondContact O-CE1 3.35Å; M72-F76 WeakPolarHBondContact O-CZ 3.44Å; Y73-F76 HydrophobicContact CD1-CD2 4.37Å; Y73-F76 AromaticContact CD1-CE2 3.84Å; Y73-F76 HydrophobicContact CD1-CE2 3.84Å; Y73-F76 HydrophobicContact CD1-CZ 4.17Å; Y73-F76 AromaticContact CE1-CE2 3.85Å; Y73-F76 HydrophobicContact CE1-CE2 3.85Å; Y73-F76 HydrophobicContact CE1-CZ 4.26Å; F76-P120 HydrophobicContact CD2-CG 4Å; F76-P120 WeakPolarHBondContact O-CB 3.15Å; F76-P120 WeakPolarHBondContact O-CD 3.26Å; F76-P120 VanDerWaalsContact O-CG 3.29Å; F76-P120 WeakPolarHBondContact O-CG 3.39Å; F76-L193 HydrophobicContact CE2-CD2 4.34Å; F76-L193 HydrophobicContact CZ-CD2 4.36Å; F76-L202 HydrophobicContact CD2-CD1 4.4Å
77	G	78.1	Confident	84.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.23	C	C	.	.			trans	-103	172.9	179.6	0	0	0	0	0	115.1	F61 Y73 C118	F61-G77 CarbonylContact C-O 3.56Å; Y73-G77 WeakPolarHBondContact O-CA 3.31Å; Y73-G77 PolarHBondContact O-N 3.07Å; G77-C118 CarbonylContact C-O 3.47Å; G77-C118 WeakPolarHBondContact CA-O 3.23Å
78	C	79	Confident	85.2	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	24%	0.241	C	C	.	.			trans	-94	-4	-176.4	-47.1	0	0	0	0	115	Q53 C54 F61 D80 C118	Q53-C78 WeakPolarHBondContact CG-O 3.42Å; Q53-C78 PolarHBondContact OE1-O 3.01Å; C54-C78 HydrophobicContact CB-CB 3.9Å; C54-C78 WeakPolarHBondContact CB-SG 3.5Å; C54-C78 WeakPolarHBondContact SG-CB 3.36Å; C54-C78 CovalentContact SG-SG 2.02Å; C54-C78 PolarHBondContact SG-SG 2.95Å; F61-C78 HydrophobicContact CD2-CB 3.53Å; F61-C78 HydrophobicContact CE2-CB 3.86Å; C78-D80 PolarHBondContact O-N 3.29Å; C78-C118 PolarHBondContact N-O 2.91Å
79	C	80.9	Confident	85.4	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	23%	0.233	C	C	.	.			trans	-71.8	133.1	-174.4	-83.8	0	0	0	0	112.1	L67 C118	L67-C79 HydrophobicContact CD1-CB 4.05Å; L67-C79 HydrophobicContact CD2-CB 4.25Å; C79-C118 HydrophobicContact CB-CB 3.57Å; C79-C118 WeakPolarHBondContact CB-SG 3.23Å; C79-C118 WeakPolarHBondContact SG-CA 3.48Å; C79-C118 WeakPolarHBondContact SG-CB 3.49Å; C79-C118 CovalentContact SG-SG 2.01Å; C79-C118 PolarHBondContact SG-SG 2.76Å
80	D	80.5	Confident	85.3	Confident	37 Å²	37	51.5 Å²	51.5	20%	0.198	24%	0.241	C	C	.	.			trans	-90.1	176.7	158.3	70.4	33.5	0	0	0	111	Q53 C78 Q82 K83 D84	Q53-D80 PolarHBondContact NE2-OD2 2.83Å; C78-D80 PolarHBondContact O-N 3.29Å; D80-Q82 VanDerWaalsContact C-N 3.29Å; D80-Q82 PolarHBondContact O-N 2.74Å; D80-Q82 WeakPolarHBondContact OD1-CA 3.41Å; D80-Q82 WeakPolarHBondContact OD1-CB 3.33Å; D80-Q82 PolarHBondContact OD1-N 3.18Å; D80-K83 PolarHBondContact O-N 2.93Å; D80-K83 PolarHBondContact OD1-N 2.96Å; D80-D84 WeakPolarHBondContact O-CB 3.45Å; D80-D84 PolarHBondContact O-N 3.42Å
81	R	83.3	Confident	85.5	Confident	108 Å²	108	52.7 Å²	52.7	41%	0.408	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-37.8	179.2	-180	-177.9	176.5	139.8	8.8	112.8	E68 Q85	E68-R81 IonicContact OE1-NH2 2.84Å; R81-Q85 HydrophobicContact CG-CG 4.47Å; R81-Q85 WeakPolarHBondContact O-CB 3.22Å; R81-Q85 VanDerWaalsContact O-CG 3.26Å; R81-Q85 WeakPolarHBondContact O-CG 3.28Å; R81-Q85 PolarHBondContact O-N 2.98Å
82	Q	85.1	Confident	85.6	Confident	98 Å²	98	53.8 Å²	53.8	46%	0.458	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-49.2	-177.6	-177.8	-173.5	-24.8	0	0	109.2	D80 D84 Q85 E86	D80-Q82 VanDerWaalsContact C-N 3.29Å; D80-Q82 PolarHBondContact O-N 2.74Å; D80-Q82 WeakPolarHBondContact OD1-CA 3.41Å; D80-Q82 WeakPolarHBondContact OD1-CB 3.33Å; D80-Q82 PolarHBondContact OD1-N 3.18Å; Q82-D84 VanDerWaalsContact C-N 3.34Å; Q82-D84 PolarHBondContact O-N 3.34Å; Q82-Q85 PolarHBondContact O-N 2.94Å; Q82-E86 PolarHBondContact NE2-OE1 3.19Å; Q82-E86 WeakPolarHBondContact O-CG 3.4Å; Q82-E86 PolarHBondContact O-N 2.8Å
83	K	85.4	Confident	85.9	Confident	19 Å²	19	58.7 Å²	58.7	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-40.8	177.8	-172.2	67.1	179.1	-176.6	0	111.9	Q53 D80 Q85 E86 L87 E117	Q53-K83 HydrophobicContact CB-CD 4.47Å; Q53-K83 HydrophobicContact CB-CG 4.11Å; D80-K83 PolarHBondContact O-N 2.93Å; D80-K83 PolarHBondContact OD1-N 2.96Å; K83-Q85 VanDerWaalsContact C-N 3.29Å; K83-Q85 PolarHBondContact O-N 2.76Å; K83-E86 WeakPolarHBondContact O-CB 3.43Å; K83-E86 PolarHBondContact O-N 3.22Å; K83-E86 VanDerWaalsContact O-N 3.15Å; K83-L87 HydrophobicContact CG-CD1 4.32Å; K83-L87 HydrophobicContact CG-CG 4.45Å; K83-L87 WeakPolarHBondContact O-CG 3.47Å; K83-L87 PolarHBondContact O-N 3.2Å; K83-E117 WeakPolarHBondContact CE-OE2 3.49Å; K83-E117 IonicContact NZ-OE2 3.42Å; K83-E117 PolarHBondContact NZ-OE2 2.78Å
84	D	89.8	Confident	86.2	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-42.1	175.5	-168	56	0	0	0	112.1	L67 E68 F69 C70 D80 Q82 L87 M88	L67-D84 HydrophobicContact CD2-CB 4.01Å; E68-D84 PolarHBondContact N-OD2 3.39Å; F69-D84 PolarHBondContact N-OD2 3.17Å; C70-D84 WeakPolarHBondContact CB-OD1 3.42Å; C70-D84 PolarHBondContact N-OD1 3.38Å; D80-D84 WeakPolarHBondContact O-CB 3.45Å; D80-D84 PolarHBondContact O-N 3.42Å; Q82-D84 VanDerWaalsContact C-N 3.34Å; Q82-D84 PolarHBondContact O-N 3.34Å; D84-L87 PolarHBondContact O-N 3.37Å; D84-M88 WeakPolarHBondContact O-CB 3.48Å; D84-M88 PolarHBondContact O-N 2.83Å
85	Q	91.1	Very high	86.7	Confident	74 Å²	74	53.7 Å²	53.7	35%	0.346	24%	0.24	S	C	.	.	H	α-helix	trans	-68.8	-37.5	175.3	-71.8	179.2	-14.4	0	0	113	R81 Q82 K83 M88 A89	R81-Q85 HydrophobicContact CG-CG 4.47Å; R81-Q85 WeakPolarHBondContact O-CB 3.22Å; R81-Q85 VanDerWaalsContact O-CG 3.26Å; R81-Q85 WeakPolarHBondContact O-CG 3.28Å; R81-Q85 PolarHBondContact O-N 2.98Å; Q82-Q85 PolarHBondContact O-N 2.94Å; K83-Q85 VanDerWaalsContact C-N 3.29Å; K83-Q85 PolarHBondContact O-N 2.76Å; Q85-M88 PolarHBondContact O-N 3.38Å; Q85-A89 WeakPolarHBondContact O-CB 3.16Å; Q85-A89 PolarHBondContact O-N 2.85Å
86	E	91.1	Very high	87.4	Confident	72 Å²	72	55.4 Å²	55.4	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-44.5	174.6	-72.6	172.3	-169.1	0	0	111.5	Q82 K83 A89 R90	Q82-E86 PolarHBondContact NE2-OE1 3.19Å; Q82-E86 WeakPolarHBondContact O-CG 3.4Å; Q82-E86 PolarHBondContact O-N 2.8Å; K83-E86 WeakPolarHBondContact O-CB 3.43Å; K83-E86 PolarHBondContact O-N 3.22Å; K83-E86 VanDerWaalsContact O-N 3.15Å; E86-A89 PolarHBondContact O-N 2.57Å; E86-R90 WeakPolarHBondContact O-CB 3.2Å; E86-R90 PolarHBondContact O-N 2.82Å
87	L	92.3	Very high	88	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-42.2	175.7	-67.8	176	0	0	0	111.4	F69 K83 D84 A89 R90 Y91 L114 E117 C118	F69-L87 HydrophobicContact CD1-CB 4.14Å; F69-L87 HydrophobicContact CE1-CB 4.2Å; K83-L87 HydrophobicContact CG-CD1 4.32Å; K83-L87 HydrophobicContact CG-CG 4.45Å; K83-L87 WeakPolarHBondContact O-CG 3.47Å; K83-L87 PolarHBondContact O-N 3.2Å; D84-L87 PolarHBondContact O-N 3.37Å; L87-A89 PolarHBondContact O-N 3.36Å; L87-R90 PolarHBondContact O-N 2.81Å; L87-Y91 WeakPolarHBondContact O-CB 3.32Å; L87-Y91 PolarHBondContact O-N 2.91Å; L87-L114 HydrophobicContact CD2-CB 4.47Å; L87-E117 HydrophobicContact CD1-CB 4.27Å; L87-E117 HydrophobicContact CD2-CB 4.23Å; L87-E117 HydrophobicContact CD2-CG 4.31Å; L87-C118 WeakPolarHBondContact CD1-SG 3.41Å
88	M	94.7	Very high	88.2	Confident	57 Å²	57	58.6 Å²	58.6	28%	0.281	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-45.6	173.6	-175.3	177.1	64.5	0	0	111.6	F69 D84 Q85 Y91 Y92	F69-M88 HydrophobicContact CB-CB 3.86Å; F69-M88 HydrophobicContact CB-CG 4.23Å; F69-M88 HydrophobicContact CB-SD 4.4Å; F69-M88 HydrophobicContact CD1-CB 3.94Å; F69-M88 HydrophobicContact CD2-CB 3.93Å; F69-M88 HydrophobicContact CD2-CG 3.78Å; F69-M88 HydrophobicContact CE1-CB 4.49Å; F69-M88 HydrophobicContact CE2-CB 4.47Å; F69-M88 HydrophobicContact CE2-CG 4.3Å; F69-M88 HydrophobicContact CG-CB 3.64Å; F69-M88 HydrophobicContact CG-CG 4Å; D84-M88 WeakPolarHBondContact O-CB 3.48Å; D84-M88 PolarHBondContact O-N 2.83Å; Q85-M88 PolarHBondContact O-N 3.38Å; M88-Y91 WeakPolarHBondContact O-CB 3.38Å; M88-Y91 PolarHBondContact O-N 2.78Å; M88-Y92 HydrophobicContact CG-CD2 3.95Å; M88-Y92 HydrophobicContact CG-CE2 3.54Å; M88-Y92 WeakPolarHBondContact O-CD2 3.47Å; M88-Y92 PolarHBondContact O-N 3.21Å; M88-Y92 VanDerWaalsContact O-N 3.17Å; M88-Y92 HydrophobicContact SD-CE2 4.19Å
89	A	94.3	Very high	88.3	Confident	50 Å²	50	63.5 Å²	63.5	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-40	177.7	0	0	0	0	0	112.1	Q85 E86 L87 R93	Q85-A89 WeakPolarHBondContact O-CB 3.16Å; Q85-A89 PolarHBondContact O-N 2.85Å; E86-A89 PolarHBondContact O-N 2.57Å; L87-A89 PolarHBondContact O-N 3.36Å; A89-R93 PolarHBondContact O-N 3.32Å
90	R	92.4	Very high	88.2	Confident	77 Å²	77	69.9 Å²	69.9	29%	0.291	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.4	-174.7	174.9	176.5	-162.4	-1	111.3	E86 L87 R93 I94 L114 E117 L160	E86-R90 WeakPolarHBondContact O-CB 3.2Å; E86-R90 PolarHBondContact O-N 2.82Å; L87-R90 PolarHBondContact O-N 2.81Å; R90-R93 PolarHBondContact O-N 2.99Å; R90-I94 HydrophobicContact CG-CD1 4.06Å; R90-I94 WeakPolarHBondContact O-CG1 3.48Å; R90-I94 PolarHBondContact O-N 2.95Å; R90-L114 HydrophobicContact CG-CD1 4.48Å; R90-L114 HydrophobicContact CG-CD2 4.28Å; R90-E117 IonicContact NH1-OE1 3.54Å; R90-E117 PolarHBondContact NH1-OE1 2.72Å; R90-L160 PolarHBondContact NH2-O 3.46Å; R90-L160 VanDerWaalsContact NH2-O 3.13Å
91	Y	93.9	Very high	88.1	Confident	26 Å²	26	77.9 Å²	77.9	10%	0.102	35%	0.353	C	S	.	.	H	α-helix	trans	-56	-55.7	175.6	173.1	-93.9	0	0	0	111.8	F69 L87 M88 R93 I94 M95 A107 V110 L111 L114	F69-Y91 AromaticContact CE2-CD1 3.93Å; F69-Y91 HydrophobicContact CE2-CD1 3.93Å; F69-Y91 HydrophobicContact CE2-CD2 4.36Å; F69-Y91 AromaticContact CE2-CG 3.86Å; F69-Y91 HydrophobicContact CE2-CG 3.86Å; F69-Y91 HydrophobicContact CZ-CD1 4.02Å; F69-Y91 AromaticContact CZ-CD2 3.78Å; F69-Y91 HydrophobicContact CZ-CD2 3.78Å; F69-Y91 AromaticContact CZ-CG 3.45Å; F69-Y91 HydrophobicContact CZ-CG 3.45Å; F69-Y91 VanDerWaalsContact CZ-CG 3.45Å; L87-Y91 WeakPolarHBondContact O-CB 3.32Å; L87-Y91 PolarHBondContact O-N 2.91Å; M88-Y91 WeakPolarHBondContact O-CB 3.38Å; M88-Y91 PolarHBondContact O-N 2.78Å; Y91-R93 VanDerWaalsContact C-N 3.29Å; Y91-R93 PolarHBondContact O-N 3.37Å; Y91-I94 PolarHBondContact O-N 2.85Å; Y91-I94 VanDerWaalsContact O-N 3.15Å; Y91-M95 HydrophobicContact CD1-CG 4.24Å; Y91-M95 HydrophobicContact CD2-CG 4.17Å; Y91-M95 HydrophobicContact CE1-CG 3.91Å; Y91-M95 HydrophobicContact CE2-CG 3.83Å; Y91-M95 HydrophobicContact CE2-SD 4.32Å; Y91-M95 HydrophobicContact CG-CG 4.36Å; Y91-M95 WeakPolarHBondContact O-CB 3.26Å; Y91-M95 VanDerWaalsContact O-CG 3.26Å; Y91-M95 WeakPolarHBondContact O-CG 3.28Å; Y91-M95 PolarHBondContact O-N 2.86Å; Y91-A107 WeakPolarHBondContact CE2-O 3.28Å; Y91-A107 WeakPolarHBondContact OH-CB 3.32Å; Y91-V110 HydrophobicContact CD2-CB 4.23Å; Y91-V110 HydrophobicContact CD2-CG1 3.76Å; Y91-V110 HydrophobicContact CE2-CB 4.13Å; Y91-V110 HydrophobicContact CE2-CG1 4.13Å; Y91-L111 HydrophobicContact CD2-CB 4.37Å; Y91-L111 HydrophobicContact CE2-CB 4.03Å; Y91-L114 HydrophobicContact CD2-CD1 4.34Å
92	Y	91.9	Very high	87.8	Confident	129 Å²	129	73.5 Å²	73.5	51%	0.506	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-39.3	-178.1	-73.3	-65.1	0	0	0	112.1	M88 I94 M95 E96	M88-Y92 HydrophobicContact CG-CD2 3.95Å; M88-Y92 HydrophobicContact CG-CE2 3.54Å; M88-Y92 WeakPolarHBondContact O-CD2 3.47Å; M88-Y92 PolarHBondContact O-N 3.21Å; M88-Y92 VanDerWaalsContact O-N 3.17Å; M88-Y92 HydrophobicContact SD-CE2 4.19Å; Y92-I94 PolarHBondContact O-N 2.8Å; Y92-M95 PolarHBondContact O-N 3.27Å; Y92-E96 WeakPolarHBondContact O-CG 3.47Å; Y92-E96 PolarHBondContact O-N 2.82Å
93	R	91.6	Very high	87.7	Confident	175 Å²	175	72.1 Å²	72.1	66%	0.66	34%	0.335	S	S	*	.	H	α-helix	trans	-61.5	-41	175.9	-170.2	-173.1	-58	168.5	3.8	113.1	A89 R90 Y91 N97	A89-R93 PolarHBondContact O-N 3.32Å; R90-R93 PolarHBondContact O-N 2.99Å; Y91-R93 VanDerWaalsContact C-N 3.29Å; Y91-R93 PolarHBondContact O-N 3.37Å; R93-N97 PolarHBondContact O-ND2 2.65Å; R93-N97 VanDerWaalsContact O-ND2 3.09Å
94	I	89.6	Confident	87.5	Confident	10 Å²	10	78.8 Å²	78.8	5%	0.051	36%	0.364	C	S	.	.	H	α-helix	trans	-65.4	-47.7	176.1	-70	169.4	0	0	0	109.2	R90 Y91 Y92 E96 N97 F98 V110 L114 I156 F159 L160	R90-I94 HydrophobicContact CG-CD1 4.06Å; R90-I94 WeakPolarHBondContact O-CG1 3.48Å; R90-I94 PolarHBondContact O-N 2.95Å; Y91-I94 PolarHBondContact O-N 2.85Å; Y91-I94 VanDerWaalsContact O-N 3.15Å; Y92-I94 PolarHBondContact O-N 2.8Å; I94-E96 VanDerWaalsContact C-N 3.33Å; I94-E96 PolarHBondContact O-N 3.15Å; I94-N97 PolarHBondContact O-N 2.76Å; I94-N97 PolarHBondContact O-ND2 3.49Å; I94-F98 HydrophobicContact CG2-CE2 4.36Å; I94-F98 WeakPolarHBondContact O-CD2 3.41Å; I94-F98 WeakPolarHBondContact O-CE2 3.28Å; I94-V110 HydrophobicContact CD1-CG1 4.43Å; I94-V110 HydrophobicContact CG2-CG1 4.2Å; I94-L114 HydrophobicContact CD1-CD1 4.34Å; I94-L114 HydrophobicContact CD1-CD2 4.47Å; I94-I156 HydrophobicContact CG2-CG2 4.15Å; I94-F159 HydrophobicContact CG1-CB 4.39Å; I94-F159 HydrophobicContact CG2-CB 4.04Å; I94-L160 HydrophobicContact CD1-CD2 3.92Å
95	M	88.6	Confident	87.2	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-68.1	-28.1	-173.1	-66.1	-52.3	-61	0	0	113.7	Y91 Y92 N97 F98 H103 A107 V110	Y91-M95 HydrophobicContact CD1-CG 4.24Å; Y91-M95 HydrophobicContact CD2-CG 4.17Å; Y91-M95 HydrophobicContact CE1-CG 3.91Å; Y91-M95 HydrophobicContact CE2-CG 3.83Å; Y91-M95 HydrophobicContact CE2-SD 4.32Å; Y91-M95 HydrophobicContact CG-CG 4.36Å; Y91-M95 WeakPolarHBondContact O-CB 3.26Å; Y91-M95 VanDerWaalsContact O-CG 3.26Å; Y91-M95 WeakPolarHBondContact O-CG 3.28Å; Y91-M95 PolarHBondContact O-N 2.86Å; Y92-M95 PolarHBondContact O-N 3.27Å; M95-N97 PolarHBondContact O-N 2.95Å; M95-F98 PolarHBondContact O-N 2.74Å; M95-H103 HydrophobicContact CE-CB 4.26Å; M95-H103 WeakPolarHBondContact CE-ND1 3.33Å; M95-H103 PolarHBondContact O-NE2 3.09Å; M95-H103 VanDerWaalsContact O-NE2 3.17Å; M95-A107 HydrophobicContact CE-CB 4.13Å; M95-V110 HydrophobicContact SD-CB 4.16Å; M95-V110 HydrophobicContact SD-CG1 4.31Å; M95-V110 HydrophobicContact SD-CG2 3.99Å
96	E	88.5	Confident	87.1	Confident	158 Å²	158	78 Å²	78	74%	0.738	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.6	173.8	-82.3	173	-175.3	0	0	114.3	Y92 I94 F98	Y92-E96 WeakPolarHBondContact O-CG 3.47Å; Y92-E96 PolarHBondContact O-N 2.82Å; I94-E96 VanDerWaalsContact C-N 3.33Å; I94-E96 PolarHBondContact O-N 3.15Å; E96-F98 PolarHBondContact O-N 3.4Å
97	N	85.5	Confident	87	Confident	94 Å²	94	75.7 Å²	75.7	50%	0.503	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	0.6	178.9	-61.9	-75.2	0	0	0	113.7	R93 I94 M95 F159	R93-N97 PolarHBondContact O-ND2 2.65Å; R93-N97 VanDerWaalsContact O-ND2 3.09Å; I94-N97 PolarHBondContact O-N 2.76Å; I94-N97 PolarHBondContact O-ND2 3.49Å; M95-N97 PolarHBondContact O-N 2.95Å; N97-F159 HydrophobicContact CB-CD1 4.46Å; N97-F159 HydrophobicContact CB-CE1 3.93Å; N97-F159 HydrophobicContact CB-CE2 4.47Å; N97-F159 HydrophobicContact CB-CZ 3.93Å
98	F	81.9	Confident	86.9	Confident	36 Å²	36	77.4 Å²	77.4	16%	0.158	38%	0.379	C	S	.	.	S	Bend	trans	-119.5	148.4	-170.6	-64.7	-82.5	0	0	0	113.8	I94 M95 E96 I156 F159	I94-F98 HydrophobicContact CG2-CE2 4.36Å; I94-F98 WeakPolarHBondContact O-CD2 3.41Å; I94-F98 WeakPolarHBondContact O-CE2 3.28Å; M95-F98 PolarHBondContact O-N 2.74Å; E96-F98 PolarHBondContact O-N 3.4Å; F98-I156 HydrophobicContact CD1-CG1 4.22Å; F98-I156 HydrophobicContact CD2-CG1 4.29Å; F98-I156 HydrophobicContact CE1-CD1 4.34Å; F98-I156 HydrophobicContact CE1-CG1 3.49Å; F98-I156 VanDerWaalsContact CE1-CG1 3.49Å; F98-I156 HydrophobicContact CE2-CD1 4.4Å; F98-I156 HydrophobicContact CE2-CG1 3.56Å; F98-I156 HydrophobicContact CZ-CB 4.07Å; F98-I156 HydrophobicContact CZ-CD1 4.23Å; F98-I156 HydrophobicContact CZ-CG1 3.13Å; F98-F159 HydrophobicContact CE2-CD2 4.1Å; F98-F159 HydrophobicContact CE2-CE2 4.32Å; F98-F159 AromaticContact CZ-CD2 3.71Å; F98-F159 HydrophobicContact CZ-CD2 3.71Å; F98-F159 AromaticContact CZ-CE2 3.75Å; F98-F159 HydrophobicContact CZ-CE2 3.75Å
99	T	82.4	Confident	86.8	Confident	104 Å²	104	75.8 Å²	75.8	64%	0.638	37%	0.37	S	S	*	.			trans	-70.5	163.8	171.1	62	0	0	0	0	111.1	R101 G102 H103	T99-R101 PolarHBondContact O-N 2.85Å; T99-G102 WeakPolarHBondContact O-CA 3.32Å; T99-G102 PolarHBondContact O-N 2.71Å; T99-H103 PolarHBondContact O-N 3.29Å
100	E	78.8	Confident	86.7	Confident	136 Å²	136	73.4 Å²	73.4	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-52.6	-32.2	176.9	-161.4	-163.9	147.5	0	0	113.1	H103 K104	E100-H103 WeakPolarHBondContact O-CB 3.11Å; E100-K104 PolarHBondContact O-N 3.18Å; E100-K104 VanDerWaalsContact O-N 3.15Å; E100-K104 WeakPolarHBondContact OE1-CE 3.38Å; E100-K104 IonicContact OE1-NZ 3Å; E100-K104 PolarHBondContact OE1-NZ 3.08Å
101	R	77.1	Confident	86.7	Confident	205 Å²	205	72.3 Å²	72.3	77%	0.774	35%	0.35	S	S	*	.	H	α-helix	trans	-69	-42.3	174.3	-174.9	-178.9	-78.4	172.9	-4.5	112.1	T99 H103 K104 S105	T99-R101 PolarHBondContact O-N 2.85Å; R101-H103 VanDerWaalsContact C-N 3.33Å; R101-K104 PolarHBondContact O-N 2.86Å; R101-S105 PolarHBondContact O-N 3.01Å; R101-S105 PolarHBondContact O-OG 2.81Å
102	G	78.3	Confident	86.6	Confident	16 Å²	16	73.8 Å²	73.8	17%	0.165	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-37.7	175.1	0	0	0	0	0	112.3	T99 S105 C106	T99-G102 WeakPolarHBondContact O-CA 3.32Å; T99-G102 PolarHBondContact O-N 2.71Å; G102-S105 PolarHBondContact O-N 2.98Å; G102-C106 WeakPolarHBondContact O-CB 3.4Å; G102-C106 PolarHBondContact O-N 3.09Å
103	H	82.9	Confident	86.7	Confident	68 Å²	68	67.9 Å²	67.9	32%	0.315	34%	0.335	S	S	.	.	H	α-helix	trans	-56.1	-52.6	170.7	-96.4	-91.8	0	0	0	112.3	M95 T99 E100 R101 S105 C106 A107	M95-H103 HydrophobicContact CE-CB 4.26Å; M95-H103 WeakPolarHBondContact CE-ND1 3.33Å; M95-H103 PolarHBondContact O-NE2 3.09Å; M95-H103 VanDerWaalsContact O-NE2 3.17Å; T99-H103 PolarHBondContact O-N 3.29Å; E100-H103 WeakPolarHBondContact O-CB 3.11Å; R101-H103 VanDerWaalsContact C-N 3.33Å; H103-S105 VanDerWaalsContact C-N 3.27Å; H103-S105 PolarHBondContact O-N 2.92Å; H103-C106 PolarHBondContact O-N 3.16Å; H103-A107 WeakPolarHBondContact O-CB 3.44Å; H103-A107 PolarHBondContact O-N 3.05Å
104	K	81.5	Confident	86.7	Confident	160 Å²	160	59.7 Å²	59.7	70%	0.696	30%	0.304	S	S	*	.	H	α-helix	trans	-62.6	-32.3	-178.2	-73.2	175.6	-172.4	166.2	0	113.4	E100 R101	E100-K104 PolarHBondContact O-N 3.18Å; E100-K104 VanDerWaalsContact O-N 3.15Å; E100-K104 WeakPolarHBondContact OE1-CE 3.38Å; E100-K104 IonicContact OE1-NZ 3Å; E100-K104 PolarHBondContact OE1-NZ 3.08Å; R101-K104 PolarHBondContact O-N 2.86Å
105	S	82.2	Confident	86.8	Confident	57 Å²	57	59.2 Å²	59.2	40%	0.399	30%	0.302	S	S	.	.	H	α-helix	trans	-84.7	-30.5	-178.5	-65.1	0	0	0	0	113.8	R101 G102 H103	R101-S105 PolarHBondContact O-N 3.01Å; R101-S105 PolarHBondContact O-OG 2.81Å; G102-S105 PolarHBondContact O-N 2.98Å; H103-S105 VanDerWaalsContact C-N 3.27Å; H103-S105 PolarHBondContact O-N 2.92Å
106	C	88.6	Confident	86.9	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.02	30%	0.302	C	S	.	.	H	α-helix	trans	-124.6	-11.3	-165.6	-62.6	0	0	0	0	116.6	G102 H103 G108 F109 V110 Q152 C153 I156	G102-C106 WeakPolarHBondContact O-CB 3.4Å; G102-C106 PolarHBondContact O-N 3.09Å; H103-C106 PolarHBondContact O-N 3.16Å; C106-G108 PolarHBondContact O-N 3.15Å; C106-F109 PolarHBondContact O-N 2.96Å; C106-V110 WeakPolarHBondContact O-CG2 2.79Å; C106-V110 PolarHBondContact O-N 2.87Å; C106-Q152 PolarHBondContact SG-O 2.94Å; C106-Q152 VanDerWaalsContact SG-O 3.4Å; C106-C153 WeakPolarHBondContact CA-SG 3.34Å; C106-C153 HydrophobicContact CB-CB 3.93Å; C106-C153 WeakPolarHBondContact CB-SG 3.34Å; C106-C153 WeakPolarHBondContact SG-CA 3.34Å; C106-C153 WeakPolarHBondContact SG-CB 3.35Å; C106-C153 CovalentContact SG-SG 2.04Å; C106-C153 PolarHBondContact SG-SG 3.27Å; C106-I156 HydrophobicContact CB-CD1 3.09Å; C106-I156 VanDerWaalsContact SG-CD1 3.57Å
107	A	89.3	Confident	86.9	Confident	24 Å²	24	52 Å²	52	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-51.9	-41.9	179.1	0	0	0	0	0	113	Y91 M95 H103 L111	Y91-A107 WeakPolarHBondContact CE2-O 3.28Å; Y91-A107 WeakPolarHBondContact OH-CB 3.32Å; M95-A107 HydrophobicContact CE-CB 4.13Å; H103-A107 WeakPolarHBondContact O-CB 3.44Å; H103-A107 PolarHBondContact O-N 3.05Å; A107-L111 WeakPolarHBondContact O-CB 3.17Å; A107-L111 PolarHBondContact O-N 2.98Å; A107-L111 VanDerWaalsContact O-N 3.1Å
108	G	90.4	Very high	86.9	Confident	39 Å²	39	47.6 Å²	47.6	40%	0.402	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-50.9	178.6	0	0	0	0	0	112.5	C106 V110 L111 E112	C106-G108 PolarHBondContact O-N 3.15Å; G108-V110 VanDerWaalsContact C-N 3.35Å; G108-V110 PolarHBondContact O-N 2.85Å; G108-L111 WeakPolarHBondContact O-CB 3.46Å; G108-L111 PolarHBondContact O-N 3.13Å; G108-E112 WeakPolarHBondContact O-CB 3.27Å; G108-E112 WeakPolarHBondContact O-CG 3.35Å; G108-E112 PolarHBondContact O-N 3.28Å
109	F	92.6	Very high	87.1	Confident	24 Å²	24	45.9 Å²	45.9	11%	0.105	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-45.2	178	-73.6	-77.8	0	0	0	112.4	C106 E112 L113 Y145 Q148 F149 Q152	C106-F109 PolarHBondContact O-N 2.96Å; F109-E112 PolarHBondContact O-N 2.96Å; F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 WeakPolarHBondContact O-CG 3.47Å; F109-L113 PolarHBondContact O-N 2.98Å; F109-Y145 HydrophobicContact CD1-CE1 4.13Å; F109-Y145 AromaticContact CD1-CE2 3.98Å; F109-Y145 HydrophobicContact CD1-CE2 3.98Å; F109-Y145 AromaticContact CD1-CZ 3.5Å; F109-Y145 VanDerWaalsContact CD1-CZ 3.5Å; F109-Y145 WeakPolarHBondContact CD1-OH 3.37Å; F109-Y145 HydrophobicContact CE1-CD2 4.24Å; F109-Y145 HydrophobicContact CE1-CE1 4.28Å; F109-Y145 AromaticContact CE1-CE2 3.55Å; F109-Y145 HydrophobicContact CE1-CE2 3.55Å; F109-Y145 AromaticContact CE1-CZ 3.57Å; F109-Q148 HydrophobicContact CZ-CB 4.31Å; F109-F149 HydrophobicContact CB-CD2 3.68Å; F109-F149 HydrophobicContact CB-CE2 4.02Å; F109-F149 HydrophobicContact CD1-CB 3.85Å; F109-F149 AromaticContact CD1-CD2 3.74Å; F109-F149 HydrophobicContact CD1-CD2 3.74Å; F109-F149 HydrophobicContact CD1-CG 4.25Å; F109-F149 HydrophobicContact CE1-CB 3.92Å; F109-F149 AromaticContact CG-CD2 3.76Å; F109-F149 HydrophobicContact CG-CD2 3.76Å; F109-Q152 HydrophobicContact CE2-CB 4.39Å
110	V	92.1	Very high	87	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-43.1	-179.8	179.4	0	0	0	0	111.1	Y91 I94 M95 C106 G108 L114 I156 L160	Y91-V110 HydrophobicContact CD2-CB 4.23Å; Y91-V110 HydrophobicContact CD2-CG1 3.76Å; Y91-V110 HydrophobicContact CE2-CB 4.13Å; Y91-V110 HydrophobicContact CE2-CG1 4.13Å; I94-V110 HydrophobicContact CD1-CG1 4.43Å; I94-V110 HydrophobicContact CG2-CG1 4.2Å; M95-V110 HydrophobicContact SD-CB 4.16Å; M95-V110 HydrophobicContact SD-CG1 4.31Å; M95-V110 HydrophobicContact SD-CG2 3.99Å; C106-V110 WeakPolarHBondContact O-CG2 2.79Å; C106-V110 PolarHBondContact O-N 2.87Å; G108-V110 VanDerWaalsContact C-N 3.35Å; G108-V110 PolarHBondContact O-N 2.85Å; V110-L114 HydrophobicContact CG1-CD1 3.9Å; V110-L114 HydrophobicContact CG1-CG 4.32Å; V110-L114 WeakPolarHBondContact O-CB 3.46Å; V110-L114 VanDerWaalsContact O-CG 3.24Å; V110-L114 WeakPolarHBondContact O-CG 3.15Å; V110-L114 PolarHBondContact O-N 2.8Å; V110-I156 HydrophobicContact CG2-CD1 3.92Å; V110-I156 HydrophobicContact CG2-CG2 3.84Å; V110-L160 HydrophobicContact CG1-CD2 4.36Å
111	L	93.1	Very high	87.2	Confident	54 Å²	54	35.9 Å²	35.9	28%	0.283	18%	0.184	S	C	.	.	H	α-helix	trans	-57.4	-52.7	174.5	171.6	67.2	0	0	0	110.8	F69 Y91 A107 G108 L113 L114 C115	F69-L111 HydrophobicContact CD1-CD1 4.12Å; F69-L111 HydrophobicContact CD2-CD1 3.98Å; F69-L111 HydrophobicContact CE1-CD1 3.55Å; F69-L111 HydrophobicContact CE2-CD1 3.41Å; F69-L111 VanDerWaalsContact CE2-CD1 3.41Å; F69-L111 HydrophobicContact CG-CD1 4.3Å; F69-L111 HydrophobicContact CZ-CD1 3.15Å; F69-L111 HydrophobicContact CZ-CG 4.46Å; Y91-L111 HydrophobicContact CD2-CB 4.37Å; Y91-L111 HydrophobicContact CE2-CB 4.03Å; A107-L111 WeakPolarHBondContact O-CB 3.17Å; A107-L111 PolarHBondContact O-N 2.98Å; A107-L111 VanDerWaalsContact O-N 3.1Å; G108-L111 WeakPolarHBondContact O-CB 3.46Å; G108-L111 PolarHBondContact O-N 3.13Å; L111-L113 PolarHBondContact O-N 2.89Å; L111-L114 PolarHBondContact O-N 3.32Å; L111-C115 WeakPolarHBondContact O-CB 3.32Å; L111-C115 PolarHBondContact O-N 3Å; L111-C115 PolarHBondContact O-SG 2.73Å
112	E	92.3	Very high	87.5	Confident	56 Å²	56	26.1 Å²	26.1	26%	0.262	15%	0.147	S	C	.	.	H	α-helix	trans	-62.1	-43.1	-177.1	-74.2	-177.7	-155.7	0	0	112.6	G108 F109 Q116 Y145 Y189	G108-E112 WeakPolarHBondContact O-CB 3.27Å; G108-E112 WeakPolarHBondContact O-CG 3.35Å; G108-E112 PolarHBondContact O-N 3.28Å; F109-E112 PolarHBondContact O-N 2.96Å; E112-Q116 WeakPolarHBondContact O-CG 3.29Å; E112-Q116 PolarHBondContact O-N 2.95Å; E112-Q116 PolarHBondContact O-NE2 2.89Å; E112-Y145 PolarHBondContact OE2-OH 2.86Å; E112-Y189 HydrophobicContact CB-CE1 4.22Å; E112-Y189 WeakPolarHBondContact CB-OH 2.99Å; E112-Y189 VanDerWaalsContact CD-OH 3.26Å; E112-Y189 WeakPolarHBondContact CG-OH 3.49Å; E112-Y189 WeakPolarHBondContact OE2-CE1 3.22Å; E112-Y189 PolarHBondContact OE2-OH 2.86Å
113	L	92.8	Very high	87.4	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-66.6	-43	178.8	-68.3	175.7	0	0	0	112.2	F109 L111 Q116 I138 P139 L141 Y145 F149 L160	F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 WeakPolarHBondContact O-CG 3.47Å; F109-L113 PolarHBondContact O-N 2.98Å; L111-L113 PolarHBondContact O-N 2.89Å; L113-Q116 WeakPolarHBondContact O-CB 3.21Å; L113-Q116 PolarHBondContact O-N 2.9Å; L113-I138 HydrophobicContact CD2-CG2 4.45Å; L113-P139 HydrophobicContact CD2-CG 3.76Å; L113-L141 HydrophobicContact CD2-CD1 4.15Å; L113-L141 HydrophobicContact CD2-CD2 3.5Å; L113-L141 VanDerWaalsContact CD2-CD2 3.5Å; L113-L141 HydrophobicContact CD2-CG 4.4Å; L113-Y145 HydrophobicContact CD2-CE1 4.38Å; L113-F149 HydrophobicContact CD1-CD2 4.1Å; L113-F149 HydrophobicContact CD1-CE1 4.25Å; L113-F149 HydrophobicContact CD1-CE2 3.68Å; L113-F149 HydrophobicContact CD1-CZ 3.77Å; L113-L160 HydrophobicContact CD1-CD1 3.94Å
114	L	92.3	Very high	87.3	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-41.1	177.5	-70.9	178.6	0	0	0	111.4	L87 R90 Y91 I94 V110 L111 Q116 E117 L160	L87-L114 HydrophobicContact CD2-CB 4.47Å; R90-L114 HydrophobicContact CG-CD1 4.48Å; R90-L114 HydrophobicContact CG-CD2 4.28Å; Y91-L114 HydrophobicContact CD2-CD1 4.34Å; I94-L114 HydrophobicContact CD1-CD1 4.34Å; I94-L114 HydrophobicContact CD1-CD2 4.47Å; V110-L114 HydrophobicContact CG1-CD1 3.9Å; V110-L114 HydrophobicContact CG1-CG 4.32Å; V110-L114 WeakPolarHBondContact O-CB 3.46Å; V110-L114 VanDerWaalsContact O-CG 3.24Å; V110-L114 WeakPolarHBondContact O-CG 3.15Å; V110-L114 PolarHBondContact O-N 2.8Å; L111-L114 PolarHBondContact O-N 3.32Å; L114-Q116 PolarHBondContact O-N 3.08Å; L114-E117 WeakPolarHBondContact O-CB 3.47Å; L114-E117 PolarHBondContact O-N 2.93Å; L114-E117 VanDerWaalsContact O-N 3.13Å; L114-L160 HydrophobicContact CD2-CD2 4.35Å
115	C	92.1	Very high	87.5	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.1	-11.9	179	-69.9	0	0	0	0	113.7	C70 M72 Y73 L111 E117 C118	C70-C115 WeakPolarHBondContact CA-SG 3.39Å; C70-C115 HydrophobicContact CB-CB 3.73Å; C70-C115 WeakPolarHBondContact CB-SG 3.27Å; C70-C115 WeakPolarHBondContact SG-CA 3.42Å; C70-C115 WeakPolarHBondContact SG-CB 3.29Å; C70-C115 CovalentContact SG-SG 2.04Å; C70-C115 PolarHBondContact SG-SG 3.25Å; M72-C115 HydrophobicContact SD-CB 4.31Å; Y73-C115 HydrophobicContact CD2-CB 4.09Å; Y73-C115 VanDerWaalsContact CD2-O 3.31Å; Y73-C115 WeakPolarHBondContact CD2-O 3.34Å; Y73-C115 HydrophobicContact CE2-CB 3.94Å; Y73-C115 WeakPolarHBondContact CE2-O 3.36Å; L111-C115 WeakPolarHBondContact O-CB 3.32Å; L111-C115 PolarHBondContact O-N 3Å; L111-C115 PolarHBondContact O-SG 2.73Å; C115-E117 PolarHBondContact O-N 2.87Å; C115-C118 WeakPolarHBondContact O-CA 3.38Å; C115-C118 VanDerWaalsContact O-CB 3.22Å; C115-C118 WeakPolarHBondContact O-CB 3.39Å; C115-C118 PolarHBondContact O-N 2.65Å
116	Q	90.4	Very high	87.7	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-61.8	-20.2	169.8	-65.3	-39.5	-66	0	0	112.7	Y73 E112 L113 L114 C118 S119 L125 F126 P139 Y189	Y73-Q116 PolarHBondContact OH-NE2 3.25Å; Y73-Q116 PolarHBondContact OH-OE1 3.48Å; E112-Q116 WeakPolarHBondContact O-CG 3.29Å; E112-Q116 PolarHBondContact O-N 2.95Å; E112-Q116 PolarHBondContact O-NE2 2.89Å; L113-Q116 WeakPolarHBondContact O-CB 3.21Å; L113-Q116 PolarHBondContact O-N 2.9Å; L114-Q116 PolarHBondContact O-N 3.08Å; Q116-C118 PolarHBondContact O-N 3.5Å; Q116-S119 WeakPolarHBondContact O-CB 3.38Å; Q116-S119 PolarHBondContact O-N 3.39Å; Q116-L125 HydrophobicContact CB-CD1 4.19Å; Q116-L125 HydrophobicContact CG-CD1 4.41Å; Q116-F126 HydrophobicContact CB-CE2 4.06Å; Q116-F126 HydrophobicContact CB-CZ 4.18Å; Q116-P139 HydrophobicContact CB-CB 3.83Å; Q116-P139 HydrophobicContact CB-CG 3.81Å; Q116-P139 HydrophobicContact CG-CB 3.93Å; Q116-P139 HydrophobicContact CG-CG 3.66Å; Q116-Y189 VanDerWaalsContact CD-CE2 3.44Å; Q116-Y189 HydrophobicContact CG-CD2 4.12Å; Q116-Y189 HydrophobicContact CG-CE2 4.49Å; Q116-Y189 HydrophobicContact CG-CG 4.28Å
117	E	88.1	Confident	87.1	Confident	8 Å²	8	17.2 Å²	17.2	4%	0.037	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-64.1	-17.3	170.9	-65.3	-172.5	-147.5	0	0	113.2	P52 K83 L87 R90 L114 C115 F126	P52-E117 HydrophobicContact CB-CB 3.88Å; P52-E117 HydrophobicContact CB-CG 4.02Å; P52-E117 HydrophobicContact CG-CB 4.46Å; P52-E117 HydrophobicContact CG-CG 4.05Å; K83-E117 WeakPolarHBondContact CE-OE2 3.49Å; K83-E117 IonicContact NZ-OE2 3.42Å; K83-E117 PolarHBondContact NZ-OE2 2.78Å; L87-E117 HydrophobicContact CD1-CB 4.27Å; L87-E117 HydrophobicContact CD2-CB 4.23Å; L87-E117 HydrophobicContact CD2-CG 4.31Å; R90-E117 IonicContact NH1-OE1 3.54Å; R90-E117 PolarHBondContact NH1-OE1 2.72Å; L114-E117 WeakPolarHBondContact O-CB 3.47Å; L114-E117 PolarHBondContact O-N 2.93Å; L114-E117 VanDerWaalsContact O-N 3.13Å; C115-E117 PolarHBondContact O-N 2.87Å; E117-F126 HydrophobicContact CG-CE2 4.14Å; E117-F126 HydrophobicContact CG-CZ 3.86Å
118	C	86.4	Confident	86.2	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-93.8	-7.5	173.4	-54.3	0	0	0	0	113.5	Y73 G77 C78 C79 L87 C115 Q116	Y73-C118 HydrophobicContact CD2-CB 3.7Å; Y73-C118 HydrophobicContact CE2-CB 4.5Å; Y73-C118 HydrophobicContact CG-CB 3.75Å; G77-C118 CarbonylContact C-O 3.47Å; G77-C118 WeakPolarHBondContact CA-O 3.23Å; C78-C118 PolarHBondContact N-O 2.91Å; C79-C118 HydrophobicContact CB-CB 3.57Å; C79-C118 WeakPolarHBondContact CB-SG 3.23Å; C79-C118 WeakPolarHBondContact SG-CA 3.48Å; C79-C118 WeakPolarHBondContact SG-CB 3.49Å; C79-C118 CovalentContact SG-SG 2.01Å; C79-C118 PolarHBondContact SG-SG 2.76Å; L87-C118 WeakPolarHBondContact CD1-SG 3.41Å; C115-C118 WeakPolarHBondContact O-CA 3.38Å; C115-C118 VanDerWaalsContact O-CB 3.22Å; C115-C118 WeakPolarHBondContact O-CB 3.39Å; C115-C118 PolarHBondContact O-N 2.65Å; Q116-C118 PolarHBondContact O-N 3.5Å
119	S	85.6	Confident	84.8	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-66	136.4	-177.9	179.9	0	0	0	0	110.9	C54 Y73 Q116 F121 A122	C54-S119 PolarHBondContact SG-O 3.02Å; Y73-S119 VanDerWaalsContact CE1-CA 3.44Å; Q116-S119 WeakPolarHBondContact O-CB 3.38Å; Q116-S119 PolarHBondContact O-N 3.39Å; S119-F121 PolarHBondContact O-N 3.22Å; S119-F121 PolarHBondContact OG-N 3.19Å; S119-A122 VanDerWaalsContact O-CB 3.22Å; S119-A122 WeakPolarHBondContact O-CB 3.3Å; S119-A122 PolarHBondContact O-N 3.47Å
120	P	80.4	Confident	83.1	Confident	11 Å²	11	20.8 Å²	20.8	7%	0.071	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.9	174.2	29.8	-36.4	0	0	0	113	P60 F76 L202	P60-P120 HydrophobicContact CB-CB 4.12Å; F76-P120 HydrophobicContact CD2-CG 4Å; F76-P120 WeakPolarHBondContact O-CB 3.15Å; F76-P120 WeakPolarHBondContact O-CD 3.26Å; F76-P120 VanDerWaalsContact O-CG 3.29Å; F76-P120 WeakPolarHBondContact O-CG 3.39Å; P120-L202 HydrophobicContact CB-CD2 4.34Å; P120-L202 HydrophobicContact CG-CD1 4.32Å; P120-L202 HydrophobicContact CG-CD2 4.35Å
121	F	81.9	Confident	81.4	Confident	20 Å²	20	27 Å²	27	9%	0.088	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	19.4	174.9	-50.6	-74.7	0	0	0	112.6	S119 A123 H124 L125 Y187 L192 L198 N199 L202	S119-F121 PolarHBondContact O-N 3.22Å; S119-F121 PolarHBondContact OG-N 3.19Å; F121-A123 PolarHBondContact O-N 3.32Å; F121-H124 PolarHBondContact O-N 2.87Å; F121-L125 WeakPolarHBondContact O-CB 3.44Å; F121-L125 WeakPolarHBondContact O-CG 3.47Å; F121-L125 PolarHBondContact O-N 2.8Å; F121-Y187 HydrophobicContact CB-CD1 4.32Å; F121-Y187 AromaticContact CD1-CD1 3.9Å; F121-Y187 HydrophobicContact CD1-CD1 3.9Å; F121-Y187 AromaticContact CD1-CE1 3.66Å; F121-Y187 HydrophobicContact CD1-CE1 3.66Å; F121-Y187 HydrophobicContact CE1-CE1 4.03Å; F121-Y187 HydrophobicContact CG-CD1 4.25Å; F121-Y187 HydrophobicContact CG-CE1 4.46Å; F121-L192 HydrophobicContact CD2-CD1 3.74Å; F121-L192 HydrophobicContact CE2-CD1 4.23Å; F121-L198 HydrophobicContact CE1-CB 4.49Å; F121-L198 HydrophobicContact CZ-CB 4.01Å; F121-N199 WeakPolarHBondContact CE2-OD1 3.36Å; F121-L202 HydrophobicContact CE2-CD1 4.3Å; F121-L202 HydrophobicContact CZ-CD1 4.2Å; F121-L202 HydrophobicContact CZ-CD2 4.16Å
122	A	83.8	Confident	79.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-28.6	-179.1	0	0	0	0	0	112	P52 C54 S119 L125 F126	P52-A122 HydrophobicContact CB-CB 4.01Å; C54-A122 HydrophobicContact CB-CB 3.95Å; S119-A122 VanDerWaalsContact O-CB 3.22Å; S119-A122 WeakPolarHBondContact O-CB 3.3Å; S119-A122 PolarHBondContact O-N 3.47Å; A122-L125 PolarHBondContact O-N 2.75Å; A122-F126 HydrophobicContact CB-CD2 4.14Å; A122-F126 HydrophobicContact CB-CE2 4.4Å; A122-F126 WeakPolarHBondContact O-CB 3.26Å; A122-F126 VanDerWaalsContact O-CD2 3.27Å; A122-F126 WeakPolarHBondContact O-CD2 3.47Å; A122-F126 PolarHBondContact O-N 3.47Å
123	A	77.6	Confident	78.1	Confident	22 Å²	22	28.4 Å²	28.4	18%	0.182	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-56.1	174.2	0	0	0	0	0	112.3	L55 F121 L125 F126 D127 A128 E129	L55-A123 HydrophobicContact CD2-CB 3.9Å; F121-A123 PolarHBondContact O-N 3.32Å; A123-L125 PolarHBondContact O-N 3.24Å; A123-F126 PolarHBondContact O-N 3.49Å; A123-D127 PolarHBondContact O-N 3.13Å; A123-A128 PolarHBondContact O-N 2.99Å; A123-E129 HydrophobicContact CB-CG 3.57Å
124	H	79	Confident	76.9	Confident	47 Å²	47	33 Å²	33	22%	0.218	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-46.1	171.1	-65.1	-70.2	0	0	0	113.1	F121 F126 D127 E129 Y187	F121-H124 PolarHBondContact O-N 2.87Å; H124-F126 PolarHBondContact O-N 3.45Å; H124-D127 PolarHBondContact O-N 3.46Å; H124-E129 IonicContact CD2-OE1 2.78Å; H124-E129 PolarHBondContact CD2-OE1 3.41Å; H124-E129 IonicContact CE1-OE1 2.75Å; H124-E129 PolarHBondContact CE1-OE1 3.3Å; H124-E129 IonicContact CE1-OE2 2.71Å; H124-E129 PolarHBondContact CE1-OE2 3.42Å; H124-E129 IonicContact CG-OE1 2.79Å; H124-E129 IonicContact CG-OE2 3.82Å; H124-E129 PolarHBondContact N-OE1 3.48Å; H124-E129 IonicContact ND1-OE1 3.48Å; H124-E129 PolarHBondContact ND1-OE1 3.34Å; H124-E129 IonicContact ND1-OE2 2.73Å; H124-E129 PolarHBondContact ND1-OE2 3.11Å; H124-E129 IonicContact NE2-OE1 3.83Å; H124-E129 PolarHBondContact NE2-OE1 2.88Å; H124-Y187 HydrophobicContact CB-CD1 4.01Å; H124-Y187 HydrophobicContact CB-CG 4.05Å; H124-Y187 AromaticContact CD2-CD1 3.54Å; H124-Y187 AromaticContact CD2-CE1 3.38Å; H124-Y187 WeakPolarHBondContact CD2-CE1 3.28Å; H124-Y187 AromaticContact CD2-CZ 3.93Å; H124-Y187 AromaticContact CE1-CZ 3.92Å; H124-Y187 AromaticContact CG-CD1 3.76Å; H124-Y187 AromaticContact CG-CE1 3.98Å; H124-Y187 AromaticContact CG-CG 3.99Å; H124-Y187 AromaticContact NE2-CE1 3.51Å; H124-Y187 AromaticContact NE2-CZ 3.61Å
125	L	87.4	Confident	76.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-29.1	-174.9	-76.7	167.9	0	0	0	113.2	Q116 F121 A122 A123 P139 G140 L182 Y187 L192	Q116-L125 HydrophobicContact CB-CD1 4.19Å; Q116-L125 HydrophobicContact CG-CD1 4.41Å; F121-L125 WeakPolarHBondContact O-CB 3.44Å; F121-L125 WeakPolarHBondContact O-CG 3.47Å; F121-L125 PolarHBondContact O-N 2.8Å; A122-L125 PolarHBondContact O-N 2.75Å; A123-L125 PolarHBondContact O-N 3.24Å; L125-P139 HydrophobicContact CB-CB 4.08Å; L125-P139 HydrophobicContact CD2-CB 4.31Å; L125-P139 CarbonylContact O-C 3.55Å; L125-P139 WeakPolarHBondContact O-CA 3.45Å; L125-G140 WeakPolarHBondContact CD2-O 3.28Å; L125-G140 PolarHBondContact O-N 2.68Å; L125-L182 HydrophobicContact CD2-CD1 4.39Å; L125-Y187 VanDerWaalsContact CD2-O 3.23Å; L125-Y187 WeakPolarHBondContact CD2-O 3.34Å; L125-L192 HydrophobicContact CD1-CD2 3.91Å; L125-L192 HydrophobicContact CD2-CD2 3.66Å; L125-L192 HydrophobicContact CG-CD2 4.12Å
126	F	86	Confident	75.6	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.018	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	14.2	-176.9	-68.2	-83.5	0	0	0	113.5	P52 Q116 E117 A122 A123 H124 A128 R136 P139	P52-F126 HydrophobicContact CB-CD2 4.31Å; P52-F126 HydrophobicContact CB-CE2 4.44Å; P52-F126 HydrophobicContact CG-CB 4.25Å; P52-F126 HydrophobicContact CG-CD1 4.33Å; P52-F126 HydrophobicContact CG-CD2 3.47Å; P52-F126 VanDerWaalsContact CG-CD2 3.47Å; P52-F126 HydrophobicContact CG-CE2 3.8Å; P52-F126 HydrophobicContact CG-CG 3.77Å; P52-F126 HydrophobicContact CG-CZ 4.34Å; Q116-F126 HydrophobicContact CB-CE2 4.06Å; Q116-F126 HydrophobicContact CB-CZ 4.18Å; E117-F126 HydrophobicContact CG-CE2 4.14Å; E117-F126 HydrophobicContact CG-CZ 3.86Å; A122-F126 HydrophobicContact CB-CD2 4.14Å; A122-F126 HydrophobicContact CB-CE2 4.4Å; A122-F126 WeakPolarHBondContact O-CB 3.26Å; A122-F126 VanDerWaalsContact O-CD2 3.27Å; A122-F126 WeakPolarHBondContact O-CD2 3.47Å; A122-F126 PolarHBondContact O-N 3.47Å; A123-F126 PolarHBondContact O-N 3.49Å; H124-F126 PolarHBondContact O-N 3.45Å; F126-A128 VanDerWaalsContact C-N 3.28Å; F126-A128 PolarHBondContact O-N 3.39Å; F126-R136 HydrophobicContact CD1-CB 4.31Å; F126-R136 WeakPolarHBondContact CD1-O 3.5Å; F126-R136 PolarHBondContact O-N 3.26Å; F126-P139 HydrophobicContact CE1-CB 4.09Å; F126-P139 HydrophobicContact CE1-CG 4.47Å; F126-P139 HydrophobicContact CE2-CB 4.13Å; F126-P139 HydrophobicContact CZ-CB 3.82Å; F126-P139 HydrophobicContact CZ-CG 4.18Å
127	D	76.2	Confident	75.3	Confident	43 Å²	43	41.1 Å²	41.1	23%	0.23	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	47.5	-175	-68.5	-11.8	0	0	0	112.6	A123 H124 T133 R136 L182	A123-D127 PolarHBondContact O-N 3.13Å; H124-D127 PolarHBondContact O-N 3.46Å; D127-T133 HydrophobicContact CB-CG2 3.67Å; D127-R136 HydrophobicContact CB-CG 4.2Å; D127-R136 VanDerWaalsContact CG-NE 3.29Å; D127-R136 IonicContact OD1-NE 3.92Å; D127-R136 IonicContact OD1-NH2 3.84Å; D127-R136 IonicContact OD2-CZ 3.91Å; D127-R136 IonicContact OD2-NE 3.72Å; D127-R136 PolarHBondContact OD2-NE 3.16Å; D127-R136 IonicContact OD2-NH2 3.88Å; D127-R136 PolarHBondContact OD2-NH2 3.24Å; D127-L182 WeakPolarHBondContact OD1-CD2 3.05Å
128	A	69.8	Low	75.3	Confident	21 Å²	21	40.8 Å²	40.8	17%	0.174	24%	0.239	C	C	.	.			trans	-110.3	6.8	-169.5	0	0	0	0	0	114.3	L55 A123 F126 L135	L55-A128 HydrophobicContact CB-CB 4.42Å; L55-A128 HydrophobicContact CD1-CB 3.32Å; L55-A128 HydrophobicContact CD2-CB 3.22Å; L55-A128 HydrophobicContact CG-CB 3.79Å; A123-A128 PolarHBondContact O-N 2.99Å; F126-A128 VanDerWaalsContact C-N 3.28Å; F126-A128 PolarHBondContact O-N 3.39Å; A128-L135 HydrophobicContact CB-CD2 3.14Å
129	E	60.4	Low	75.6	Confident	97 Å²	97	41 Å²	41	45%	0.453	24%	0.24	S	C	.	.	S	Bend	trans	-80.9	-29	-179.8	-62.9	-175.6	151	0	0	112	A123 H124	A123-E129 HydrophobicContact CB-CG 3.57Å; H124-E129 IonicContact CD2-OE1 2.78Å; H124-E129 PolarHBondContact CD2-OE1 3.41Å; H124-E129 IonicContact CE1-OE1 2.75Å; H124-E129 PolarHBondContact CE1-OE1 3.3Å; H124-E129 IonicContact CE1-OE2 2.71Å; H124-E129 PolarHBondContact CE1-OE2 3.42Å; H124-E129 IonicContact CG-OE1 2.79Å; H124-E129 IonicContact CG-OE2 3.82Å; H124-E129 PolarHBondContact N-OE1 3.48Å; H124-E129 IonicContact ND1-OE1 3.48Å; H124-E129 PolarHBondContact ND1-OE1 3.34Å; H124-E129 IonicContact ND1-OE2 2.73Å; H124-E129 PolarHBondContact ND1-OE2 3.11Å; H124-E129 IonicContact NE2-OE1 3.83Å; H124-E129 PolarHBondContact NE2-OE1 2.88Å
130	D	57.4	Low	75.9	Confident	45 Å²	45	41 Å²	41	24%	0.241	24%	0.24	C	C	.	.	S	Bend	trans	-107.1	115.1	176.1	176.3	5.9	0	0	0	109	S132 T133	D130-S132 PolarHBondContact O-N 3.43Å; D130-S132 WeakPolarHBondContact OD1-CA 3.47Å; D130-S132 VanDerWaalsContact OD1-CB 3.26Å; D130-S132 WeakPolarHBondContact OD1-CB 3.3Å; D130-S132 PolarHBondContact OD1-N 3.43Å; D130-S132 PolarHBondContact OD1-OG 2.78Å; D130-S132 PolarHBondContact OD2-OG 2.62Å; D130-T133 PolarHBondContact O-N 3.46Å; D130-T133 PolarHBondContact OD2-OG1 2.92Å
131	P	55.7	Low	76.6	Confident	130 Å²	130	40.5 Å²	40.5	84%	0.844	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.7	177.6	25.5	-32.7	0	0	0	113.2
132	S	52.3	Low	77.2	Confident	89 Å²	89	39.6 Å²	39.6	62%	0.622	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.8	175.9	86.3	0	0	0	0	113.8	D130	D130-S132 PolarHBondContact O-N 3.43Å; D130-S132 WeakPolarHBondContact OD1-CA 3.47Å; D130-S132 VanDerWaalsContact OD1-CB 3.26Å; D130-S132 WeakPolarHBondContact OD1-CB 3.3Å; D130-S132 PolarHBondContact OD1-N 3.43Å; D130-S132 PolarHBondContact OD1-OG 2.78Å; D130-S132 PolarHBondContact OD2-OG 2.62Å
133	T	63.8	Low	77.6	Confident	50 Å²	50	43.2 Å²	43.2	31%	0.307	26%	0.256	S	S	.	.	S	Bend	trans	-89.7	128.4	177.2	-62.6	0	0	0	0	110.6	D127 D130 L135	D127-T133 HydrophobicContact CB-CG2 3.67Å; D130-T133 PolarHBondContact O-N 3.46Å; D130-T133 PolarHBondContact OD2-OG1 2.92Å; T133-L135 PolarHBondContact O-N 3.08Å
134	P	68.9	Low	78.3	Confident	103 Å²	103	45.6 Å²	45.6	67%	0.669	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-61.3	121.5	176.4	-23.9	34	0	0	0	111.5	R136	P134-R136 PolarHBondContact O-N 3.04Å
135	L	73.8	Confident	79.1	Confident	75 Å²	75	44.2 Å²	44.2	39%	0.393	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-57.5	131	-179.2	-66.9	159.5	0	0	0	111.8	H51 L55 A128 T133	H51-L135 WeakPolarHBondContact CD2-CD1 3.4Å; H51-L135 WeakPolarHBondContact NE2-CB 3.39Å; H51-L135 WeakPolarHBondContact NE2-CD1 3.45Å; L55-L135 HydrophobicContact CD1-CD2 3.95Å; A128-L135 HydrophobicContact CB-CD2 3.14Å; T133-L135 PolarHBondContact O-N 3.08Å
136	R	82	Confident	79.5	Confident	45 Å²	45	44.2 Å²	44.2	17%	0.17	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-71.6	151.4	175.2	-57.9	-173.4	174.8	-153.1	0.9	110.5	F126 D127 P134 I138 L179 L180 E181	F126-R136 HydrophobicContact CD1-CB 4.31Å; F126-R136 WeakPolarHBondContact CD1-O 3.5Å; F126-R136 PolarHBondContact O-N 3.26Å; D127-R136 HydrophobicContact CB-CG 4.2Å; D127-R136 VanDerWaalsContact CG-NE 3.29Å; D127-R136 IonicContact OD1-NE 3.92Å; D127-R136 IonicContact OD1-NH2 3.84Å; D127-R136 IonicContact OD2-CZ 3.91Å; D127-R136 IonicContact OD2-NE 3.72Å; D127-R136 PolarHBondContact OD2-NE 3.16Å; D127-R136 IonicContact OD2-NH2 3.88Å; D127-R136 PolarHBondContact OD2-NH2 3.24Å; P134-R136 PolarHBondContact O-N 3.04Å; R136-I138 VanDerWaalsContact CB-O 3.31Å; R136-I138 WeakPolarHBondContact CB-O 3.48Å; R136-L179 PolarHBondContact NH1-O 2.95Å; R136-L180 VanDerWaalsContact NH1-CA 3.27Å; R136-L180 PolarHBondContact NH1-O 2.84Å; R136-E181 PolarHBondContact NH1-O 3.05Å; R136-E181 PolarHBondContact NH2-O 2.75Å
137	T	83.9	Confident	79.8	Confident	53 Å²	53	46 Å²	46	33%	0.325	27%	0.272	S	S	.	.	S	Bend	trans	-101.4	-16.5	173.7	41	0	0	0	0	112.6	S161	T137-S161 WeakPolarHBondContact CB-OG 3.43Å; T137-S161 VanDerWaalsContact OG1-CB 3.29Å; T137-S161 WeakPolarHBondContact OG1-CB 3.4Å; T137-S161 PolarHBondContact OG1-OG 2.94Å
138	I	89.4	Confident	80.7	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	-124.6	134.8	172.6	-60.5	-179.3	0	0	0	106.1	L113 R136 L160 L166 L180	L113-I138 HydrophobicContact CD2-CG2 4.45Å; R136-I138 VanDerWaalsContact CB-O 3.31Å; R136-I138 WeakPolarHBondContact CB-O 3.48Å; I138-L160 HydrophobicContact CD1-CB 4.09Å; I138-L160 HydrophobicContact CG1-CB 4.24Å; I138-L166 HydrophobicContact CD1-CD1 4.31Å; I138-L180 HydrophobicContact CB-CD2 3.91Å; I138-L180 HydrophobicContact CG2-CD1 3.87Å; I138-L180 HydrophobicContact CG2-CD2 4.03Å
139	P	91.7	Very high	81.8	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.019	27%	0.274	C	S	.	.			trans	-62.2	155.6	-179.3	27.6	-36.8	0	0	0	111.5	L113 Q116 L125 F126 L141	L113-P139 HydrophobicContact CD2-CG 3.76Å; Q116-P139 HydrophobicContact CB-CB 3.83Å; Q116-P139 HydrophobicContact CB-CG 3.81Å; Q116-P139 HydrophobicContact CG-CB 3.93Å; Q116-P139 HydrophobicContact CG-CG 3.66Å; L125-P139 HydrophobicContact CB-CB 4.08Å; L125-P139 HydrophobicContact CD2-CB 4.31Å; L125-P139 CarbonylContact O-C 3.55Å; L125-P139 WeakPolarHBondContact O-CA 3.45Å; F126-P139 HydrophobicContact CE1-CB 4.09Å; F126-P139 HydrophobicContact CE1-CG 4.47Å; F126-P139 HydrophobicContact CE2-CB 4.13Å; F126-P139 HydrophobicContact CZ-CB 3.82Å; F126-P139 HydrophobicContact CZ-CG 4.18Å; P139-L141 HydrophobicContact CG-CD2 4.24Å; P139-L141 WeakPolarHBondContact O-CD2 3.06Å; P139-L141 WeakPolarHBondContact O-CG 3.13Å; P139-L141 PolarHBondContact O-N 3.25Å
140	G	92.8	Very high	83.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.258	C	S	.	.			trans	-59.2	126.1	172.3	0	0	0	0	0	112.1	L125 L180 Y189	L125-G140 WeakPolarHBondContact CD2-O 3.28Å; L125-G140 PolarHBondContact O-N 2.68Å; G140-L180 CarbonylContact C-O 3.38Å; G140-L180 VanDerWaalsContact CA-O 3.24Å; G140-L180 WeakPolarHBondContact CA-O 3.31Å; G140-Y189 PolarHBondContact O-N 2.73Å
141	L	94.9	Very high	85	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-113.7	140.9	-173.8	-57.3	-173.5	0	0	0	111.2	L113 P139 Y145 C146 F149 L180 Y189	L113-L141 HydrophobicContact CD2-CD1 4.15Å; L113-L141 HydrophobicContact CD2-CD2 3.5Å; L113-L141 VanDerWaalsContact CD2-CD2 3.5Å; L113-L141 HydrophobicContact CD2-CG 4.4Å; P139-L141 HydrophobicContact CG-CD2 4.24Å; P139-L141 WeakPolarHBondContact O-CD2 3.06Å; P139-L141 WeakPolarHBondContact O-CG 3.13Å; P139-L141 PolarHBondContact O-N 3.25Å; L141-Y145 HydrophobicContact CD1-CD1 4.3Å; L141-Y145 HydrophobicContact CD2-CD1 4.05Å; L141-Y145 HydrophobicContact CD2-CE1 4.18Å; L141-C146 HydrophobicContact CB-CB 3.88Å; L141-C146 HydrophobicContact CD1-CB 4.22Å; L141-F149 HydrophobicContact CD1-CD1 4.37Å; L141-L180 HydrophobicContact CB-CB 4.49Å; L141-L180 HydrophobicContact CD1-CD1 3.83Å; L141-L180 HydrophobicContact CG-CD1 4.23Å; L141-L180 PolarHBondContact N-O 2.82Å; L141-Y189 HydrophobicContact CD2-CD1 4.28Å
142	C	94.6	Very high	86.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.			trans	-64.5	145.2	169.8	-56.5	0	0	0	0	110.1	D144 Y145 C146 C188 Y189 H191	C142-D144 VanDerWaalsContact C-N 3.29Å; C142-D144 WeakPolarHBondContact CB-OD1 3.21Å; C142-D144 PolarHBondContact O-N 3.22Å; C142-Y145 PolarHBondContact O-N 2.65Å; C142-Y145 VanDerWaalsContact O-N 3.13Å; C142-C146 WeakPolarHBondContact O-CB 3.36Å; C142-C146 PolarHBondContact O-N 2.74Å; C142-C188 WeakPolarHBondContact CA-SG 3.26Å; C142-C188 HydrophobicContact CB-CB 3.99Å; C142-C188 WeakPolarHBondContact CB-SG 3.46Å; C142-C188 WeakPolarHBondContact SG-CB 3.32Å; C142-C188 PolarHBondContact SG-O 3.3Å; C142-C188 CovalentContact SG-SG 2.04Å; C142-C188 PolarHBondContact SG-SG 3.07Å; C142-Y189 PolarHBondContact N-O 3.42Å; C142-Y189 PolarHBondContact SG-O 2.84Å; C142-Y189 VanDerWaalsContact SG-O 3.35Å; C142-H191 VanDerWaalsContact SG-CB 3.56Å
143	P	92.4	Very high	88.4	Confident	76 Å²	76	41.2 Å²	41.2	49%	0.494	22%	0.224	S	C	.	.	H	α-helix	trans	-56.3	-37.7	-173	-28.9	35.4	0	0	0	114.9	S147	P143-S147 WeakPolarHBondContact O-CB 3.4Å; P143-S147 PolarHBondContact O-N 3.18Å; P143-S147 VanDerWaalsContact O-N 3.07Å; P143-S147 PolarHBondContact O-OG 2.86Å
144	D	92.8	Very high	89.5	Confident	73 Å²	73	44.2 Å²	44.2	39%	0.39	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-46.4	177.5	60.8	-34.1	0	0	0	111.9	C142 S147 Q148 H191	C142-D144 VanDerWaalsContact C-N 3.29Å; C142-D144 WeakPolarHBondContact CB-OD1 3.21Å; C142-D144 PolarHBondContact O-N 3.22Å; D144-S147 PolarHBondContact O-N 3.25Å; D144-Q148 WeakPolarHBondContact O-CG 3.32Å; D144-Q148 PolarHBondContact O-N 2.91Å; D144-H191 IonicContact OD1-CE1 3.82Å; D144-H191 IonicContact OD1-NE2 3.73Å; D144-H191 PolarHBondContact OD1-NE2 2.82Å; D144-H191 IonicContact OD2-CE1 2.68Å; D144-H191 IonicContact OD2-NE2 3.64Å; D144-H191 PolarHBondContact OD2-NE2 3.21Å
145	Y	94.6	Very high	90.3	Very high	17 Å²	17	42.8 Å²	42.8	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-42.2	178.2	-173.7	-101.2	0	0	0	112	F109 E112 L113 L141 C142 S147 Q148 F149 Y189 P190	F109-Y145 HydrophobicContact CD1-CE1 4.13Å; F109-Y145 AromaticContact CD1-CE2 3.98Å; F109-Y145 HydrophobicContact CD1-CE2 3.98Å; F109-Y145 AromaticContact CD1-CZ 3.5Å; F109-Y145 VanDerWaalsContact CD1-CZ 3.5Å; F109-Y145 WeakPolarHBondContact CD1-OH 3.37Å; F109-Y145 HydrophobicContact CE1-CD2 4.24Å; F109-Y145 HydrophobicContact CE1-CE1 4.28Å; F109-Y145 AromaticContact CE1-CE2 3.55Å; F109-Y145 HydrophobicContact CE1-CE2 3.55Å; F109-Y145 AromaticContact CE1-CZ 3.57Å; E112-Y145 PolarHBondContact OE2-OH 2.86Å; L113-Y145 HydrophobicContact CD2-CE1 4.38Å; L141-Y145 HydrophobicContact CD1-CD1 4.3Å; L141-Y145 HydrophobicContact CD2-CD1 4.05Å; L141-Y145 HydrophobicContact CD2-CE1 4.18Å; C142-Y145 PolarHBondContact O-N 2.65Å; C142-Y145 VanDerWaalsContact O-N 3.13Å; Y145-S147 VanDerWaalsContact C-N 3.29Å; Y145-S147 PolarHBondContact O-N 3.3Å; Y145-Q148 PolarHBondContact O-N 2.98Å; Y145-F149 WeakPolarHBondContact O-CB 3.47Å; Y145-F149 PolarHBondContact O-N 2.83Å; Y145-Y189 AromaticContact CD1-CD1 4Å; Y145-Y189 HydrophobicContact CD1-CD1 4Å; Y145-Y189 HydrophobicContact CD1-CE1 4.35Å; Y145-Y189 AromaticContact CE1-CD1 3.66Å; Y145-Y189 HydrophobicContact CE1-CD1 3.66Å; Y145-Y189 AromaticContact CE1-CE1 3.7Å; Y145-Y189 HydrophobicContact CE1-CE1 3.7Å; Y145-Y189 HydrophobicContact CE2-CE1 4.24Å; Y145-Y189 AromaticContact CZ-CE1 3.63Å; Y145-P190 VanDerWaalsContact CB-CD 3.49Å; Y145-P190 HydrophobicContact CD2-CG 4.04Å; Y145-P190 HydrophobicContact CG-CG 4.3Å
146	C	95	Very high	90.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-43.6	174.4	-179.6	0	0	0	0	111.7	L141 C142 Q148 F149 W150 C177	L141-C146 HydrophobicContact CB-CB 3.88Å; L141-C146 HydrophobicContact CD1-CB 4.22Å; C142-C146 WeakPolarHBondContact O-CB 3.36Å; C142-C146 PolarHBondContact O-N 2.74Å; C146-Q148 VanDerWaalsContact C-N 3.31Å; C146-Q148 PolarHBondContact O-N 3.43Å; C146-F149 PolarHBondContact O-N 2.58Å; C146-W150 WeakPolarHBondContact O-CB 3.19Å; C146-W150 PolarHBondContact O-N 2.85Å; C146-C177 VanDerWaalsContact C-SG 3.52Å; C146-C177 HydrophobicContact CB-CB 3.89Å; C146-C177 WeakPolarHBondContact CB-SG 3.27Å; C146-C177 WeakPolarHBondContact SG-CA 3.2Å; C146-C177 WeakPolarHBondContact SG-CB 3.16Å; C146-C177 CovalentContact SG-SG 2.04Å; C146-C177 PolarHBondContact SG-SG 2.81Å
147	S	94.2	Very high	91.1	Very high	43 Å²	43	37.1 Å²	37.1	30%	0.301	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-39.4	178.8	-64.5	0	0	0	0	112.1	P143 D144 Y145 N151 Q173	P143-S147 WeakPolarHBondContact O-CB 3.4Å; P143-S147 PolarHBondContact O-N 3.18Å; P143-S147 VanDerWaalsContact O-N 3.07Å; P143-S147 PolarHBondContact O-OG 2.86Å; D144-S147 PolarHBondContact O-N 3.25Å; Y145-S147 VanDerWaalsContact C-N 3.29Å; Y145-S147 PolarHBondContact O-N 3.3Å; S147-N151 WeakPolarHBondContact O-CB 3.44Å; S147-N151 PolarHBondContact O-N 2.95Å; S147-N151 PolarHBondContact O-ND2 2.9Å; S147-Q173 PolarHBondContact O-NE2 2.85Å; S147-Q173 VanDerWaalsContact O-NE2 3.14Å
148	Q	93.9	Very high	91.3	Very high	95 Å²	95	37 Å²	37	44%	0.444	20%	0.196	S	C	.	.	H	α-helix	trans	-68	-47.7	176	-68.7	175.2	35.4	0	0	111.8	F109 D144 Y145 C146 W150 N151 Q152	F109-Q148 HydrophobicContact CZ-CB 4.31Å; D144-Q148 WeakPolarHBondContact O-CG 3.32Å; D144-Q148 PolarHBondContact O-N 2.91Å; Y145-Q148 PolarHBondContact O-N 2.98Å; C146-Q148 VanDerWaalsContact C-N 3.31Å; C146-Q148 PolarHBondContact O-N 3.43Å; Q148-W150 VanDerWaalsContact C-N 3.35Å; Q148-W150 PolarHBondContact O-N 2.85Å; Q148-N151 PolarHBondContact O-N 3.21Å; Q148-Q152 WeakPolarHBondContact O-CG 3.32Å; Q148-Q152 PolarHBondContact O-N 2.75Å; Q148-Q152 VanDerWaalsContact O-N 3.13Å
149	F	93.6	Very high	91.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.8	-47.7	176.8	171	-111.8	0	0	0	111.5	F109 L113 L141 Y145 C146 N151 Q152 C153 I157 L160 F176	F109-F149 HydrophobicContact CB-CD2 3.68Å; F109-F149 HydrophobicContact CB-CE2 4.02Å; F109-F149 HydrophobicContact CD1-CB 3.85Å; F109-F149 AromaticContact CD1-CD2 3.74Å; F109-F149 HydrophobicContact CD1-CD2 3.74Å; F109-F149 HydrophobicContact CD1-CG 4.25Å; F109-F149 HydrophobicContact CE1-CB 3.92Å; F109-F149 AromaticContact CG-CD2 3.76Å; F109-F149 HydrophobicContact CG-CD2 3.76Å; L113-F149 HydrophobicContact CD1-CD2 4.1Å; L113-F149 HydrophobicContact CD1-CE1 4.25Å; L113-F149 HydrophobicContact CD1-CE2 3.68Å; L113-F149 HydrophobicContact CD1-CZ 3.77Å; L141-F149 HydrophobicContact CD1-CD1 4.37Å; Y145-F149 WeakPolarHBondContact O-CB 3.47Å; Y145-F149 PolarHBondContact O-N 2.83Å; C146-F149 PolarHBondContact O-N 2.58Å; F149-N151 PolarHBondContact O-N 2.86Å; F149-Q152 PolarHBondContact O-N 3.04Å; F149-C153 HydrophobicContact CD2-CB 3.78Å; F149-C153 HydrophobicContact CE2-CB 3.63Å; F149-C153 HydrophobicContact CZ-CB 4.44Å; F149-C153 WeakPolarHBondContact O-CA 3.32Å; F149-C153 WeakPolarHBondContact O-CB 3.35Å; F149-C153 PolarHBondContact O-N 3.32Å; F149-I157 HydrophobicContact CE1-CG1 4.19Å; F149-I157 HydrophobicContact CZ-CG1 4.46Å; F149-L160 HydrophobicContact CE2-CD1 4.36Å; F149-L160 HydrophobicContact CZ-CD1 3.72Å; F149-F176 HydrophobicContact CD1-CE1 4.07Å; F149-F176 HydrophobicContact CD1-CZ 4.33Å; F149-F176 HydrophobicContact CE1-CE1 4.17Å; F149-F176 AromaticContact CE1-CZ 3.96Å; F149-F176 HydrophobicContact CE1-CZ 3.96Å
150	W	93.6	Very high	90.8	Very high	30 Å²	30	41.6 Å²	41.6	11%	0.114	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-45.5	179.5	-174.1	92.7	0	0	0	112.1	C146 Q148 Q152 R154 K170 Q173 F176	C146-W150 WeakPolarHBondContact O-CB 3.19Å; C146-W150 PolarHBondContact O-N 2.85Å; Q148-W150 VanDerWaalsContact C-N 3.35Å; Q148-W150 PolarHBondContact O-N 2.85Å; W150-Q152 VanDerWaalsContact C-N 3.31Å; W150-Q152 PolarHBondContact O-N 3.46Å; W150-R154 HydrophobicContact CG-CB 4.46Å; W150-R154 VanDerWaalsContact O-CB 3.29Å; W150-R154 WeakPolarHBondContact O-CB 3.32Å; W150-R154 PolarHBondContact O-N 3.3Å; W150-K170 PolarHBondContact NE1-O 2.92Å; W150-Q173 HydrophobicContact CB-CG 4.24Å; W150-Q173 HydrophobicContact CD2-CB 3.68Å; W150-Q173 HydrophobicContact CD2-CG 3.79Å; W150-Q173 HydrophobicContact CE3-CB 3.79Å; W150-Q173 HydrophobicContact CE3-CG 3.84Å; W150-Q173 HydrophobicContact CG-CB 4.19Å; W150-Q173 HydrophobicContact CG-CG 3.96Å; W150-Q173 HydrophobicContact CH2-CB 4.25Å; W150-Q173 HydrophobicContact CZ2-CB 4.14Å; W150-Q173 HydrophobicContact CZ3-CB 4.08Å; W150-F176 HydrophobicContact CB-CD1 4.39Å; W150-F176 AromaticContact CD1-CD1 3.63Å; W150-F176 AromaticContact CD1-CG 3.84Å; W150-F176 HydrophobicContact CG-CD1 4.37Å
151	N	90.8	Very high	90.4	Very high	94 Å²	94	41.7 Å²	41.7	50%	0.503	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-37.3	-178.9	-83.6	-39.6	0	0	0	112.9	S147 Q148 F149 Q173	S147-N151 WeakPolarHBondContact O-CB 3.44Å; S147-N151 PolarHBondContact O-N 2.95Å; S147-N151 PolarHBondContact O-ND2 2.9Å; Q148-N151 PolarHBondContact O-N 3.21Å; F149-N151 PolarHBondContact O-N 2.86Å; N151-Q173 PolarHBondContact ND2-NE2 2.86Å
152	Q	89.4	Confident	89.9	Confident	105 Å²	105	48 Å²	48	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-92.9	-30.7	-174.8	-62	-175	33.5	0	0	113	C106 F109 Q148 F149 W150	C106-Q152 PolarHBondContact SG-O 2.94Å; C106-Q152 VanDerWaalsContact SG-O 3.4Å; F109-Q152 HydrophobicContact CE2-CB 4.39Å; Q148-Q152 WeakPolarHBondContact O-CG 3.32Å; Q148-Q152 PolarHBondContact O-N 2.75Å; Q148-Q152 VanDerWaalsContact O-N 3.13Å; F149-Q152 PolarHBondContact O-N 3.04Å; W150-Q152 VanDerWaalsContact C-N 3.31Å; W150-Q152 PolarHBondContact O-N 3.46Å
153	C	89.4	Confident	89.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-137.6	15.5	-160.3	-61.7	0	0	0	0	115.6	C106 F149 S155 I156	C106-C153 WeakPolarHBondContact CA-SG 3.34Å; C106-C153 HydrophobicContact CB-CB 3.93Å; C106-C153 WeakPolarHBondContact CB-SG 3.34Å; C106-C153 WeakPolarHBondContact SG-CA 3.34Å; C106-C153 WeakPolarHBondContact SG-CB 3.35Å; C106-C153 CovalentContact SG-SG 2.04Å; C106-C153 PolarHBondContact SG-SG 3.27Å; F149-C153 HydrophobicContact CD2-CB 3.78Å; F149-C153 HydrophobicContact CE2-CB 3.63Å; F149-C153 HydrophobicContact CZ-CB 4.44Å; F149-C153 WeakPolarHBondContact O-CA 3.32Å; F149-C153 WeakPolarHBondContact O-CB 3.35Å; F149-C153 PolarHBondContact O-N 3.32Å; C153-S155 PolarHBondContact O-N 2.88Å; C153-I156 HydrophobicContact CB-CD1 4.17Å; C153-I156 WeakPolarHBondContact O-CB 3.26Å; C153-I156 PolarHBondContact O-N 2.9Å
154	R	87.9	Confident	89	Confident	113 Å²	113	54 Å²	54	43%	0.426	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-53.5	-26.5	179.3	63.7	174.6	-173.8	-90.1	-0.8	115.4	W150 I156 I157	W150-R154 HydrophobicContact CG-CB 4.46Å; W150-R154 VanDerWaalsContact O-CB 3.29Å; W150-R154 WeakPolarHBondContact O-CB 3.32Å; W150-R154 PolarHBondContact O-N 3.3Å; R154-I156 PolarHBondContact O-N 3.37Å; R154-I157 HydrophobicContact CB-CD1 4.01Å; R154-I157 WeakPolarHBondContact O-CD1 3.42Å; R154-I157 WeakPolarHBondContact O-CG1 3.47Å; R154-I157 PolarHBondContact O-N 3.49Å
155	S	85.4	Confident	88.7	Confident	73 Å²	73	52.3 Å²	52.3	51%	0.51	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-66	-16	176.9	52.9	0	0	0	0	113.9	C153	C153-S155 PolarHBondContact O-N 2.88Å
156	I	85.6	Confident	88.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-87.4	-20.4	-179.5	-72.7	161.4	0	0	0	112.6	I94 F98 C106 V110 C153 R154 P158 F159 L160	I94-I156 HydrophobicContact CG2-CG2 4.15Å; F98-I156 HydrophobicContact CD1-CG1 4.22Å; F98-I156 HydrophobicContact CD2-CG1 4.29Å; F98-I156 HydrophobicContact CE1-CD1 4.34Å; F98-I156 HydrophobicContact CE1-CG1 3.49Å; F98-I156 VanDerWaalsContact CE1-CG1 3.49Å; F98-I156 HydrophobicContact CE2-CD1 4.4Å; F98-I156 HydrophobicContact CE2-CG1 3.56Å; F98-I156 HydrophobicContact CZ-CB 4.07Å; F98-I156 HydrophobicContact CZ-CD1 4.23Å; F98-I156 HydrophobicContact CZ-CG1 3.13Å; C106-I156 HydrophobicContact CB-CD1 3.09Å; C106-I156 VanDerWaalsContact SG-CD1 3.57Å; V110-I156 HydrophobicContact CG2-CD1 3.92Å; V110-I156 HydrophobicContact CG2-CG2 3.84Å; C153-I156 HydrophobicContact CB-CD1 4.17Å; C153-I156 WeakPolarHBondContact O-CB 3.26Å; C153-I156 PolarHBondContact O-N 2.9Å; R154-I156 PolarHBondContact O-N 3.37Å; I156-P158 VanDerWaalsContact C-CD 3.43Å; I156-P158 VanDerWaalsContact C-N 3.33Å; I156-P158 VanDerWaalsContact O-N 3.15Å; I156-F159 WeakPolarHBondContact O-CA 3.28Å; I156-F159 WeakPolarHBondContact O-CB 3.5Å; I156-F159 PolarHBondContact O-N 3.33Å; I156-L160 HydrophobicContact CG2-CD1 3.62Å; I156-L160 HydrophobicContact CG2-CG 3.68Å; I156-L160 PolarHBondContact O-N 2.83Å
157	I	86.9	Confident	87.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-48.3	-46.4	-174.7	-65.1	164.1	0	0	0	113	F149 R154 F159 L160 S161 K170 F176	F149-I157 HydrophobicContact CE1-CG1 4.19Å; F149-I157 HydrophobicContact CZ-CG1 4.46Å; R154-I157 HydrophobicContact CB-CD1 4.01Å; R154-I157 WeakPolarHBondContact O-CD1 3.42Å; R154-I157 WeakPolarHBondContact O-CG1 3.47Å; R154-I157 PolarHBondContact O-N 3.49Å; I157-F159 PolarHBondContact O-N 2.9Å; I157-F159 VanDerWaalsContact O-N 3.14Å; I157-L160 PolarHBondContact O-N 3.22Å; I157-L160 VanDerWaalsContact O-N 3.09Å; I157-S161 PolarHBondContact O-N 2.84Å; I157-S161 VanDerWaalsContact O-N 3.08Å; I157-K170 HydrophobicContact CD1-CB 4.14Å; I157-F176 HydrophobicContact CD1-CD2 3.89Å; I157-F176 HydrophobicContact CD1-CE1 4.26Å; I157-F176 HydrophobicContact CD1-CE2 3.42Å; I157-F176 VanDerWaalsContact CD1-CE2 3.42Å; I157-F176 HydrophobicContact CD1-CG 4.49Å; I157-F176 HydrophobicContact CD1-CZ 3.63Å; I157-F176 HydrophobicContact CG1-CE2 3.85Å; I157-F176 HydrophobicContact CG1-CZ 3.89Å; I157-F176 HydrophobicContact CG2-CE2 3.92Å
158	P	87.3	Confident	87.6	Confident	51 Å²	51	57.9 Å²	57.9	33%	0.331	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-16.5	179.9	-20.9	34.6	0	0	0	115.2	I156 N167	I156-P158 VanDerWaalsContact C-CD 3.43Å; I156-P158 VanDerWaalsContact C-N 3.33Å; I156-P158 VanDerWaalsContact O-N 3.15Å; P158-N167 VanDerWaalsContact CA-OD1 3.29Å; P158-N167 WeakPolarHBondContact CA-OD1 3.23Å
159	F	86.8	Confident	87.3	Confident	92 Å²	92	53.3 Å²	53.3	40%	0.404	27%	0.269	S	S	.	.	H	α-helix	trans	-95.6	-17.6	177.1	-57.5	-83	0	0	0	112.4	I94 N97 F98 I156 I157	I94-F159 HydrophobicContact CG1-CB 4.39Å; I94-F159 HydrophobicContact CG2-CB 4.04Å; N97-F159 HydrophobicContact CB-CD1 4.46Å; N97-F159 HydrophobicContact CB-CE1 3.93Å; N97-F159 HydrophobicContact CB-CE2 4.47Å; N97-F159 HydrophobicContact CB-CZ 3.93Å; F98-F159 HydrophobicContact CE2-CD2 4.1Å; F98-F159 HydrophobicContact CE2-CE2 4.32Å; F98-F159 AromaticContact CZ-CD2 3.71Å; F98-F159 HydrophobicContact CZ-CD2 3.71Å; F98-F159 AromaticContact CZ-CE2 3.75Å; F98-F159 HydrophobicContact CZ-CE2 3.75Å; I156-F159 WeakPolarHBondContact O-CA 3.28Å; I156-F159 WeakPolarHBondContact O-CB 3.5Å; I156-F159 PolarHBondContact O-N 3.33Å; I157-F159 PolarHBondContact O-N 2.9Å; I157-F159 VanDerWaalsContact O-N 3.14Å
160	L	84.6	Confident	87	Confident	9 Å²	9	57 Å²	57	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-86.2	-34.5	173.9	-74.4	170.3	0	0	0	111.9	R90 I94 V110 L113 L114 I138 F149 I156 I157	R90-L160 PolarHBondContact NH2-O 3.46Å; R90-L160 VanDerWaalsContact NH2-O 3.13Å; I94-L160 HydrophobicContact CD1-CD2 3.92Å; V110-L160 HydrophobicContact CG1-CD2 4.36Å; L113-L160 HydrophobicContact CD1-CD1 3.94Å; L114-L160 HydrophobicContact CD2-CD2 4.35Å; I138-L160 HydrophobicContact CD1-CB 4.09Å; I138-L160 HydrophobicContact CG1-CB 4.24Å; F149-L160 HydrophobicContact CE2-CD1 4.36Å; F149-L160 HydrophobicContact CZ-CD1 3.72Å; I156-L160 HydrophobicContact CG2-CD1 3.62Å; I156-L160 HydrophobicContact CG2-CG 3.68Å; I156-L160 PolarHBondContact O-N 2.83Å; I157-L160 PolarHBondContact O-N 3.22Å; I157-L160 VanDerWaalsContact O-N 3.09Å
161	S	85.3	Confident	86.8	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.021	31%	0.309	C	S	.	.			trans	-143.7	133.1	-172.3	177.2	0	0	0	0	112.8	T137 I157 Y163 N167	T137-S161 WeakPolarHBondContact CB-OG 3.43Å; T137-S161 VanDerWaalsContact OG1-CB 3.29Å; T137-S161 WeakPolarHBondContact OG1-CB 3.4Å; T137-S161 PolarHBondContact OG1-OG 2.94Å; I157-S161 PolarHBondContact O-N 2.84Å; I157-S161 VanDerWaalsContact O-N 3.08Å; S161-Y163 VanDerWaalsContact C-N 3.28Å; S161-Y163 VanDerWaalsContact OG-CB 3.24Å; S161-Y163 WeakPolarHBondContact OG-CB 3.29Å; S161-Y163 PolarHBondContact OG-N 2.69Å; S161-N167 PolarHBondContact O-ND2 3.03Å
162	D	84.1	Confident	86.9	Confident	135 Å²	135	60.3 Å²	60.3	72%	0.722	31%	0.305	S	S	*	.			trans	-86.9	3.7	169.5	-67.2	-30.3	0	0	0	112.6	T164	D162-T164 PolarHBondContact O-N 2.98Å
163	Y	84.3	Confident	87.1	Confident	115 Å²	115	57.7 Å²	57.7	45%	0.451	29%	0.292	S	S	.	.			trans	-72.7	113.5	-175.3	-174.5	-127.7	0	0	0	111.3	S161 P165 L166 N167	S161-Y163 VanDerWaalsContact C-N 3.28Å; S161-Y163 VanDerWaalsContact OG-CB 3.24Å; S161-Y163 WeakPolarHBondContact OG-CB 3.29Å; S161-Y163 PolarHBondContact OG-N 2.69Å; Y163-P165 HydrophobicContact CD1-CB 4.25Å; Y163-P165 HydrophobicContact CD1-CG 4.3Å; Y163-P165 HydrophobicContact CD2-CG 4.44Å; Y163-P165 HydrophobicContact CE1-CB 3.73Å; Y163-P165 HydrophobicContact CE1-CG 3.72Å; Y163-P165 VanDerWaalsContact CE2-CD 3.5Å; Y163-P165 HydrophobicContact CE2-CG 3.85Å; Y163-P165 VanDerWaalsContact CZ-CG 3.47Å; Y163-L166 HydrophobicContact CD1-CB 4.14Å; Y163-L166 HydrophobicContact CD1-CD1 3.87Å; Y163-L166 HydrophobicContact CD1-CG 3.77Å; Y163-L166 PolarHBondContact O-N 2.97Å; Y163-L166 VanDerWaalsContact O-N 3.13Å; Y163-N167 PolarHBondContact O-N 3.25Å; Y163-N167 VanDerWaalsContact O-N 3.1Å; Y163-N167 PolarHBondContact O-ND2 3.01Å
164	T	84.2	Confident	87.2	Confident	86 Å²	86	63.9 Å²	63.9	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-53.4	-45.4	-172.5	-53	0	0	0	0	113.8	D162 L166 N167 Q168	D162-T164 PolarHBondContact O-N 2.98Å; T164-L166 PolarHBondContact O-N 2.87Å; T164-N167 PolarHBondContact O-N 2.83Å; T164-Q168 HydrophobicContact CG2-CG 4.28Å; T164-Q168 WeakPolarHBondContact O-CB 3.31Å; T164-Q168 VanDerWaalsContact O-CG 3.31Å; T164-Q168 WeakPolarHBondContact O-CG 2.95Å; T164-Q168 PolarHBondContact O-N 3.04Å
165	P	85.9	Confident	87.4	Confident	38 Å²	38	65 Å²	65	25%	0.247	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-37.7	178.4	-26.9	39.1	0	0	0	114.3	Y163 Q168 A169 L179	Y163-P165 HydrophobicContact CD1-CB 4.25Å; Y163-P165 HydrophobicContact CD1-CG 4.3Å; Y163-P165 HydrophobicContact CD2-CG 4.44Å; Y163-P165 HydrophobicContact CE1-CB 3.73Å; Y163-P165 HydrophobicContact CE1-CG 3.72Å; Y163-P165 VanDerWaalsContact CE2-CD 3.5Å; Y163-P165 HydrophobicContact CE2-CG 3.85Å; Y163-P165 VanDerWaalsContact CZ-CG 3.47Å; P165-Q168 PolarHBondContact O-N 3.4Å; P165-A169 WeakPolarHBondContact O-CB 3.19Å; P165-A169 PolarHBondContact O-N 3.46Å; P165-L179 HydrophobicContact CB-CD1 4.42Å
166	L	86.4	Confident	87.8	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-43.1	174.8	-81.3	171	0	0	0	111	I138 Y163 T164 Q168 A169 K170 F176 L179 L180	I138-L166 HydrophobicContact CD1-CD1 4.31Å; Y163-L166 HydrophobicContact CD1-CB 4.14Å; Y163-L166 HydrophobicContact CD1-CD1 3.87Å; Y163-L166 HydrophobicContact CD1-CG 3.77Å; Y163-L166 PolarHBondContact O-N 2.97Å; Y163-L166 VanDerWaalsContact O-N 3.13Å; T164-L166 PolarHBondContact O-N 2.87Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-Q168 PolarHBondContact O-N 3.23Å; L166-A169 PolarHBondContact O-N 3.2Å; L166-K170 PolarHBondContact O-N 3.31Å; L166-K170 VanDerWaalsContact O-N 3.14Å; L166-F176 HydrophobicContact CD2-CD2 3.89Å; L166-F176 HydrophobicContact CD2-CE2 3.74Å; L166-L179 HydrophobicContact CD2-CB 3.83Å; L166-L179 HydrophobicContact CD2-CD1 4.11Å; L166-L180 HydrophobicContact CD1-CD2 4.14Å; L166-L180 HydrophobicContact CD2-CD2 3.8Å; L166-L180 HydrophobicContact CD2-CG 4.01Å
167	N	85.5	Confident	88.1	Confident	41 Å²	41	62.3 Å²	62.3	22%	0.219	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-34.1	177.5	-77.6	-42.2	0	0	0	113	P158 S161 Y163 T164 K170	P158-N167 VanDerWaalsContact CA-OD1 3.29Å; P158-N167 WeakPolarHBondContact CA-OD1 3.23Å; S161-N167 PolarHBondContact O-ND2 3.03Å; Y163-N167 PolarHBondContact O-N 3.25Å; Y163-N167 VanDerWaalsContact O-N 3.1Å; Y163-N167 PolarHBondContact O-ND2 3.01Å; T164-N167 PolarHBondContact O-N 2.83Å; N167-K170 WeakPolarHBondContact O-CB 3.44Å; N167-K170 WeakPolarHBondContact O-CD 3.48Å; N167-K170 WeakPolarHBondContact O-CG 3.5Å
168	Q	87.6	Confident	88.4	Confident	128 Å²	128	69 Å²	69	60%	0.598	34%	0.34	S	S	*	.	H	α-helix	trans	-73.1	-30.7	173.7	-73.1	176	-4.5	0	0	112.8	T164 P165 L166 K170	T164-Q168 HydrophobicContact CG2-CG 4.28Å; T164-Q168 WeakPolarHBondContact O-CB 3.31Å; T164-Q168 VanDerWaalsContact O-CG 3.31Å; T164-Q168 WeakPolarHBondContact O-CG 2.95Å; T164-Q168 PolarHBondContact O-N 3.04Å; P165-Q168 PolarHBondContact O-N 3.4Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-Q168 PolarHBondContact O-N 3.23Å; Q168-K170 VanDerWaalsContact C-N 3.32Å
169	A	88.1	Confident	88.5	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-83.8	-3.5	177.7	0	0	0	0	0	113.5	P165 L166 D171 D172 R175 F176 L179	P165-A169 WeakPolarHBondContact O-CB 3.19Å; P165-A169 PolarHBondContact O-N 3.46Å; L166-A169 PolarHBondContact O-N 3.2Å; A169-D171 PolarHBondContact O-N 3.27Å; A169-D172 CarbonylContact O-C 3.43Å; A169-D172 PolarHBondContact O-N 2.89Å; A169-R175 HydrophobicContact CB-CB 4.25Å; A169-R175 HydrophobicContact CB-CG 3.9Å; A169-F176 HydrophobicContact CB-CB 4.32Å; A169-L179 HydrophobicContact CB-CD1 3.8Å
170	K	87.4	Confident	88.7	Confident	78 Å²	78	65.4 Å²	65.4	34%	0.339	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.1	-173.5	79.3	-178.8	-174.4	178.9	0	114.7	W150 I157 L166 N167 Q168	W150-K170 PolarHBondContact NE1-O 2.92Å; I157-K170 HydrophobicContact CD1-CB 4.14Å; L166-K170 PolarHBondContact O-N 3.31Å; L166-K170 VanDerWaalsContact O-N 3.14Å; N167-K170 WeakPolarHBondContact O-CB 3.44Å; N167-K170 WeakPolarHBondContact O-CD 3.48Å; N167-K170 WeakPolarHBondContact O-CG 3.5Å; Q168-K170 VanDerWaalsContact C-N 3.32Å
171	D	88.9	Confident	89	Confident	116 Å²	116	68.5 Å²	68.5	62%	0.62	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	0.8	-177.4	-63.1	-49.6	0	0	0	112.8	A169	A169-D171 PolarHBondContact O-N 3.27Å
172	D	93.3	Very high	89	Confident	77 Å²	77	69 Å²	69	41%	0.412	34%	0.339	S	S	.	.			trans	-124.2	101	176.1	-179.9	-16.5	0	0	0	109.8	A169 N174 R175 F176	A169-D172 CarbonylContact O-C 3.43Å; A169-D172 PolarHBondContact O-N 2.89Å; D172-N174 VanDerWaalsContact C-N 3.32Å; D172-N174 PolarHBondContact O-N 3.1Å; D172-N174 PolarHBondContact OD1-N 3.42Å; D172-N174 VanDerWaalsContact OD1-N 3.16Å; D172-R175 HydrophobicContact CB-CB 3.94Å; D172-R175 VanDerWaalsContact CG-CB 3.45Å; D172-R175 PolarHBondContact O-N 2.85Å; D172-R175 PolarHBondContact OD1-N 2.79Å; D172-R175 VanDerWaalsContact OD1-N 3.11Å; D172-R175 WeakPolarHBondContact OD2-CB 3.35Å; D172-F176 WeakPolarHBondContact O-CB 3.33Å; D172-F176 PolarHBondContact O-N 2.86Å
173	Q	93.2	Very high	88.7	Confident	49 Å²	49	71.4 Å²	71.4	23%	0.229	35%	0.351	C	S	.	.	H	α-helix	trans	-56	-43.9	-176.4	-174.3	-179	36.2	0	0	113	S147 W150 N151 F176 C177	S147-Q173 PolarHBondContact O-NE2 2.85Å; S147-Q173 VanDerWaalsContact O-NE2 3.14Å; W150-Q173 HydrophobicContact CB-CG 4.24Å; W150-Q173 HydrophobicContact CD2-CB 3.68Å; W150-Q173 HydrophobicContact CD2-CG 3.79Å; W150-Q173 HydrophobicContact CE3-CB 3.79Å; W150-Q173 HydrophobicContact CE3-CG 3.84Å; W150-Q173 HydrophobicContact CG-CB 4.19Å; W150-Q173 HydrophobicContact CG-CG 3.96Å; W150-Q173 HydrophobicContact CH2-CB 4.25Å; W150-Q173 HydrophobicContact CZ2-CB 4.14Å; W150-Q173 HydrophobicContact CZ3-CB 4.08Å; N151-Q173 PolarHBondContact ND2-NE2 2.86Å; Q173-F176 PolarHBondContact O-N 3.01Å; Q173-C177 WeakPolarHBondContact O-CB 3.42Å; Q173-C177 PolarHBondContact O-N 3.1Å
174	N	92.4	Very high	88.5	Confident	130 Å²	130	69.6 Å²	69.6	70%	0.695	35%	0.35	S	S	*	.	H	α-helix	trans	-67.6	-44.7	-176.4	-74.5	-17.4	0	0	0	110.1	D172 K178	D172-N174 VanDerWaalsContact C-N 3.32Å; D172-N174 PolarHBondContact O-N 3.1Å; D172-N174 PolarHBondContact OD1-N 3.42Å; D172-N174 VanDerWaalsContact OD1-N 3.16Å; N174-K178 VanDerWaalsContact O-CB 3.24Å; N174-K178 WeakPolarHBondContact O-CB 3.09Å; N174-K178 PolarHBondContact O-N 2.85Å
175	R	92.6	Very high	88.4	Confident	136 Å²	136	68.7 Å²	68.7	51%	0.513	35%	0.35	S	S	.	.	H	α-helix	trans	-65.9	-39.1	177.1	-170.7	176.7	177.8	179.4	-2.4	111.9	A169 D172 L179	A169-R175 HydrophobicContact CB-CB 4.25Å; A169-R175 HydrophobicContact CB-CG 3.9Å; D172-R175 HydrophobicContact CB-CB 3.94Å; D172-R175 VanDerWaalsContact CG-CB 3.45Å; D172-R175 PolarHBondContact O-N 2.85Å; D172-R175 PolarHBondContact OD1-N 2.79Å; D172-R175 VanDerWaalsContact OD1-N 3.11Å; D172-R175 WeakPolarHBondContact OD2-CB 3.35Å; R175-L179 WeakPolarHBondContact O-CG 3.43Å; R175-L179 PolarHBondContact O-N 3.12Å
176	F	92.6	Very high	88.3	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-51.3	176.8	178.2	-98.6	0	0	0	111.7	F149 W150 I157 L166 A169 D172 Q173 K178 L179 L180	F149-F176 HydrophobicContact CD1-CE1 4.07Å; F149-F176 HydrophobicContact CD1-CZ 4.33Å; F149-F176 HydrophobicContact CE1-CE1 4.17Å; F149-F176 AromaticContact CE1-CZ 3.96Å; F149-F176 HydrophobicContact CE1-CZ 3.96Å; W150-F176 HydrophobicContact CB-CD1 4.39Å; W150-F176 AromaticContact CD1-CD1 3.63Å; W150-F176 AromaticContact CD1-CG 3.84Å; W150-F176 HydrophobicContact CG-CD1 4.37Å; I157-F176 HydrophobicContact CD1-CD2 3.89Å; I157-F176 HydrophobicContact CD1-CE1 4.26Å; I157-F176 HydrophobicContact CD1-CE2 3.42Å; I157-F176 VanDerWaalsContact CD1-CE2 3.42Å; I157-F176 HydrophobicContact CD1-CG 4.49Å; I157-F176 HydrophobicContact CD1-CZ 3.63Å; I157-F176 HydrophobicContact CG1-CE2 3.85Å; I157-F176 HydrophobicContact CG1-CZ 3.89Å; I157-F176 HydrophobicContact CG2-CE2 3.92Å; L166-F176 HydrophobicContact CD2-CD2 3.89Å; L166-F176 HydrophobicContact CD2-CE2 3.74Å; A169-F176 HydrophobicContact CB-CB 4.32Å; D172-F176 WeakPolarHBondContact O-CB 3.33Å; D172-F176 PolarHBondContact O-N 2.86Å; Q173-F176 PolarHBondContact O-N 3.01Å; F176-K178 VanDerWaalsContact C-N 3.32Å; F176-K178 PolarHBondContact O-N 2.83Å; F176-L179 WeakPolarHBondContact O-CB 3.45Å; F176-L179 PolarHBondContact O-N 3.13Å; F176-L179 VanDerWaalsContact O-N 3.15Å; F176-L180 HydrophobicContact CD1-CD1 4.29Å; F176-L180 HydrophobicContact CE1-CD1 3.49Å; F176-L180 VanDerWaalsContact CE1-CD1 3.49Å; F176-L180 HydrophobicContact CE1-CG 4.48Å; F176-L180 HydrophobicContact CE2-CD1 4.15Å; F176-L180 HydrophobicContact CZ-CD1 3.4Å; F176-L180 HydrophobicContact CZ-CG 4.37Å; F176-L180 PolarHBondContact O-N 2.83Å
177	C	93.4	Very high	88.3	Confident	17 Å²	17	72.5 Å²	72.5	12%	0.115	37%	0.366	C	S	.	.	H	α-helix	trans	-69	-30.8	-179.1	-68	0	0	0	0	112.9	C146 Q173 L179 L180 E181	C146-C177 VanDerWaalsContact C-SG 3.52Å; C146-C177 HydrophobicContact CB-CB 3.89Å; C146-C177 WeakPolarHBondContact CB-SG 3.27Å; C146-C177 WeakPolarHBondContact SG-CA 3.2Å; C146-C177 WeakPolarHBondContact SG-CB 3.16Å; C146-C177 CovalentContact SG-SG 2.04Å; C146-C177 PolarHBondContact SG-SG 2.81Å; Q173-C177 WeakPolarHBondContact O-CB 3.42Å; Q173-C177 PolarHBondContact O-N 3.1Å; C177-L179 VanDerWaalsContact C-N 3.26Å; C177-L179 PolarHBondContact O-N 2.97Å; C177-L180 CarbonylContact O-C 3.52Å; C177-L180 PolarHBondContact O-N 2.81Å; C177-L180 VanDerWaalsContact O-N 3.11Å; C177-E181 PolarHBondContact O-N 3.5Å
178	K	92.1	Very high	88.5	Confident	142 Å²	142	70.9 Å²	70.9	62%	0.617	36%	0.358	S	S	*	.	H	α-helix	trans	-60.7	-35.5	171.6	-165.1	77.8	-165.8	150.8	0	112.4	N174 F176 L180 E181	N174-K178 VanDerWaalsContact O-CB 3.24Å; N174-K178 WeakPolarHBondContact O-CB 3.09Å; N174-K178 PolarHBondContact O-N 2.85Å; F176-K178 VanDerWaalsContact C-N 3.32Å; F176-K178 PolarHBondContact O-N 2.83Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-E181 IonicContact NZ-OE2 3.68Å; K178-E181 PolarHBondContact NZ-OE2 2.85Å
179	L	89.8	Confident	88.7	Confident	64 Å²	64	65 Å²	65	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-74.3	-19.5	176.7	-70.5	170	0	0	0	113.3	R136 P165 L166 A169 R175 F176 C177	R136-L179 PolarHBondContact NH1-O 2.95Å; P165-L179 HydrophobicContact CB-CD1 4.42Å; L166-L179 HydrophobicContact CD2-CB 3.83Å; L166-L179 HydrophobicContact CD2-CD1 4.11Å; A169-L179 HydrophobicContact CB-CD1 3.8Å; R175-L179 WeakPolarHBondContact O-CG 3.43Å; R175-L179 PolarHBondContact O-N 3.12Å; F176-L179 WeakPolarHBondContact O-CB 3.45Å; F176-L179 PolarHBondContact O-N 3.13Å; F176-L179 VanDerWaalsContact O-N 3.15Å; C177-L179 VanDerWaalsContact C-N 3.26Å; C177-L179 PolarHBondContact O-N 2.97Å
180	L	91.1	Very high	88.8	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-104	-1	178.7	-63.8	-174.9	0	0	0	113.3	R136 I138 G140 L141 L166 F176 C177 K178	R136-L180 VanDerWaalsContact NH1-CA 3.27Å; R136-L180 PolarHBondContact NH1-O 2.84Å; I138-L180 HydrophobicContact CB-CD2 3.91Å; I138-L180 HydrophobicContact CG2-CD1 3.87Å; I138-L180 HydrophobicContact CG2-CD2 4.03Å; G140-L180 CarbonylContact C-O 3.38Å; G140-L180 VanDerWaalsContact CA-O 3.24Å; G140-L180 WeakPolarHBondContact CA-O 3.31Å; L141-L180 HydrophobicContact CB-CB 4.49Å; L141-L180 HydrophobicContact CD1-CD1 3.83Å; L141-L180 HydrophobicContact CG-CD1 4.23Å; L141-L180 PolarHBondContact N-O 2.82Å; L166-L180 HydrophobicContact CD1-CD2 4.14Å; L166-L180 HydrophobicContact CD2-CD2 3.8Å; L166-L180 HydrophobicContact CD2-CG 4.01Å; F176-L180 HydrophobicContact CD1-CD1 4.29Å; F176-L180 HydrophobicContact CE1-CD1 3.49Å; F176-L180 VanDerWaalsContact CE1-CD1 3.49Å; F176-L180 HydrophobicContact CE1-CG 4.48Å; F176-L180 HydrophobicContact CE2-CD1 4.15Å; F176-L180 HydrophobicContact CZ-CD1 3.4Å; F176-L180 HydrophobicContact CZ-CG 4.37Å; F176-L180 PolarHBondContact O-N 2.83Å; C177-L180 CarbonylContact O-C 3.52Å; C177-L180 PolarHBondContact O-N 2.81Å; C177-L180 VanDerWaalsContact O-N 3.11Å; K178-L180 VanDerWaalsContact C-N 3.29Å
181	E	90.4	Very high	88.9	Confident	75 Å²	75	67.1 Å²	67.1	35%	0.35	34%	0.344	S	S	.	.			trans	-69.8	141.5	173.8	-167.6	171	-153.9	0	0	109.5	R136 C177 K178	R136-E181 PolarHBondContact NH1-O 3.05Å; R136-E181 PolarHBondContact NH2-O 2.75Å; C177-E181 PolarHBondContact O-N 3.5Å; K178-E181 IonicContact NZ-OE2 3.68Å; K178-E181 PolarHBondContact NZ-OE2 2.85Å
182	L	84.8	Confident	88.8	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.073	32%	0.315	C	S	.	.			trans	-98.9	150.1	171.1	-64	175.7	0	0	0	108.8	L125 D127 D184	L125-L182 HydrophobicContact CD2-CD1 4.39Å; D127-L182 WeakPolarHBondContact OD1-CD2 3.05Å; L182-D184 VanDerWaalsContact C-N 3.28Å; L182-D184 PolarHBondContact O-N 3.38Å
183	D	78.6	Confident	88.2	Confident	185 Å²	185	60.7 Å²	60.7	99%	0.989	31%	0.31	S	S	*	.	S	Bend	trans	-66.3	-34.6	176.1	-71	-24.7	0	0	0	111.5
184	D	80.7	Confident	87.6	Confident	77 Å²	77	62.3 Å²	62.3	41%	0.412	33%	0.327	S	S	.	.	S	Bend	trans	-97.6	107.2	169.1	-167.4	-17.9	0	0	0	111.1	L182 D186 Y187	L182-D184 VanDerWaalsContact C-N 3.28Å; L182-D184 PolarHBondContact O-N 3.38Å; D184-D186 PolarHBondContact O-N 3.03Å; D184-D186 WeakPolarHBondContact OD1-CB 3.27Å; D184-D186 PolarHBondContact OD1-N 2.87Å; D184-Y187 HydrophobicContact CB-CD2 3.92Å; D184-Y187 HydrophobicContact CB-CE2 4.49Å; D184-Y187 PolarHBondContact O-N 3.25Å; D184-Y187 WeakPolarHBondContact OD2-CD2 3.36Å; D184-Y187 VanDerWaalsContact OD2-CE2 3.26Å; D184-Y187 WeakPolarHBondContact OD2-CE2 3.45Å
185	A	82.3	Confident	87.1	Confident	66 Å²	66	57.8 Å²	57.8	55%	0.545	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.7	-179.6	0	0	0	0	0	113.4	Y187 C188	A185-Y187 PolarHBondContact O-N 2.75Å; A185-C188 PolarHBondContact O-N 3.31Å; A185-C188 PolarHBondContact O-SG 3.29Å
186	D	83.8	Confident	86.3	Confident	88 Å²	88	59 Å²	59	47%	0.471	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67.7	-21.2	179.3	-77.8	-9.9	0	0	0	112.2	D184 L198	D184-D186 PolarHBondContact O-N 3.03Å; D184-D186 WeakPolarHBondContact OD1-CB 3.27Å; D184-D186 PolarHBondContact OD1-N 2.87Å; D186-L198 HydrophobicContact CB-CD1 4.45Å; D186-L198 WeakPolarHBondContact O-CD1 3.3Å
187	Y	84.9	Confident	85.4	Confident	38 Å²	38	67.8 Å²	67.8	15%	0.149	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-100	1.4	-179.4	-65.9	-83.2	0	0	0	114.2	F121 H124 L125 D184 A185 L192 L198	F121-Y187 HydrophobicContact CB-CD1 4.32Å; F121-Y187 AromaticContact CD1-CD1 3.9Å; F121-Y187 HydrophobicContact CD1-CD1 3.9Å; F121-Y187 AromaticContact CD1-CE1 3.66Å; F121-Y187 HydrophobicContact CD1-CE1 3.66Å; F121-Y187 HydrophobicContact CE1-CE1 4.03Å; F121-Y187 HydrophobicContact CG-CD1 4.25Å; F121-Y187 HydrophobicContact CG-CE1 4.46Å; H124-Y187 HydrophobicContact CB-CD1 4.01Å; H124-Y187 HydrophobicContact CB-CG 4.05Å; H124-Y187 AromaticContact CD2-CD1 3.54Å; H124-Y187 AromaticContact CD2-CE1 3.38Å; H124-Y187 WeakPolarHBondContact CD2-CE1 3.28Å; H124-Y187 AromaticContact CD2-CZ 3.93Å; H124-Y187 AromaticContact CE1-CZ 3.92Å; H124-Y187 AromaticContact CG-CD1 3.76Å; H124-Y187 AromaticContact CG-CE1 3.98Å; H124-Y187 AromaticContact CG-CG 3.99Å; H124-Y187 AromaticContact NE2-CE1 3.51Å; H124-Y187 AromaticContact NE2-CZ 3.61Å; L125-Y187 VanDerWaalsContact CD2-O 3.23Å; L125-Y187 WeakPolarHBondContact CD2-O 3.34Å; D184-Y187 HydrophobicContact CB-CD2 3.92Å; D184-Y187 HydrophobicContact CB-CE2 4.49Å; D184-Y187 PolarHBondContact O-N 3.25Å; D184-Y187 WeakPolarHBondContact OD2-CD2 3.36Å; D184-Y187 VanDerWaalsContact OD2-CE2 3.26Å; D184-Y187 WeakPolarHBondContact OD2-CE2 3.45Å; A185-Y187 PolarHBondContact O-N 2.75Å; Y187-L192 WeakPolarHBondContact O-CD2 3.3Å; Y187-L198 HydrophobicContact CD1-CD1 4.25Å; Y187-L198 HydrophobicContact CE1-CD1 4.07Å; Y187-L198 HydrophobicContact CE1-CD2 4.09Å
188	C	89.4	Confident	84.3	Confident	7 Å²	7	68.9 Å²	68.9	5%	0.047	36%	0.356	C	S	.	.	S	Bend	trans	-70.2	142.9	179.9	75.2	0	0	0	0	111.8	C142 A185 H191 L192	C142-C188 WeakPolarHBondContact CA-SG 3.26Å; C142-C188 HydrophobicContact CB-CB 3.99Å; C142-C188 WeakPolarHBondContact CB-SG 3.46Å; C142-C188 WeakPolarHBondContact SG-CB 3.32Å; C142-C188 PolarHBondContact SG-O 3.3Å; C142-C188 CovalentContact SG-SG 2.04Å; C142-C188 PolarHBondContact SG-SG 3.07Å; A185-C188 PolarHBondContact O-N 3.31Å; A185-C188 PolarHBondContact O-SG 3.29Å; C188-H191 PolarHBondContact O-N 2.83Å; C188-H191 VanDerWaalsContact O-N 3.17Å; C188-L192 PolarHBondContact O-N 3.43Å
189	Y	91.8	Very high	83.3	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.016	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-85.3	136.3	176.2	-177.7	-91.1	0	0	0	111.9	E112 Q116 G140 L141 C142 Y145 L192 L193	E112-Y189 HydrophobicContact CB-CE1 4.22Å; E112-Y189 WeakPolarHBondContact CB-OH 2.99Å; E112-Y189 VanDerWaalsContact CD-OH 3.26Å; E112-Y189 WeakPolarHBondContact CG-OH 3.49Å; E112-Y189 WeakPolarHBondContact OE2-CE1 3.22Å; E112-Y189 PolarHBondContact OE2-OH 2.86Å; Q116-Y189 VanDerWaalsContact CD-CE2 3.44Å; Q116-Y189 HydrophobicContact CG-CD2 4.12Å; Q116-Y189 HydrophobicContact CG-CE2 4.49Å; Q116-Y189 HydrophobicContact CG-CG 4.28Å; G140-Y189 PolarHBondContact O-N 2.73Å; L141-Y189 HydrophobicContact CD2-CD1 4.28Å; C142-Y189 PolarHBondContact N-O 3.42Å; C142-Y189 PolarHBondContact SG-O 2.84Å; C142-Y189 VanDerWaalsContact SG-O 3.35Å; Y145-Y189 AromaticContact CD1-CD1 4Å; Y145-Y189 HydrophobicContact CD1-CD1 4Å; Y145-Y189 HydrophobicContact CD1-CE1 4.35Å; Y145-Y189 AromaticContact CE1-CD1 3.66Å; Y145-Y189 HydrophobicContact CE1-CD1 3.66Å; Y145-Y189 AromaticContact CE1-CE1 3.7Å; Y145-Y189 HydrophobicContact CE1-CE1 3.7Å; Y145-Y189 HydrophobicContact CE2-CE1 4.24Å; Y145-Y189 AromaticContact CZ-CE1 3.63Å; Y189-L192 HydrophobicContact CD2-CD2 4.3Å; Y189-L193 HydrophobicContact CD2-CD1 4.42Å; Y189-L193 HydrophobicContact CE2-CD1 3.62Å; Y189-L193 HydrophobicContact CE2-CG 4.16Å
190	P	91.2	Very high	82.2	Confident	36 Å²	36	67.9 Å²	67.9	23%	0.234	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.2	0.8	4.8	36.4	-36	0	0	0	115.1	Y145 L192 L193	Y145-P190 VanDerWaalsContact CB-CD 3.49Å; Y145-P190 HydrophobicContact CD2-CG 4.04Å; Y145-P190 HydrophobicContact CG-CG 4.3Å; P190-L192 PolarHBondContact O-N 3.48Å; P190-L192 VanDerWaalsContact O-N 3.12Å; P190-L193 WeakPolarHBondContact O-CB 3.5Å; P190-L193 PolarHBondContact O-N 2.78Å
191	H	89.4	Confident	81	Confident	86 Å²	86	72.1 Å²	72.1	40%	0.398	38%	0.376	S	S	.	.	H	α-helix	trans	-57.6	-33.1	-172.3	-67.4	-175.7	0	0	0	112.1	C142 D144 C188 L193 S194 N195	C142-H191 VanDerWaalsContact SG-CB 3.56Å; D144-H191 IonicContact OD1-CE1 3.82Å; D144-H191 IonicContact OD1-NE2 3.73Å; D144-H191 PolarHBondContact OD1-NE2 2.82Å; D144-H191 IonicContact OD2-CE1 2.68Å; D144-H191 IonicContact OD2-NE2 3.64Å; D144-H191 PolarHBondContact OD2-NE2 3.21Å; C188-H191 PolarHBondContact O-N 2.83Å; C188-H191 VanDerWaalsContact O-N 3.17Å; H191-L193 PolarHBondContact O-N 3.46Å; H191-L193 VanDerWaalsContact O-N 3.15Å; H191-S194 PolarHBondContact O-N 3.03Å; H191-S194 PolarHBondContact O-OG 3.16Å; H191-N195 PolarHBondContact O-N 3.31Å
192	L	86.3	Confident	79.9	Confident	1 Å²	1	71 Å²	71	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-52	-35.3	174	78.5	91.5	0	0	0	113.6	F121 L125 Y187 C188 Y189 P190 S194 N195 N199	F121-L192 HydrophobicContact CD2-CD1 3.74Å; F121-L192 HydrophobicContact CE2-CD1 4.23Å; L125-L192 HydrophobicContact CD1-CD2 3.91Å; L125-L192 HydrophobicContact CD2-CD2 3.66Å; L125-L192 HydrophobicContact CG-CD2 4.12Å; Y187-L192 WeakPolarHBondContact O-CD2 3.3Å; C188-L192 PolarHBondContact O-N 3.43Å; Y189-L192 HydrophobicContact CD2-CD2 4.3Å; P190-L192 PolarHBondContact O-N 3.48Å; P190-L192 VanDerWaalsContact O-N 3.12Å; L192-S194 PolarHBondContact O-N 3.4Å; L192-N195 WeakPolarHBondContact O-CB 3.15Å; L192-N195 PolarHBondContact O-N 3.03Å; L192-N199 PolarHBondContact O-ND2 2.93Å
193	L	81.3	Confident	78.8	Confident	58 Å²	58	71 Å²	71	30%	0.304	38%	0.375	S	S	.	.	H	α-helix	trans	-68.2	-28.2	-178.8	-66.1	-178.4	0	0	0	111.9	Y73 F76 Y189 P190 H191 N199	Y73-L193 HydrophobicContact CE1-CD2 4.43Å; F76-L193 HydrophobicContact CE2-CD2 4.34Å; F76-L193 HydrophobicContact CZ-CD2 4.36Å; Y189-L193 HydrophobicContact CD2-CD1 4.42Å; Y189-L193 HydrophobicContact CE2-CD1 3.62Å; Y189-L193 HydrophobicContact CE2-CG 4.16Å; P190-L193 WeakPolarHBondContact O-CB 3.5Å; P190-L193 PolarHBondContact O-N 2.78Å; H191-L193 PolarHBondContact O-N 3.46Å; H191-L193 VanDerWaalsContact O-N 3.15Å; L193-N199 PolarHBondContact O-ND2 3.47Å; L193-N199 VanDerWaalsContact O-ND2 3.11Å
194	S	81.2	Confident	78.4	Confident	83 Å²	83	70.3 Å²	70.3	58%	0.58	36%	0.359	S	S	*	.	H	α-helix	trans	-92.1	-4.5	177.8	63.1	0	0	0	0	113.6	H191 L192 H196	H191-S194 PolarHBondContact O-N 3.03Å; H191-S194 PolarHBondContact O-OG 3.16Å; L192-S194 PolarHBondContact O-N 3.4Å; S194-H196 PolarHBondContact O-N 3.46Å
195	N	81.4	Confident	78.2	Confident	35 Å²	35	67.4 Å²	67.4	19%	0.187	34%	0.344	C	S	.	.			trans	-75	93.3	-179.3	-167.3	-30	0	0	0	110.4	H191 L192 K197 L198 N199	H191-N195 PolarHBondContact O-N 3.31Å; L192-N195 WeakPolarHBondContact O-CB 3.15Å; L192-N195 PolarHBondContact O-N 3.03Å; N195-K197 PolarHBondContact O-N 2.87Å; N195-K197 WeakPolarHBondContact OD1-CB 3.17Å; N195-K197 PolarHBondContact OD1-N 2.85Å; N195-K197 VanDerWaalsContact OD1-N 3.13Å; N195-L198 HydrophobicContact CB-CB 4.16Å; N195-L198 HydrophobicContact CB-CD1 3.95Å; N195-L198 HydrophobicContact CB-CG 4.15Å; N195-L198 WeakPolarHBondContact ND2-CD1 3.45Å; N195-L198 PolarHBondContact O-N 2.82Å; N195-L198 PolarHBondContact OD1-N 3.46Å; N195-N199 PolarHBondContact O-N 3.13Å; N195-N199 PolarHBondContact O-ND2 3.25Å
196	H	75.9	Confident	78.1	Confident	162 Å²	162	68.3 Å²	68.3	75%	0.75	34%	0.337	S	S	*	.	H	α-helix	trans	-57.1	-32.4	179.6	-73.8	-67.6	0	0	0	112.9	S194 N199 Q200	S194-H196 PolarHBondContact O-N 3.46Å; H196-N199 PolarHBondContact O-N 2.6Å; H196-Q200 WeakPolarHBondContact O-CB 3.46Å; H196-Q200 PolarHBondContact O-N 3.2Å
197	K	73	Confident	78.1	Confident	184 Å²	184	68.7 Å²	68.7	80%	0.8	33%	0.334	S	S	*	.	H	α-helix	trans	-67.6	-41.5	179.9	-171.4	-176	173.7	-165.3	0	111.4	N195	N195-K197 PolarHBondContact O-N 2.87Å; N195-K197 WeakPolarHBondContact OD1-CB 3.17Å; N195-K197 PolarHBondContact OD1-N 2.85Å; N195-K197 VanDerWaalsContact OD1-N 3.13Å
198	L	70.6	Confident	77.9	Confident	39 Å²	39	69.3 Å²	69.3	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-71.7	-35.6	176.7	-67	177	0	0	0	112.2	F121 D186 Y187 N195	F121-L198 HydrophobicContact CE1-CB 4.49Å; F121-L198 HydrophobicContact CZ-CB 4.01Å; D186-L198 HydrophobicContact CB-CD1 4.45Å; D186-L198 WeakPolarHBondContact O-CD1 3.3Å; Y187-L198 HydrophobicContact CD1-CD1 4.25Å; Y187-L198 HydrophobicContact CE1-CD1 4.07Å; Y187-L198 HydrophobicContact CE1-CD2 4.09Å; N195-L198 HydrophobicContact CB-CB 4.16Å; N195-L198 HydrophobicContact CB-CD1 3.95Å; N195-L198 HydrophobicContact CB-CG 4.15Å; N195-L198 WeakPolarHBondContact ND2-CD1 3.45Å; N195-L198 PolarHBondContact O-N 2.82Å; N195-L198 PolarHBondContact OD1-N 3.46Å
199	N	71.3	Confident	77.4	Confident	38 Å²	38	74.6 Å²	74.6	20%	0.203	38%	0.377	C	S	.	.	H	α-helix	trans	-96.8	-12.9	-168	-63.5	-36.2	0	0	0	115.6	F121 L192 L193 N195 H196 N201 L202	F121-N199 WeakPolarHBondContact CE2-OD1 3.36Å; L192-N199 PolarHBondContact O-ND2 2.93Å; L193-N199 PolarHBondContact O-ND2 3.47Å; L193-N199 VanDerWaalsContact O-ND2 3.11Å; N195-N199 PolarHBondContact O-N 3.13Å; N195-N199 PolarHBondContact O-ND2 3.25Å; H196-N199 PolarHBondContact O-N 2.6Å; N199-N201 VanDerWaalsContact C-N 3.33Å; N199-N201 PolarHBondContact O-N 3.39Å; N199-L202 HydrophobicContact CB-CD1 4.1Å; N199-L202 WeakPolarHBondContact OD1-CD1 3.33Å
200	Q	67.8	Low	76.8	Confident	148 Å²	148	81.5 Å²	81.5	69%	0.692	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.2	-169.5	-176.3	172.5	12.1	0	0	114.9	H196	H196-Q200 WeakPolarHBondContact O-CB 3.46Å; H196-Q200 PolarHBondContact O-N 3.2Å
201	N	64.1	Low	76.5	Confident	91 Å²	91	81.1 Å²	81.1	49%	0.487	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	16.3	-173	-66.4	-44.1	0	0	0	114	N199 G203 R204	N199-N201 VanDerWaalsContact C-N 3.33Å; N199-N201 PolarHBondContact O-N 3.39Å; N201-G203 PolarHBondContact O-N 3.36Å; N201-R204 PolarHBondContact O-N 2.96Å; N201-R204 VanDerWaalsContact O-N 3.17Å
202	L	67.3	Low	76.5	Confident	50 Å²	50	77.5 Å²	77.5	26%	0.262	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	128.7	177	-79.3	165.8	0	0	0	110.8	P60 F76 P120 F121 N199	P60-L202 HydrophobicContact CG-CB 4.44Å; P60-L202 HydrophobicContact CG-CD2 4.13Å; F76-L202 HydrophobicContact CD2-CD1 4.4Å; P120-L202 HydrophobicContact CB-CD2 4.34Å; P120-L202 HydrophobicContact CG-CD1 4.32Å; P120-L202 HydrophobicContact CG-CD2 4.35Å; F121-L202 HydrophobicContact CE2-CD1 4.3Å; F121-L202 HydrophobicContact CZ-CD1 4.2Å; F121-L202 HydrophobicContact CZ-CD2 4.16Å; N199-L202 HydrophobicContact CB-CD1 4.1Å; N199-L202 WeakPolarHBondContact OD1-CD1 3.33Å
203	G	62.1	Low	76.8	Confident	14 Å²	14	77.9 Å²	77.9	14%	0.144	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	17.6	178	0	0	0	0	0	115.1	N201 N519	N201-G203 PolarHBondContact O-N 3.36Å; G203-N519 PolarHBondContact O-ND2 3.43Å; G203-N519 PolarHBondContact O-OD1 3.08Å
204	R	70.8	Confident	77.2	Confident	172 Å²	172	76.3 Å²	76.3	65%	0.649	39%	0.394	S	S	*	.	S	Bend	trans	-118.4	151.6	162.9	-65	-179.2	177.2	175.8	0.2	108.8	N201 Q206 N519 S607	N201-R204 PolarHBondContact O-N 2.96Å; N201-R204 VanDerWaalsContact O-N 3.17Å; R204-Q206 PolarHBondContact O-N 2.87Å; R204-N519 WeakPolarHBondContact CA-ND2 3.24Å; R204-S607 WeakPolarHBondContact O-CB 3.44Å; R204-S607 PolarHBondContact O-OG 2.79Å
205	V	76	Confident	77.8	Confident	15 Å²	15	72.5 Å²	72.5	9%	0.091	37%	0.367	C	S	.	.			trans	-55.7	125.5	169.2	-177.2	0	0	0	0	108.2	L213 L215 N519 L520	V205-L213 HydrophobicContact CB-CD2 3.92Å; V205-L213 HydrophobicContact CG1-CB 3.94Å; V205-L213 HydrophobicContact CG1-CD2 3.75Å; V205-L213 HydrophobicContact CG1-CG 4.39Å; V205-L215 HydrophobicContact CG1-CD2 3.75Å; V205-N519 HydrophobicContact CG2-CB 3.69Å; V205-N519 PolarHBondContact N-ND2 3.27Å; V205-L520 HydrophobicContact CG2-CD2 3.78Å
206	Q	80.3	Confident	78.4	Confident	85 Å²	85	70.8 Å²	70.8	40%	0.397	36%	0.359	S	S	.	.			trans	-61.7	148.5	178.3	-70.9	-165.4	30	0	0	111	R204 Q214 S607	R204-Q206 PolarHBondContact O-N 2.87Å; Q206-Q214 HydrophobicContact CB-CB 4.35Å; Q206-Q214 PolarHBondContact O-N 3.27Å; Q206-S607 PolarHBondContact N-OG 2.88Å; Q206-S607 VanDerWaalsContact N-OG 3.09Å
207	K	83.9	Confident	79.4	Confident	96 Å²	96	63.1 Å²	63.1	42%	0.417	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-124.5	139.7	176.2	-71.8	-175	167.8	-143.4	0	109.9	G211 C212 L213 N549	K207-G211 WeakPolarHBondContact CD-O 3.22Å; K207-G211 PolarHBondContact NZ-O 2.9Å; K207-C212 WeakPolarHBondContact CA-O 3.46Å; K207-L213 HydrophobicContact CD-CD2 4.28Å; K207-L213 HydrophobicContact CG-CD2 3.89Å; K207-N549 PolarHBondContact NZ-OD1 2.82Å
208	D	80.5	Confident	80.4	Confident	51 Å²	51	56.2 Å²	56.2	27%	0.273	29%	0.294	S	S	.	.			trans	-72.8	-177.6	169.1	72	7.6	0	0	0	111.9	D210 G211 C212 Q214	D208-D210 PolarHBondContact O-N 2.75Å; D208-D210 WeakPolarHBondContact OD1-CA 3.18Å; D208-D210 PolarHBondContact OD1-N 2.71Å; D208-G211 PolarHBondContact O-N 3.41Å; D208-G211 VanDerWaalsContact O-N 3.1Å; D208-G211 PolarHBondContact OD1-N 2.89Å; D208-C212 PolarHBondContact N-O 3.12Å; D208-C212 WeakPolarHBondContact OD1-CB 3.42Å; D208-C212 PolarHBondContact OD1-N 2.87Å; D208-C212 WeakPolarHBondContact OD2-CB 3.43Å; D208-Q214 HydrophobicContact CB-CG 4.4Å
209	S	78.7	Confident	81.7	Confident	119 Å²	119	54.6 Å²	54.6	83%	0.832	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.1	179.7	49.6	0	0	0	0	114.1	G211	S209-G211 VanDerWaalsContact C-N 3.34Å
210	D	80.7	Confident	82.9	Confident	148 Å²	148	52.9 Å²	52.9	79%	0.791	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.5	-179.7	-62.1	-36.2	0	0	0	111.9	D208	D208-D210 PolarHBondContact O-N 2.75Å; D208-D210 WeakPolarHBondContact OD1-CA 3.18Å; D208-D210 PolarHBondContact OD1-N 2.71Å
211	G	83.1	Confident	84.3	Confident	28 Å²	28	45.9 Å²	45.9	29%	0.289	24%	0.243	S	C	.	.			trans	87.1	11.6	176.1	0	0	0	0	0	114.4	K207 D208 S209	K207-G211 WeakPolarHBondContact CD-O 3.22Å; K207-G211 PolarHBondContact NZ-O 2.9Å; D208-G211 PolarHBondContact O-N 3.41Å; D208-G211 VanDerWaalsContact O-N 3.1Å; D208-G211 PolarHBondContact OD1-N 2.89Å; S209-G211 VanDerWaalsContact C-N 3.34Å
212	C	90.1	Very high	85.9	Confident	11 Å²	11	42.9 Å²	42.9	7%	0.074	23%	0.227	C	C	.	.			trans	-73.8	136.4	176.4	174	0	0	0	0	111.1	K207 D208 Q214 E550 C552	K207-C212 WeakPolarHBondContact CA-O 3.46Å; D208-C212 PolarHBondContact N-O 3.12Å; D208-C212 WeakPolarHBondContact OD1-CB 3.42Å; D208-C212 PolarHBondContact OD1-N 2.87Å; D208-C212 WeakPolarHBondContact OD2-CB 3.43Å; C212-Q214 PolarHBondContact O-N 3.27Å; C212-E550 HydrophobicContact CB-CB 4.14Å; C212-C552 VanDerWaalsContact C-SG 3.56Å; C212-C552 HydrophobicContact CB-CB 4.26Å; C212-C552 WeakPolarHBondContact CB-SG 3.23Å; C212-C552 VanDerWaalsContact SG-CA 3.56Å; C212-C552 WeakPolarHBondContact SG-CB 3.49Å; C212-C552 PolarHBondContact SG-N 2.87Å; C212-C552 CovalentContact SG-SG 2.04Å; C212-C552 PolarHBondContact SG-SG 3.06Å
213	L	92.6	Very high	87.3	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	116.9	-179.1	-66.3	173.7	0	0	0	110.2	V205 K207 L215 M523 S536 N549 E550 I551 C552	V205-L213 HydrophobicContact CB-CD2 3.92Å; V205-L213 HydrophobicContact CG1-CB 3.94Å; V205-L213 HydrophobicContact CG1-CD2 3.75Å; V205-L213 HydrophobicContact CG1-CG 4.39Å; K207-L213 HydrophobicContact CD-CD2 4.28Å; K207-L213 HydrophobicContact CG-CD2 3.89Å; L213-L215 PolarHBondContact O-N 3.13Å; L213-M523 HydrophobicContact CD1-SD 4.44Å; L213-S536 WeakPolarHBondContact CD1-OG 3.35Å; L213-N549 HydrophobicContact CD1-CB 3.62Å; L213-N549 HydrophobicContact CG-CB 3.89Å; L213-E550 PolarHBondContact N-O 3.17Å; L213-I551 HydrophobicContact CB-CG1 4.31Å; L213-I551 HydrophobicContact CD1-CG1 4.48Å; L213-I551 WeakPolarHBondContact O-CA 3.49Å; L213-C552 PolarHBondContact O-N 2.71Å
214	Q	90.6	Very high	88.9	Confident	25 Å²	25	41.7 Å²	41.7	12%	0.117	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	113.4	179.5	-67.5	-173	-41.7	0	0	110.6	Q206 D208 C212 C552 T558	Q206-Q214 HydrophobicContact CB-CB 4.35Å; Q206-Q214 PolarHBondContact O-N 3.27Å; D208-Q214 HydrophobicContact CB-CG 4.4Å; C212-Q214 PolarHBondContact O-N 3.27Å; Q214-C552 WeakPolarHBondContact CA-O 3.4Å; Q214-T558 HydrophobicContact CB-CG2 4.44Å
215	L	94	Very high	90.2	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	161.9	173.2	-59.4	-176.6	0	0	0	110.1	V205 L213 L520 I551 C552 M553 G554 V603 D605	V205-L215 HydrophobicContact CG1-CD2 3.75Å; L213-L215 PolarHBondContact O-N 3.13Å; L215-L520 HydrophobicContact CD1-CD2 4.38Å; L215-L520 HydrophobicContact CD2-CD2 3.99Å; L215-I551 HydrophobicContact CB-CG2 4.12Å; L215-I551 HydrophobicContact CD1-CD1 4.05Å; L215-I551 HydrophobicContact CD1-CG1 4.41Å; L215-I551 HydrophobicContact CD1-CG2 3.66Å; L215-I551 HydrophobicContact CG-CG2 3.9Å; L215-C552 PolarHBondContact N-O 3.36Å; L215-M553 CarbonylContact O-C 3.47Å; L215-M553 WeakPolarHBondContact O-CA 3.23Å; L215-G554 PolarHBondContact O-N 2.63Å; L215-V603 HydrophobicContact CD1-CG1 3.62Å; L215-D605 HydrophobicContact CD2-CB 4.02Å
216	C	93.3	Very high	91.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	168.5	172.1	-55.1	0	0	0	0	109.1	C559 L564 V604	C216-C559 VanDerWaalsContact CA-SG 3.59Å; C216-C559 HydrophobicContact CB-CB 3.87Å; C216-C559 WeakPolarHBondContact CB-SG 2.94Å; C216-C559 WeakPolarHBondContact SG-CA 3.41Å; C216-C559 WeakPolarHBondContact SG-CB 3.44Å; C216-C559 CovalentContact SG-SG 2.03Å; C216-C559 PolarHBondContact SG-SG 3.02Å; C216-L564 HydrophobicContact CB-CB 4.34Å; C216-L564 HydrophobicContact CB-CD1 4.09Å; C216-V604 HydrophobicContact CB-CB 4.49Å; C216-V604 PolarHBondContact N-O 3.33Å; C216-V604 WeakPolarHBondContact O-CB 3.37Å; C216-V604 PolarHBondContact O-N 2.88Å
217	L	96.3	Very high	92	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	156.3	179.1	-56.1	178.2	0	0	0	110.6	M553 L564 I565 Y568 F585 Y601 K602 V603	L217-M553 HydrophobicContact CD1-CE 4.43Å; L217-M553 HydrophobicContact CD1-SD 3.59Å; L217-M553 VanDerWaalsContact CD1-SD 3.59Å; L217-M553 HydrophobicContact CD2-CE 4.41Å; L217-M553 HydrophobicContact CD2-SD 4.34Å; L217-M553 HydrophobicContact CG-CE 4.33Å; L217-M553 HydrophobicContact CG-SD 3.64Å; L217-L564 CarbonylContact O-C 3.51Å; L217-L564 VanDerWaalsContact O-CA 3.3Å; L217-L564 WeakPolarHBondContact O-CA 3.5Å; L217-I565 HydrophobicContact CB-CD1 4.44Å; L217-I565 HydrophobicContact CB-CG1 3.83Å; L217-I565 PolarHBondContact N-O 2.68Å; L217-I565 PolarHBondContact O-N 2.62Å; L217-Y568 HydrophobicContact CD1-CD1 3.53Å; L217-Y568 HydrophobicContact CD1-CE1 4.46Å; L217-Y568 HydrophobicContact CD1-CG 3.94Å; L217-F585 HydrophobicContact CD1-CE1 4.01Å; L217-F585 HydrophobicContact CD1-CZ 3.64Å; L217-F585 HydrophobicContact CD2-CE1 3.51Å; L217-F585 HydrophobicContact CD2-CZ 4.05Å; L217-F585 HydrophobicContact CG-CE1 4.42Å; L217-Y601 HydrophobicContact CB-CD1 4.2Å; L217-Y601 HydrophobicContact CD1-CD1 4.05Å; L217-Y601 HydrophobicContact CD1-CG 4.14Å; L217-K602 WeakPolarHBondContact CA-O 3.33Å; L217-V603 HydrophobicContact CD2-CG2 4.49Å
218	E	94.9	Very high	92.5	Very high	39 Å²	39	30 Å²	30	18%	0.182	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.2	166.9	175.9	173.9	-152.3	0	0	108.3	R256 L564 Y601 K602 V604	E218-R256 IonicContact OE1-CZ 3.9Å; E218-R256 IonicContact OE1-NH1 2.83Å; E218-R256 PolarHBondContact OE1-NH1 3.17Å; E218-R256 IonicContact OE1-NH2 3.9Å; E218-R256 PolarHBondContact OE1-NH2 3.28Å; E218-R256 IonicContact OE2-CZ 2.66Å; E218-R256 IonicContact OE2-NH1 2.8Å; E218-R256 IonicContact OE2-NH2 3.7Å; E218-R256 PolarHBondContact OE2-NH2 2.91Å; E218-R256 VanDerWaalsContact OE2-NH2 3.12Å; E218-L564 HydrophobicContact CB-CD2 4.1Å; E218-Y601 CarbonylContact O-C 3.47Å; E218-Y601 WeakPolarHBondContact O-CA 3.33Å; E218-K602 HydrophobicContact CB-CB 4.27Å; E218-K602 PolarHBondContact N-O 3.44Å; E218-K602 PolarHBondContact O-N 3.18Å; E218-V604 HydrophobicContact CB-CG2 4.29Å
219	E	96.6	Very high	93.3	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.019	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.5	177.4	-157.4	-170.3	147	0	0	110.3	N222 R256 I565 V599 F631 P633 Q634 E635	E219-N222 WeakPolarHBondContact OE1-CB 3.35Å; E219-N222 PolarHBondContact OE1-ND2 3.16Å; E219-R256 PolarHBondContact O-NH1 3.03Å; E219-I565 HydrophobicContact CB-CD1 4.42Å; E219-V599 HydrophobicContact CG-CG1 3.64Å; E219-F631 HydrophobicContact CB-CZ 4.03Å; E219-F631 HydrophobicContact CG-CZ 3.91Å; E219-F631 WeakPolarHBondContact O-CE1 3.42Å; E219-F631 WeakPolarHBondContact O-CZ 3.4Å; E219-P633 HydrophobicContact CB-CB 4.4Å; E219-P633 WeakPolarHBondContact OE2-CA 3.33Å; E219-Q634 PolarHBondContact OE1-N 3.35Å; E219-Q634 PolarHBondContact OE2-N 2.92Å; E219-E635 PolarHBondContact OE2-N 3.4Å
220	V	96.7	Very high	94.2	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	-32.2	-171.2	177.6	0	0	0	0	112.4	F240 R256 Y584 I600 K602	V220-F240 HydrophobicContact CG1-CE1 4.49Å; V220-F240 HydrophobicContact CG1-CE2 4.25Å; V220-F240 HydrophobicContact CG1-CZ 3.75Å; V220-R256 HydrophobicContact CG1-CG 4.29Å; V220-Y584 HydrophobicContact CB-CE1 4.39Å; V220-Y584 HydrophobicContact CG1-CD1 4.48Å; V220-Y584 HydrophobicContact CG1-CE1 4.11Å; V220-Y584 HydrophobicContact CG2-CD1 3.98Å; V220-Y584 HydrophobicContact CG2-CE1 3.68Å; V220-I600 HydrophobicContact CB-CB 4.46Å; V220-I600 HydrophobicContact CB-CG2 4.32Å; V220-I600 PolarHBondContact N-O 3.04Å; V220-K602 HydrophobicContact CG2-CB 3.84Å
221	A	97.6	Very high	95.1	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	144.6	175.6	0	0	0	0	0	109.7	L224 Y252 V599 I600	A221-L224 HydrophobicContact CB-CD1 4Å; A221-Y252 HydrophobicContact CB-CE1 3.68Å; A221-V599 CarbonylContact O-C 3.52Å; A221-V599 VanDerWaalsContact O-CA 3.28Å; A221-V599 WeakPolarHBondContact O-CA 3.43Å; A221-V599 WeakPolarHBondContact O-CG1 3.31Å; A221-I600 HydrophobicContact CB-CB 4.16Å; A221-I600 HydrophobicContact CB-CD1 4.06Å; A221-I600 HydrophobicContact CB-CG1 4.11Å; A221-I600 PolarHBondContact O-N 3.36Å
222	N	97.3	Very high	95.7	Very high	28 Å²	28	16.7 Å²	16.7	15%	0.15	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	174.5	179	58.3	44.6	0	0	0	112.4	E219 L224 G598 V599 F631 V632	E219-N222 WeakPolarHBondContact OE1-CB 3.35Å; E219-N222 PolarHBondContact OE1-ND2 3.16Å; N222-L224 VanDerWaalsContact C-N 3.25Å; N222-L224 PolarHBondContact O-N 3.1Å; N222-G598 CarbonylContact C-O 3.54Å; N222-V599 HydrophobicContact CB-CG1 4.49Å; N222-V599 HydrophobicContact CB-CG2 4.16Å; N222-F631 WeakPolarHBondContact ND2-CE2 3.34Å; N222-V632 PolarHBondContact ND2-O 3.04Å
223	G	96.3	Very high	96.1	Very high	39 Å²	39	16.3 Å²	16.3	40%	0.402	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.3	24.7	179.8	0	0	0	0	0	113.4	P596 G598	G223-P596 WeakPolarHBondContact CA-O 3.23Å; G223-G598 PolarHBondContact N-O 2.9Å
224	L	97.7	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.2	-176.3	-64.8	164.8	0	0	0	111.3	A221 N222 N226 P227 V242 E244 P596 S597 G598 I600	A221-L224 HydrophobicContact CB-CD1 4Å; N222-L224 VanDerWaalsContact C-N 3.25Å; N222-L224 PolarHBondContact O-N 3.1Å; L224-N226 PolarHBondContact O-N 3.11Å; L224-P227 HydrophobicContact CB-CB 4.07Å; L224-P227 HydrophobicContact CB-CG 3.88Å; L224-P227 HydrophobicContact CD1-CB 3.94Å; L224-P227 HydrophobicContact CD1-CG 4Å; L224-V242 HydrophobicContact CD1-CG1 3.9Å; L224-V242 HydrophobicContact CD2-CG1 4.04Å; L224-E244 WeakPolarHBondContact CA-OE1 3.22Å; L224-E244 HydrophobicContact CD2-CG 4.45Å; L224-P596 CarbonylContact O-C 2.96Å; L224-P596 WeakPolarHBondContact O-CA 3.36Å; L224-S597 PolarHBondContact O-N 3.47Å; L224-G598 WeakPolarHBondContact CB-O 3.36Å; L224-G598 PolarHBondContact N-O 3Å; L224-G598 VanDerWaalsContact O-CA 3.32Å; L224-G598 WeakPolarHBondContact O-CA 3.26Å; L224-G598 PolarHBondContact O-N 3.3Å; L224-I600 HydrophobicContact CD1-CD1 3.84Å; L224-I600 HydrophobicContact CD1-CG1 3.7Å
225	R	97.3	Very high	96.5	Very high	108 Å²	108	19.9 Å²	19.9	41%	0.408	11%	0.107	S	C	.	.	S	Bend	trans	-89.2	93.5	176.4	-69.6	-172.7	-175.9	119.5	0.7	111.4	E244 Q245 V246 A593 A595 P596	R225-E244 HydrophobicContact CB-CB 4.36Å; R225-E244 HydrophobicContact CB-CG 4.36Å; R225-E244 PolarHBondContact N-OE1 2.87Å; R225-E244 VanDerWaalsContact O-CB 3.24Å; R225-E244 WeakPolarHBondContact O-CB 3.32Å; R225-Q245 PolarHBondContact O-N 3.35Å; R225-V246 HydrophobicContact CB-CG2 4.45Å; R225-A593 WeakPolarHBondContact CB-O 3.46Å; R225-A595 WeakPolarHBondContact CA-O 3.32Å; R225-P596 HydrophobicContact CG-CB 4.23Å
226	N	96.5	Very high	96.6	Very high	11 Å²	11	20.8 Å²	20.8	6%	0.059	12%	0.117	C	C	.	.	S	Bend	trans	40.5	71.9	-176.5	-153.4	32.1	0	0	0	112.5	L224 L228 Q245 I573	L224-N226 PolarHBondContact O-N 3.11Å; N226-L228 PolarHBondContact O-N 3.06Å; N226-L228 VanDerWaalsContact O-N 3.15Å; N226-Q245 HydrophobicContact CB-CB 4.14Å; N226-Q245 PolarHBondContact ND2-OE1 3.28Å; N226-Q245 PolarHBondContact O-N 2.94Å; N226-I573 WeakPolarHBondContact OD1-CD1 3.49Å
227	P	97.2	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	113.4	-175.6	27.4	-33.7	0	0	0	110.3	L224 V242 A243 I573 M586	L224-P227 HydrophobicContact CB-CB 4.07Å; L224-P227 HydrophobicContact CB-CG 3.88Å; L224-P227 HydrophobicContact CD1-CB 3.94Å; L224-P227 HydrophobicContact CD1-CG 4Å; P227-V242 HydrophobicContact CB-CG1 4.07Å; P227-A243 WeakPolarHBondContact CA-O 3.35Å; P227-I573 HydrophobicContact CG-CD1 4.32Å; P227-I573 WeakPolarHBondContact O-CG2 3.32Å; P227-M586 HydrophobicContact CB-CG 4.06Å; P227-M586 HydrophobicContact CB-SD 4.12Å; P227-M586 HydrophobicContact CG-CB 4.14Å; P227-M586 HydrophobicContact CG-CG 4.09Å
228	L	95.6	Very high	96.8	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-30.6	-176.2	-65.2	177.2	0	0	0	111.7	N226 A243 Q245 F282 L283 W428 R429 I573 S574	N226-L228 PolarHBondContact O-N 3.06Å; N226-L228 VanDerWaalsContact O-N 3.15Å; L228-A243 PolarHBondContact N-O 3.06Å; L228-Q245 HydrophobicContact CD1-CB 3.55Å; L228-Q245 HydrophobicContact CD1-CG 3.58Å; L228-Q245 HydrophobicContact CG-CB 4.06Å; L228-F282 WeakPolarHBondContact CD1-O 3.36Å; L228-L283 HydrophobicContact CD1-CD2 3.83Å; L228-W428 HydrophobicContact CD1-CH2 4.34Å; L228-W428 HydrophobicContact CD2-CH2 4Å; L228-W428 HydrophobicContact CD2-CZ2 3.65Å; L228-R429 PolarHBondContact O-NE 3.21Å; L228-R429 PolarHBondContact O-NH2 3.23Å; L228-I573 HydrophobicContact CD2-CG2 3.28Å; L228-I573 HydrophobicContact CG-CG2 4.43Å; L228-S574 WeakPolarHBondContact O-CB 3.15Å; L228-S574 PolarHBondContact O-OG 2.98Å
229	A	96.6	Very high	96.9	Very high	6 Å²	6	20.6 Å²	20.6	5%	0.05	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	144.2	-180	0	0	0	0	0	112.7	V242 A243 I285	A229-V242 CarbonylContact O-C 3.52Å; A229-V242 WeakPolarHBondContact O-CA 3.1Å; A229-A243 HydrophobicContact CB-CB 4.15Å; A229-A243 PolarHBondContact N-O 2.03Å; A229-A243 PolarHBondContact O-N 2.88Å; A229-I285 HydrophobicContact CB-CG2 3.92Å
230	M	97.9	Very high	97	Very high	4 Å²	4	21 Å²	21	2%	0.02	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.4	163.3	167	-177.9	163	0	0	107.5	F240 F241 V242 A576 Y584 M586 I600	M230-F240 HydrophobicContact CE-CB 3.83Å; M230-F240 HydrophobicContact CE-CD1 4.42Å; M230-F240 HydrophobicContact CE-CD2 3.71Å; M230-F240 HydrophobicContact CE-CE2 4.32Å; M230-F240 HydrophobicContact CE-CG 3.75Å; M230-F240 HydrophobicContact CG-CB 4.32Å; M230-F240 HydrophobicContact CG-CD2 4.11Å; M230-F240 HydrophobicContact SD-CD2 3.94Å; M230-F240 HydrophobicContact SD-CE2 4.41Å; M230-F241 VanDerWaalsContact CA-O 3.28Å; M230-F241 WeakPolarHBondContact CA-O 3.43Å; M230-V242 HydrophobicContact CB-CG2 4.45Å; M230-V242 HydrophobicContact CG-CG2 4.45Å; M230-A576 HydrophobicContact CB-CB 3.57Å; M230-A576 HydrophobicContact CG-CB 3.83Å; M230-A576 WeakPolarHBondContact O-CB 3.42Å; M230-A576 HydrophobicContact SD-CB 4.17Å; M230-Y584 HydrophobicContact CE-CD1 4Å; M230-Y584 HydrophobicContact CE-CD2 3.8Å; M230-Y584 HydrophobicContact CE-CE1 4.18Å; M230-Y584 HydrophobicContact CE-CE2 4.06Å; M230-Y584 HydrophobicContact CE-CG 3.81Å; M230-Y584 HydrophobicContact SD-CD1 4.37Å; M230-Y584 HydrophobicContact SD-CG 4.15Å; M230-M586 HydrophobicContact CB-CE 4Å; M230-M586 HydrophobicContact CB-SD 4.14Å; M230-I600 HydrophobicContact CB-CD1 4.46Å; M230-I600 HydrophobicContact SD-CD1 4.08Å; M230-I600 HydrophobicContact SD-CG2 3.83Å
231	V	98.1	Very high	97.1	Very high	24 Å²	24	20.9 Å²	20.9	15%	0.145	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.4	-178.8	-65.8	0	0	0	0	111.2	F240 F241 I285 F287	V231-F240 CarbonylContact O-C 3.56Å; V231-F240 WeakPolarHBondContact O-CA 3.31Å; V231-F241 HydrophobicContact CG2-CB 4.13Å; V231-F241 PolarHBondContact N-O 2.8Å; V231-F241 PolarHBondContact O-N 2.81Å; V231-I285 HydrophobicContact CG1-CG2 4.19Å; V231-I285 WeakPolarHBondContact CG1-O 3.36Å; V231-I285 HydrophobicContact CG2-CG1 4.34Å; V231-I285 HydrophobicContact CG2-CG2 3.69Å; V231-F287 HydrophobicContact CG2-CD2 4.02Å; V231-F287 HydrophobicContact CG2-CE2 3.72Å
232	H	97.4	Very high	97.1	Very high	32 Å²	32	20.9 Å²	20.9	15%	0.148	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	156.6	170.5	66.6	90.2	0	0	0	110.9	N234 F287 E577 D578 E579	H232-N234 PolarHBondContact ND1-N 3.04Å; H232-F287 WeakPolarHBondContact O-CD2 3.3Å; H232-E577 PolarHBondContact CD2-O 3.24Å; H232-E577 IonicContact NE2-OE1 3.12Å; H232-D578 PolarHBondContact CD2-O 3.13Å; H232-E579 HydrophobicContact CB-CB 4.05Å
233	A	97.1	Very high	97.2	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.033	11%	0.11	C	C	.	.			trans	-86.2	-10.4	-178.6	0	0	0	0	0	114.1	D235 F241 F287 Y291	A233-D235 HydrophobicContact CB-CB 4.38Å; A233-D235 PolarHBondContact O-N 3.18Å; A233-F241 HydrophobicContact CB-CE2 3.77Å; A233-F241 HydrophobicContact CB-CZ 4.42Å; A233-F287 HydrophobicContact CB-CD1 4.34Å; A233-F287 HydrophobicContact CB-CD2 4.17Å; A233-F287 HydrophobicContact CB-CE1 4.43Å; A233-F287 HydrophobicContact CB-CE2 4.26Å; A233-F287 HydrophobicContact CB-CG 4.19Å; A233-F287 HydrophobicContact CB-CZ 4.38Å; A233-Y291 HydrophobicContact CB-CD1 3.65Å; A233-Y291 HydrophobicContact CB-CE1 3.64Å
234	N	95.8	Very high	97.3	Very high	96 Å²	96	18 Å²	18	51%	0.513	9%	0.092	S	C	.	.			trans	52.2	39.6	-176.3	-163.2	37.6	0	0	0	112.3	H232 E579	H232-N234 PolarHBondContact ND1-N 3.04Å; N234-E579 VanDerWaalsContact CA-OE1 3.23Å; N234-E579 WeakPolarHBondContact CA-OE1 3.38Å
235	D	96.6	Very high	97.3	Very high	12 Å²	12	18.1 Å²	18.1	6%	0.064	9%	0.093	C	C	.	.	S	Bend	trans	-105	-0.6	-176.3	64.6	-1.7	0	0	0	112.9	A233 T237 R239 Y291 K292 E579 L620	A233-D235 HydrophobicContact CB-CB 4.38Å; A233-D235 PolarHBondContact O-N 3.18Å; D235-T237 VanDerWaalsContact OD1-CB 3.26Å; D235-T237 WeakPolarHBondContact OD1-CB 3.39Å; D235-T237 WeakPolarHBondContact OD1-CG2 3.38Å; D235-T237 PolarHBondContact OD1-N 2.94Å; D235-T237 PolarHBondContact OD1-OG1 2.96Å; D235-T237 PolarHBondContact OD2-OG1 3.04Å; D235-R239 IonicContact OD2-CZ 3.66Å; D235-R239 IonicContact OD2-NH2 2.93Å; D235-R239 PolarHBondContact OD2-NH2 2.76Å; D235-Y291 HydrophobicContact CB-CD1 4.29Å; D235-K292 HydrophobicContact CB-CB 4.27Å; D235-E579 PolarHBondContact N-OE1 2.93Å; D235-L620 WeakPolarHBondContact O-CD1 3.41Å
236	G	96	Very high	97.3	Very high	21 Å²	21	14 Å²	14	22%	0.216	8%	0.079	C	C	.	.	S	Bend	trans	88	1.5	-174.9	0	0	0	0	0	113.9	E579 L620	G236-E579 VanDerWaalsContact CA-OE1 3.23Å; G236-E579 WeakPolarHBondContact CA-OE1 3.49Å; G236-E579 PolarHBondContact N-OE1 3.33Å; G236-L620 WeakPolarHBondContact O-CB 3.49Å; G236-L620 PolarHBondContact O-N 2.88Å
237	T	96.8	Very high	97.4	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.031	8%	0.077	C	C	.	.	S	Bend	trans	-85.9	-15.8	-178.2	65.8	0	0	0	0	113.3	D235 R239 P254 M323 L620 V622	D235-T237 VanDerWaalsContact OD1-CB 3.26Å; D235-T237 WeakPolarHBondContact OD1-CB 3.39Å; D235-T237 WeakPolarHBondContact OD1-CG2 3.38Å; D235-T237 PolarHBondContact OD1-N 2.94Å; D235-T237 PolarHBondContact OD1-OG1 2.96Å; D235-T237 PolarHBondContact OD2-OG1 3.04Å; T237-R239 PolarHBondContact O-N 2.91Å; T237-R239 VanDerWaalsContact O-N 3.08Å; T237-R239 WeakPolarHBondContact OG1-CG 3.5Å; T237-R239 PolarHBondContact OG1-N 3.01Å; T237-R239 PolarHBondContact OG1-NE 2.85Å; T237-P254 WeakPolarHBondContact O-CG 3.43Å; T237-M323 HydrophobicContact CG2-CE 4.27Å; T237-L620 HydrophobicContact CG2-CB 4.25Å; T237-V622 HydrophobicContact CG2-CG2 4.13Å
238	H	96.2	Very high	97.5	Very high	30 Å²	30	14.2 Å²	14.2	14%	0.139	8%	0.081	C	C	.	.			trans	54.5	23.4	-173.4	-66.1	-103.2	0	0	0	113.4	P254 E579 S580 Y617 P619	H238-P254 HydrophobicContact CB-CB 4.4Å; H238-P254 HydrophobicContact CB-CG 3.86Å; H238-E579 WeakPolarHBondContact CA-OE2 3.29Å; H238-E579 IonicContact CD2-OE2 3.57Å; H238-E579 IonicContact CG-OE2 3.97Å; H238-E579 PolarHBondContact N-OE2 3.22Å; H238-S580 PolarHBondContact CE1-OG 3.37Å; H238-S580 PolarHBondContact ND1-OG 2.77Å; H238-Y617 HydrophobicContact CB-CD2 4.32Å; H238-Y617 HydrophobicContact CB-CE2 3.64Å; H238-Y617 AromaticContact CD2-CD2 3.46Å; H238-Y617 VanDerWaalsContact CD2-CD2 3.46Å; H238-Y617 WeakPolarHBondContact CD2-CD2 3.31Å; H238-Y617 AromaticContact CD2-CE2 3.71Å; H238-Y617 AromaticContact CE1-CD1 3.95Å; H238-Y617 AromaticContact CE1-CD2 3.33Å; H238-Y617 WeakPolarHBondContact CE1-CD2 3.14Å; H238-Y617 AromaticContact CE1-CE2 3.63Å; H238-Y617 AromaticContact CE1-CG 3.5Å; H238-Y617 VanDerWaalsContact CE1-CG 3.5Å; H238-Y617 AromaticContact CG-CD2 3.5Å; H238-Y617 AromaticContact CG-CE2 3.23Å; H238-Y617 AromaticContact CG-CZ 3.97Å; H238-Y617 AromaticContact ND1-CD2 3.42Å; H238-Y617 WeakPolarHBondContact ND1-CD2 3.46Å; H238-Y617 AromaticContact ND1-CE2 3.18Å; H238-Y617 WeakPolarHBondContact ND1-CE2 3.17Å; H238-Y617 AromaticContact ND1-CG 3.93Å; H238-Y617 AromaticContact ND1-CZ 3.5Å; H238-Y617 AromaticContact NE2-CD2 3.36Å; H238-Y617 WeakPolarHBondContact NE2-CD2 3.38Å; H238-Y617 AromaticContact NE2-CE2 3.94Å; H238-Y617 AromaticContact NE2-CG 3.74Å; H238-P619 HydrophobicContact CB-CB 4.45Å
239	R	97.6	Very high	97.6	Very high	1 Å²	1	14 Å²	14	0%	0.004	8%	0.08	C	C	.	.			trans	-71.3	141.2	167	-67.6	180	-67.3	156	8.2	109	D235 T237 F241 T251 Y252 L253 M323 N324 V622	D235-R239 IonicContact OD2-CZ 3.66Å; D235-R239 IonicContact OD2-NH2 2.93Å; D235-R239 PolarHBondContact OD2-NH2 2.76Å; T237-R239 PolarHBondContact O-N 2.91Å; T237-R239 VanDerWaalsContact O-N 3.08Å; T237-R239 WeakPolarHBondContact OG1-CG 3.5Å; T237-R239 PolarHBondContact OG1-N 3.01Å; T237-R239 PolarHBondContact OG1-NE 2.85Å; R239-F241 HydrophobicContact CB-CE2 4.07Å; R239-F241 HydrophobicContact CB-CZ 4.17Å; R239-T251 HydrophobicContact CB-CG2 4.34Å; R239-T251 HydrophobicContact CG-CG2 4.37Å; R239-Y252 WeakPolarHBondContact CA-O 3.28Å; R239-L253 HydrophobicContact CG-CD2 4.14Å; R239-M323 PolarHBondContact NH1-O 2.81Å; R239-N324 PolarHBondContact NH1-OD1 2.03Å; R239-V622 HydrophobicContact CG-CG2 3.73Å
240	F	98.2	Very high	97.7	Very high	13 Å²	13	15.4 Å²	15.4	6%	0.057	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149	168.4	63	-85.8	0	0	0	110.4	V220 M230 V231 V242 Y252	V220-F240 HydrophobicContact CG1-CE1 4.49Å; V220-F240 HydrophobicContact CG1-CE2 4.25Å; V220-F240 HydrophobicContact CG1-CZ 3.75Å; M230-F240 HydrophobicContact CE-CB 3.83Å; M230-F240 HydrophobicContact CE-CD1 4.42Å; M230-F240 HydrophobicContact CE-CD2 3.71Å; M230-F240 HydrophobicContact CE-CE2 4.32Å; M230-F240 HydrophobicContact CE-CG 3.75Å; M230-F240 HydrophobicContact CG-CB 4.32Å; M230-F240 HydrophobicContact CG-CD2 4.11Å; M230-F240 HydrophobicContact SD-CD2 3.94Å; M230-F240 HydrophobicContact SD-CE2 4.41Å; V231-F240 CarbonylContact O-C 3.56Å; V231-F240 WeakPolarHBondContact O-CA 3.31Å; F240-V242 HydrophobicContact CD2-CG2 3.84Å; F240-V242 HydrophobicContact CE2-CG2 4Å; F240-Y252 HydrophobicContact CD2-CD2 4.18Å; F240-Y252 HydrophobicContact CD2-CG 4.02Å; F240-Y252 VanDerWaalsContact CE1-CB 3.43Å; F240-Y252 HydrophobicContact CE1-CG 4.3Å; F240-Y252 AromaticContact CE2-CD1 3.78Å; F240-Y252 HydrophobicContact CE2-CD1 3.78Å; F240-Y252 AromaticContact CE2-CD2 3.78Å; F240-Y252 HydrophobicContact CE2-CD2 3.78Å; F240-Y252 AromaticContact CE2-CG 3.35Å; F240-Y252 HydrophobicContact CE2-CG 3.35Å; F240-Y252 AromaticContact CZ-CD1 3.67Å; F240-Y252 HydrophobicContact CZ-CD1 3.67Å; F240-Y252 HydrophobicContact CZ-CD2 4.4Å; F240-Y252 AromaticContact CZ-CG 3.52Å; F240-Y252 HydrophobicContact CZ-CG 3.52Å; F240-Y252 PolarHBondContact N-O 2.94Å; F240-Y252 PolarHBondContact O-N 3.16Å
241	F	98.8	Very high	97.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.6	-173.1	-58.5	-94.1	0	0	0	108.6	M230 V231 A233 R239 V249 W250 T251 F263 F287	M230-F241 VanDerWaalsContact CA-O 3.28Å; M230-F241 WeakPolarHBondContact CA-O 3.43Å; V231-F241 HydrophobicContact CG2-CB 4.13Å; V231-F241 PolarHBondContact N-O 2.8Å; V231-F241 PolarHBondContact O-N 2.81Å; A233-F241 HydrophobicContact CB-CE2 3.77Å; A233-F241 HydrophobicContact CB-CZ 4.42Å; R239-F241 HydrophobicContact CB-CE2 4.07Å; R239-F241 HydrophobicContact CB-CZ 4.17Å; F241-V249 HydrophobicContact CB-CG1 3.91Å; F241-W250 CarbonylContact C-O 3.57Å; F241-W250 VanDerWaalsContact CA-O 3.23Å; F241-W250 WeakPolarHBondContact CA-O 3.35Å; F241-T251 HydrophobicContact CD1-CG2 4.23Å; F241-T251 HydrophobicContact CE1-CG2 3.78Å; F241-T251 WeakPolarHBondContact CE1-OG1 3.41Å; F241-T251 HydrophobicContact CZ-CG2 4.3Å; F241-F263 HydrophobicContact CD1-CB 4.16Å; F241-F263 AromaticContact CD1-CD1 3.79Å; F241-F263 HydrophobicContact CD1-CD1 3.79Å; F241-F263 HydrophobicContact CD1-CD2 4.06Å; F241-F263 HydrophobicContact CD1-CE1 4.17Å; F241-F263 HydrophobicContact CD1-CE2 4.45Å; F241-F263 AromaticContact CD1-CG 3.73Å; F241-F263 HydrophobicContact CD1-CG 3.73Å; F241-F263 HydrophobicContact CE1-CB 4.48Å; F241-F263 HydrophobicContact CE1-CD1 4.09Å; F241-F263 AromaticContact CE1-CD2 3.61Å; F241-F263 HydrophobicContact CE1-CD2 3.61Å; F241-F263 HydrophobicContact CE1-CE1 4.19Å; F241-F263 AromaticContact CE1-CE2 3.78Å; F241-F263 HydrophobicContact CE1-CE2 3.78Å; F241-F263 AromaticContact CE1-CG 3.8Å; F241-F263 HydrophobicContact CE1-CG 3.8Å; F241-F263 HydrophobicContact CE1-CZ 4.07Å; F241-F287 HydrophobicContact CB-CE2 4.34Å; F241-F287 HydrophobicContact CD1-CZ 4.14Å; F241-F287 AromaticContact CD2-CE2 3.41Å; F241-F287 HydrophobicContact CD2-CE2 3.41Å; F241-F287 VanDerWaalsContact CD2-CE2 3.41Å; F241-F287 AromaticContact CD2-CZ 3.59Å; F241-F287 HydrophobicContact CD2-CZ 3.59Å; F241-F287 HydrophobicContact CE1-CZ 4.2Å; F241-F287 AromaticContact CE2-CE2 3.79Å; F241-F287 HydrophobicContact CE2-CE2 3.79Å; F241-F287 AromaticContact CE2-CZ 3.68Å; F241-F287 HydrophobicContact CE2-CZ 3.68Å; F241-F287 AromaticContact CG-CE2 3.89Å; F241-F287 HydrophobicContact CG-CE2 3.89Å; F241-F287 AromaticContact CG-CZ 3.83Å; F241-F287 HydrophobicContact CG-CZ 3.83Å; F241-F287 AromaticContact CZ-CZ 3.97Å; F241-F287 HydrophobicContact CZ-CZ 3.97Å
242	V	98.7	Very high	97.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119	-176	-179.8	0	0	0	0	109.1	L224 P227 A229 M230 F240 V249 W250 Y252 I600	L224-V242 HydrophobicContact CD1-CG1 3.9Å; L224-V242 HydrophobicContact CD2-CG1 4.04Å; P227-V242 HydrophobicContact CB-CG1 4.07Å; A229-V242 CarbonylContact O-C 3.52Å; A229-V242 WeakPolarHBondContact O-CA 3.1Å; M230-V242 HydrophobicContact CB-CG2 4.45Å; M230-V242 HydrophobicContact CG-CG2 4.45Å; F240-V242 HydrophobicContact CD2-CG2 3.84Å; F240-V242 HydrophobicContact CE2-CG2 4Å; V242-V249 CarbonylContact O-C 3.52Å; V242-V249 VanDerWaalsContact O-CA 3.31Å; V242-V249 WeakPolarHBondContact O-CA 3.07Å; V242-W250 PolarHBondContact N-O 2.7Å; V242-W250 PolarHBondContact O-N 2.91Å; V242-Y252 HydrophobicContact CB-CD2 4.33Å; V242-Y252 HydrophobicContact CB-CE2 3.93Å; V242-Y252 HydrophobicContact CG2-CD2 3.73Å; V242-Y252 HydrophobicContact CG2-CE2 3.62Å; V242-I600 HydrophobicContact CB-CD1 4.29Å; V242-I600 HydrophobicContact CG1-CD1 3.79Å; V242-I600 HydrophobicContact CG2-CD1 3.46Å; V242-I600 VanDerWaalsContact CG2-CD1 3.46Å
243	A	98.3	Very high	97.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	125.7	177.8	0	0	0	0	0	111.6	P227 L228 A229 L248 V249 F282 I285	P227-A243 WeakPolarHBondContact CA-O 3.35Å; L228-A243 PolarHBondContact N-O 3.06Å; A229-A243 HydrophobicContact CB-CB 4.15Å; A229-A243 PolarHBondContact N-O 2.03Å; A229-A243 PolarHBondContact O-N 2.88Å; A243-L248 CarbonylContact C-O 3.52Å; A243-L248 WeakPolarHBondContact CA-O 3.15Å; A243-V249 HydrophobicContact CB-CG2 3.96Å; A243-F282 HydrophobicContact CB-CD1 3.58Å; A243-F282 HydrophobicContact CB-CE1 3.36Å; A243-F282 HydrophobicContact CB-CZ 4.27Å; A243-I285 HydrophobicContact CB-CG2 4.2Å
244	E	98.4	Very high	97.6	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.028	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	143.5	174.4	-66.5	-175.8	146	0	0	110.2	L224 R225 V246 G247 L248 W250	L224-E244 WeakPolarHBondContact CA-OE1 3.22Å; L224-E244 HydrophobicContact CD2-CG 4.45Å; R225-E244 HydrophobicContact CB-CB 4.36Å; R225-E244 HydrophobicContact CB-CG 4.36Å; R225-E244 PolarHBondContact N-OE1 2.87Å; R225-E244 VanDerWaalsContact O-CB 3.24Å; R225-E244 WeakPolarHBondContact O-CB 3.32Å; E244-V246 HydrophobicContact CB-CG2 3.91Å; E244-V246 PolarHBondContact O-N 3.11Å; E244-G247 PolarHBondContact O-N 2.81Å; E244-L248 HydrophobicContact CB-CB 4.45Å; E244-L248 PolarHBondContact N-O 2.76Å; E244-W250 PolarHBondContact OE2-NE1 2.97Å
245	Q	98.1	Very high	97.4	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.014	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.4	-177	-174.1	173.4	20.1	0	0	113.8	R225 N226 L228 G247 D278 R280 F282 A593	R225-Q245 PolarHBondContact O-N 3.35Å; N226-Q245 HydrophobicContact CB-CB 4.14Å; N226-Q245 PolarHBondContact ND2-OE1 3.28Å; N226-Q245 PolarHBondContact O-N 2.94Å; L228-Q245 HydrophobicContact CD1-CB 3.55Å; L228-Q245 HydrophobicContact CD1-CG 3.58Å; L228-Q245 HydrophobicContact CG-CB 4.06Å; Q245-G247 PolarHBondContact O-N 2.71Å; Q245-D278 PolarHBondContact NE2-O 2.74Å; Q245-R280 PolarHBondContact NE2-O 2.78Å; Q245-F282 PolarHBondContact O-N 2.9Å; Q245-A593 HydrophobicContact CB-CB 4.08Å; Q245-A593 HydrophobicContact CG-CB 3.83Å
246	V	98	Very high	97.3	Very high	21 Å²	21	18 Å²	18	13%	0.127	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.8	178.4	-68.8	0	0	0	0	114.7	R225 E244 L248 T267 A593	R225-V246 HydrophobicContact CB-CG2 4.45Å; E244-V246 HydrophobicContact CB-CG2 3.91Å; E244-V246 PolarHBondContact O-N 3.11Å; V246-L248 HydrophobicContact CG2-CB 4.46Å; V246-L248 HydrophobicContact CG2-CD1 4.14Å; V246-L248 HydrophobicContact CG2-CG 4.2Å; V246-T267 WeakPolarHBondContact O-CA 3.02Å; V246-T267 WeakPolarHBondContact O-CB 3.05Å; V246-T267 VanDerWaalsContact O-CG2 3.28Å; V246-T267 WeakPolarHBondContact O-CG2 3.42Å; V246-A593 HydrophobicContact CG1-CB 4.31Å; V246-A593 WeakPolarHBondContact CG1-O 3.45Å
247	G	98.1	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	29.1	-178.7	0	0	0	0	0	114.7	E244 Q245 I266	E244-G247 PolarHBondContact O-N 2.81Å; Q245-G247 PolarHBondContact O-N 2.71Å; G247-I266 PolarHBondContact O-N 2.81Å
248	L	98.4	Very high	97.4	Very high	16 Å²	16	18.8 Å²	18.8	8%	0.084	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.4	171.6	-66.9	173.1	0	0	0	109.8	A243 E244 V246 W250 P262 N265 T267	A243-L248 CarbonylContact C-O 3.52Å; A243-L248 WeakPolarHBondContact CA-O 3.15Å; E244-L248 HydrophobicContact CB-CB 4.45Å; E244-L248 PolarHBondContact N-O 2.76Å; V246-L248 HydrophobicContact CG2-CB 4.46Å; V246-L248 HydrophobicContact CG2-CD1 4.14Å; V246-L248 HydrophobicContact CG2-CG 4.2Å; L248-W250 HydrophobicContact CB-CZ2 4.48Å; L248-W250 HydrophobicContact CD1-CZ2 3.84Å; L248-P262 HydrophobicContact CD2-CB 4.33Å; L248-P262 HydrophobicContact CD2-CG 4.36Å; L248-N265 HydrophobicContact CD2-CB 3.89Å; L248-T267 HydrophobicContact CD1-CG2 4.41Å; L248-T267 HydrophobicContact CD2-CG2 3.66Å; L248-T267 HydrophobicContact CG-CG2 3.65Å
249	V	98.8	Very high	97.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.3	169.8	-174.3	0	0	0	0	108.5	F241 V242 A243 P262 F263 L264 F282 I285	F241-V249 HydrophobicContact CB-CG1 3.91Å; V242-V249 CarbonylContact O-C 3.52Å; V242-V249 VanDerWaalsContact O-CA 3.31Å; V242-V249 WeakPolarHBondContact O-CA 3.07Å; A243-V249 HydrophobicContact CB-CG2 3.96Å; V249-P262 CarbonylContact O-C 3.55Å; V249-P262 WeakPolarHBondContact O-CA 3.21Å; V249-P262 WeakPolarHBondContact O-CB 3.39Å; V249-F263 HydrophobicContact CB-CB 4.31Å; V249-F263 HydrophobicContact CB-CD1 4.46Å; V249-F263 HydrophobicContact CG1-CB 4.2Å; V249-F263 HydrophobicContact CG1-CD1 4.06Å; V249-F263 WeakPolarHBondContact O-CB 3.04Å; V249-F263 PolarHBondContact O-N 3.4Å; V249-L264 HydrophobicContact CB-CB 3.92Å; V249-L264 HydrophobicContact CG2-CB 3.88Å; V249-L264 HydrophobicContact CG2-CD2 4.18Å; V249-L264 HydrophobicContact CG2-CG 4.48Å; V249-L264 PolarHBondContact N-O 3.17Å; V249-L264 PolarHBondContact O-N 2.85Å; V249-F282 HydrophobicContact CG2-CE1 4.31Å; V249-F282 HydrophobicContact CG2-CE2 4.21Å; V249-F282 HydrophobicContact CG2-CZ 3.85Å; V249-I285 HydrophobicContact CG1-CD1 4.19Å; V249-I285 HydrophobicContact CG2-CD1 4.24Å
250	W	98.6	Very high	97.5	Very high	35 Å²	35	22 Å²	22	13%	0.133	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.1	179.3	-61.4	107.6	0	0	0	110.5	F241 V242 E244 L248 Y252 K258 E260 P262	F241-W250 CarbonylContact C-O 3.57Å; F241-W250 VanDerWaalsContact CA-O 3.23Å; F241-W250 WeakPolarHBondContact CA-O 3.35Å; V242-W250 PolarHBondContact N-O 2.7Å; V242-W250 PolarHBondContact O-N 2.91Å; E244-W250 PolarHBondContact OE2-NE1 2.97Å; L248-W250 HydrophobicContact CB-CZ2 4.48Å; L248-W250 HydrophobicContact CD1-CZ2 3.84Å; W250-Y252 HydrophobicContact CB-CD2 4.28Å; W250-Y252 HydrophobicContact CB-CE2 3.77Å; W250-K258 HydrophobicContact CB-CD 4.09Å; W250-K258 HydrophobicContact CB-CG 4.39Å; W250-K258 HydrophobicContact CD2-CD 4.18Å; W250-K258 HydrophobicContact CE3-CD 4.24Å; W250-K258 HydrophobicContact CG-CD 4.11Å; W250-E260 WeakPolarHBondContact CZ3-O 3.29Å; W250-P262 HydrophobicContact CD2-CB 4.45Å; W250-P262 HydrophobicContact CE3-CB 3.95Å; W250-P262 HydrophobicContact CH2-CB 4.24Å; W250-P262 HydrophobicContact CZ3-CB 3.82Å; W250-P262 HydrophobicContact CZ3-CG 4.27Å
251	T	98.6	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.8	171.5	-54.7	0	0	0	0	109.4	R239 F241 L259 F263	R239-T251 HydrophobicContact CB-CG2 4.34Å; R239-T251 HydrophobicContact CG-CG2 4.37Å; F241-T251 HydrophobicContact CD1-CG2 4.23Å; F241-T251 HydrophobicContact CE1-CG2 3.78Å; F241-T251 WeakPolarHBondContact CE1-OG1 3.41Å; F241-T251 HydrophobicContact CZ-CG2 4.3Å; T251-L259 HydrophobicContact CG2-CD1 3.38Å; T251-L259 PolarHBondContact O-N 3.36Å; T251-F263 WeakPolarHBondContact OG1-CB 3.42Å
252	Y	98.5	Very high	97.4	Very high	6 Å²	6	28.4 Å²	28.4	2%	0.024	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	144.2	172.1	-71.6	-107.8	0	0	0	110.1	A221 R239 F240 V242 W250 R256 S257 K258	A221-Y252 HydrophobicContact CB-CE1 3.68Å; R239-Y252 WeakPolarHBondContact CA-O 3.28Å; F240-Y252 HydrophobicContact CD2-CD2 4.18Å; F240-Y252 HydrophobicContact CD2-CG 4.02Å; F240-Y252 VanDerWaalsContact CE1-CB 3.43Å; F240-Y252 HydrophobicContact CE1-CG 4.3Å; F240-Y252 AromaticContact CE2-CD1 3.78Å; F240-Y252 HydrophobicContact CE2-CD1 3.78Å; F240-Y252 AromaticContact CE2-CD2 3.78Å; F240-Y252 HydrophobicContact CE2-CD2 3.78Å; F240-Y252 AromaticContact CE2-CG 3.35Å; F240-Y252 HydrophobicContact CE2-CG 3.35Å; F240-Y252 AromaticContact CZ-CD1 3.67Å; F240-Y252 HydrophobicContact CZ-CD1 3.67Å; F240-Y252 HydrophobicContact CZ-CD2 4.4Å; F240-Y252 AromaticContact CZ-CG 3.52Å; F240-Y252 HydrophobicContact CZ-CG 3.52Å; F240-Y252 PolarHBondContact N-O 2.94Å; F240-Y252 PolarHBondContact O-N 3.16Å; V242-Y252 HydrophobicContact CB-CD2 4.33Å; V242-Y252 HydrophobicContact CB-CE2 3.93Å; V242-Y252 HydrophobicContact CG2-CD2 3.73Å; V242-Y252 HydrophobicContact CG2-CE2 3.62Å; W250-Y252 HydrophobicContact CB-CD2 4.28Å; W250-Y252 HydrophobicContact CB-CE2 3.77Å; Y252-R256 WeakPolarHBondContact CD1-O 3.37Å; Y252-S257 WeakPolarHBondContact CA-O 3.34Å; Y252-K258 HydrophobicContact CD1-CB 4.01Å; Y252-K258 HydrophobicContact CD2-CG 4.43Å; Y252-K258 HydrophobicContact CE1-CB 3.76Å; Y252-K258 HydrophobicContact CE1-CD 4.28Å; Y252-K258 HydrophobicContact CE1-CG 4.19Å; Y252-K258 HydrophobicContact CE2-CB 4.49Å; Y252-K258 HydrophobicContact CE2-CD 3.96Å; Y252-K258 HydrophobicContact CE2-CG 4.04Å; Y252-K258 HydrophobicContact CG-CB 4.49Å; Y252-K258 WeakPolarHBondContact OH-CD 3.2Å
253	L	97.3	Very high	97.4	Very high	14 Å²	14	28.4 Å²	28.4	7%	0.073	14%	0.138	C	C	.	.			trans	-89.1	166.1	175.4	-60.5	-171.5	0	0	0	110.9	R239 D255 R256 S257 L259 V622 V624 L628	R239-L253 HydrophobicContact CG-CD2 4.14Å; L253-D255 VanDerWaalsContact CB-OD1 3.29Å; L253-D255 WeakPolarHBondContact CB-OD1 3.39Å; L253-D255 PolarHBondContact O-N 3.16Å; L253-D255 VanDerWaalsContact O-N 3.13Å; L253-R256 WeakPolarHBondContact O-CA 3.35Å; L253-R256 PolarHBondContact O-N 3.21Å; L253-S257 PolarHBondContact N-O 2.85Å; L253-L259 HydrophobicContact CD2-CD1 4.21Å; L253-V622 HydrophobicContact CD2-CB 4.08Å; L253-V622 HydrophobicContact CD2-CG1 3.8Å; L253-V622 HydrophobicContact CD2-CG2 4.2Å; L253-V624 HydrophobicContact CD1-CG2 3.89Å; L253-L628 HydrophobicContact CD1-CD1 4.26Å; L253-L628 HydrophobicContact CD1-CD2 3.73Å; L253-L628 HydrophobicContact CG-CD2 4.43Å
254	P	93.1	Very high	97.4	Very high	48 Å²	48	28.4 Å²	28.4	31%	0.312	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.6	179.1	-26.4	35.3	0	0	0	114.4	T237 H238 R256 P619	T237-P254 WeakPolarHBondContact O-CG 3.43Å; H238-P254 HydrophobicContact CB-CB 4.4Å; H238-P254 HydrophobicContact CB-CG 3.86Å; P254-R256 PolarHBondContact O-N 2.93Å; P254-P619 HydrophobicContact CB-CG 4.17Å; P254-P619 HydrophobicContact CG-CB 4.01Å; P254-P619 HydrophobicContact CG-CG 3.95Å
255	D	92.1	Very high	97.4	Very high	94 Å²	94	31.4 Å²	31.4	50%	0.503	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	7.9	174.1	69.6	-5.1	0	0	0	113.5	L253 S257	L253-D255 VanDerWaalsContact CB-OD1 3.29Å; L253-D255 WeakPolarHBondContact CB-OD1 3.39Å; L253-D255 PolarHBondContact O-N 3.16Å; L253-D255 VanDerWaalsContact O-N 3.13Å; D255-S257 PolarHBondContact O-N 3.14Å; D255-S257 VanDerWaalsContact OD1-CB 3.26Å; D255-S257 WeakPolarHBondContact OD1-CB 3.43Å; D255-S257 PolarHBondContact OD1-N 3.45Å; D255-S257 PolarHBondContact OD1-OG 3.03Å; D255-S257 PolarHBondContact OD2-OG 3.03Å
256	R	95.4	Very high	97.4	Very high	65 Å²	65	32 Å²	32	25%	0.245	16%	0.157	C	C	.	.			trans	69.7	2.3	-177.6	-48.1	172.4	-167.8	169.3	9.6	114.7	E218 E219 V220 Y252 L253 P254 F631	E218-R256 IonicContact OE1-CZ 3.9Å; E218-R256 IonicContact OE1-NH1 2.83Å; E218-R256 PolarHBondContact OE1-NH1 3.17Å; E218-R256 IonicContact OE1-NH2 3.9Å; E218-R256 PolarHBondContact OE1-NH2 3.28Å; E218-R256 IonicContact OE2-CZ 2.66Å; E218-R256 IonicContact OE2-NH1 2.8Å; E218-R256 IonicContact OE2-NH2 3.7Å; E218-R256 PolarHBondContact OE2-NH2 2.91Å; E218-R256 VanDerWaalsContact OE2-NH2 3.12Å; E219-R256 PolarHBondContact O-NH1 3.03Å; V220-R256 HydrophobicContact CG1-CG 4.29Å; Y252-R256 WeakPolarHBondContact CD1-O 3.37Å; L253-R256 WeakPolarHBondContact O-CA 3.35Å; L253-R256 PolarHBondContact O-N 3.21Å; P254-R256 PolarHBondContact O-N 2.93Å; R256-F631 HydrophobicContact CB-CB 3.89Å; R256-F631 HydrophobicContact CB-CD1 4.07Å; R256-F631 HydrophobicContact CB-CG 4.15Å; R256-F631 WeakPolarHBondContact O-CB 3.36Å
257	S	97.1	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-66.2	139	173.2	67.2	0	0	0	0	110.9	Y252 L253 D255 I629	Y252-S257 WeakPolarHBondContact CA-O 3.34Å; L253-S257 PolarHBondContact N-O 2.85Å; D255-S257 PolarHBondContact O-N 3.14Å; D255-S257 VanDerWaalsContact OD1-CB 3.26Å; D255-S257 WeakPolarHBondContact OD1-CB 3.43Å; D255-S257 PolarHBondContact OD1-N 3.45Å; D255-S257 PolarHBondContact OD1-OG 3.03Å; D255-S257 PolarHBondContact OD2-OG 3.03Å; S257-I629 CarbonylContact C-O 3.55Å; S257-I629 WeakPolarHBondContact CA-O 3.27Å
258	K	97.9	Very high	97.3	Very high	42 Å²	42	43.7 Å²	43.7	18%	0.183	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.1	179.6	-176.1	177	69.2	-178.5	0	110.5	W250 Y252 I629	W250-K258 HydrophobicContact CB-CD 4.09Å; W250-K258 HydrophobicContact CB-CG 4.39Å; W250-K258 HydrophobicContact CD2-CD 4.18Å; W250-K258 HydrophobicContact CE3-CD 4.24Å; W250-K258 HydrophobicContact CG-CD 4.11Å; Y252-K258 HydrophobicContact CD1-CB 4.01Å; Y252-K258 HydrophobicContact CD2-CG 4.43Å; Y252-K258 HydrophobicContact CE1-CB 3.76Å; Y252-K258 HydrophobicContact CE1-CD 4.28Å; Y252-K258 HydrophobicContact CE1-CG 4.19Å; Y252-K258 HydrophobicContact CE2-CB 4.49Å; Y252-K258 HydrophobicContact CE2-CD 3.96Å; Y252-K258 HydrophobicContact CE2-CG 4.04Å; Y252-K258 HydrophobicContact CG-CB 4.49Å; Y252-K258 WeakPolarHBondContact OH-CD 3.2Å; K258-I629 HydrophobicContact CB-CB 4.45Å; K258-I629 PolarHBondContact N-O 2.91Å; K258-I629 PolarHBondContact O-N 3.31Å
259	L	98	Very high	97.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.1	169.7	-74.2	141.2	0	0	0	110.7	T251 L253 K261 N324 V624 S626 L628	T251-L259 HydrophobicContact CG2-CD1 3.38Å; T251-L259 PolarHBondContact O-N 3.36Å; L253-L259 HydrophobicContact CD2-CD1 4.21Å; L259-K261 PolarHBondContact O-N 2.74Å; L259-N324 HydrophobicContact CD1-CB 4.15Å; L259-V624 HydrophobicContact CD2-CB 4.38Å; L259-V624 HydrophobicContact CD2-CG1 3.68Å; L259-V624 HydrophobicContact CD2-CG2 4.25Å; L259-S626 WeakPolarHBondContact CD2-OG 3.21Å; L259-L628 HydrophobicContact CD2-CD2 4.01Å; L259-L628 HydrophobicContact CG-CD2 4.07Å
260	E	96.8	Very high	97.2	Very high	98 Å²	98	45.8 Å²	45.8	46%	0.458	23%	0.229	S	C	.	.	S	Bend	trans	-60.6	-31.3	-179.5	-177.1	-174.4	-157.1	0	0	112.9	W250 N627 I629	W250-E260 WeakPolarHBondContact CZ3-O 3.29Å; E260-N627 HydrophobicContact CB-CB 4.23Å; E260-N627 WeakPolarHBondContact CB-O 3.47Å; E260-N627 PolarHBondContact N-O 3.21Å; E260-N627 WeakPolarHBondContact OE2-CB 3.33Å; E260-N627 PolarHBondContact OE2-ND2 2.99Å; E260-I629 HydrophobicContact CB-CD1 4.43Å
261	K	97.3	Very high	97.1	Very high	116 Å²	116	45.7 Å²	45.7	50%	0.504	23%	0.231	S	C	.	.	S	Bend	trans	-91.8	131.9	176.8	-68.4	-177.2	-178.8	175	0	110.2	L259 L325	L259-K261 PolarHBondContact O-N 2.74Å; K261-L325 HydrophobicContact CB-CD2 4.42Å
262	P	98	Very high	97	Very high	32 Å²	32	47.6 Å²	47.6	21%	0.208	24%	0.243	C	C	.	.			trans	-68	144	177.1	29.1	-34.4	0	0	0	110.7	L248 V249 W250 N265 L325	L248-P262 HydrophobicContact CD2-CB 4.33Å; L248-P262 HydrophobicContact CD2-CG 4.36Å; V249-P262 CarbonylContact O-C 3.55Å; V249-P262 WeakPolarHBondContact O-CA 3.21Å; V249-P262 WeakPolarHBondContact O-CB 3.39Å; W250-P262 HydrophobicContact CD2-CB 4.45Å; W250-P262 HydrophobicContact CE3-CB 3.95Å; W250-P262 HydrophobicContact CH2-CB 4.24Å; W250-P262 HydrophobicContact CZ3-CB 3.82Å; W250-P262 HydrophobicContact CZ3-CG 4.27Å; P262-N265 HydrophobicContact CG-CB 4.15Å; P262-L325 VanDerWaalsContact O-CD2 3.31Å; P262-L325 WeakPolarHBondContact O-CD2 3.46Å
263	F	98.6	Very high	96.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-60.4	-47	172.7	-176.8	-116.1	0	0	0	111.9	F241 V249 T251 F287 L297 V318 N324 V326	F241-F263 HydrophobicContact CD1-CB 4.16Å; F241-F263 AromaticContact CD1-CD1 3.79Å; F241-F263 HydrophobicContact CD1-CD1 3.79Å; F241-F263 HydrophobicContact CD1-CD2 4.06Å; F241-F263 HydrophobicContact CD1-CE1 4.17Å; F241-F263 HydrophobicContact CD1-CE2 4.45Å; F241-F263 AromaticContact CD1-CG 3.73Å; F241-F263 HydrophobicContact CD1-CG 3.73Å; F241-F263 HydrophobicContact CE1-CB 4.48Å; F241-F263 HydrophobicContact CE1-CD1 4.09Å; F241-F263 AromaticContact CE1-CD2 3.61Å; F241-F263 HydrophobicContact CE1-CD2 3.61Å; F241-F263 HydrophobicContact CE1-CE1 4.19Å; F241-F263 AromaticContact CE1-CE2 3.78Å; F241-F263 HydrophobicContact CE1-CE2 3.78Å; F241-F263 AromaticContact CE1-CG 3.8Å; F241-F263 HydrophobicContact CE1-CG 3.8Å; F241-F263 HydrophobicContact CE1-CZ 4.07Å; V249-F263 HydrophobicContact CB-CB 4.31Å; V249-F263 HydrophobicContact CB-CD1 4.46Å; V249-F263 HydrophobicContact CG1-CB 4.2Å; V249-F263 HydrophobicContact CG1-CD1 4.06Å; V249-F263 WeakPolarHBondContact O-CB 3.04Å; V249-F263 PolarHBondContact O-N 3.4Å; T251-F263 WeakPolarHBondContact OG1-CB 3.42Å; F263-F287 AromaticContact CE1-CE1 3.95Å; F263-F287 HydrophobicContact CE1-CE1 3.95Å; F263-F287 AromaticContact CE1-CZ 3.82Å; F263-F287 HydrophobicContact CE1-CZ 3.82Å; F263-F287 AromaticContact CZ-CE1 3.91Å; F263-F287 HydrophobicContact CZ-CE1 3.91Å; F263-F287 HydrophobicContact CZ-CZ 4.07Å; F263-L297 HydrophobicContact CE1-CD1 3.87Å; F263-L297 HydrophobicContact CE1-CD2 4.46Å; F263-L297 HydrophobicContact CZ-CD2 4.45Å; F263-V318 HydrophobicContact CE2-CG2 4.26Å; F263-N324 WeakPolarHBondContact CA-O 3.1Å; F263-N324 WeakPolarHBondContact CD2-O 3.42Å; F263-V326 HydrophobicContact CD1-CG2 3.79Å; F263-V326 HydrophobicContact CD2-CG2 4.39Å; F263-V326 HydrophobicContact CE1-CG2 3.44Å; F263-V326 VanDerWaalsContact CE1-CG2 3.44Å; F263-V326 HydrophobicContact CE2-CG2 4.06Å; F263-V326 HydrophobicContact CG-CG2 4.25Å; F263-V326 HydrophobicContact CZ-CG2 3.57Å; F263-V326 WeakPolarHBondContact O-CB 3.48Å; F263-V326 WeakPolarHBondContact O-CG2 3.47Å; F263-V326 PolarHBondContact O-N 3.05Å
264	L	98.8	Very high	96.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.9	177.7	179.7	65.6	0	0	0	108.8	V249 I266 F282 V299 F316 V326	V249-L264 HydrophobicContact CB-CB 3.92Å; V249-L264 HydrophobicContact CG2-CB 3.88Å; V249-L264 HydrophobicContact CG2-CD2 4.18Å; V249-L264 HydrophobicContact CG2-CG 4.48Å; V249-L264 PolarHBondContact N-O 3.17Å; V249-L264 PolarHBondContact O-N 2.85Å; L264-I266 HydrophobicContact CD1-CG2 3.85Å; L264-I266 HydrophobicContact CD2-CD1 4.43Å; L264-I266 HydrophobicContact CD2-CG1 4.47Å; L264-I266 HydrophobicContact CG-CG2 4.17Å; L264-F282 HydrophobicContact CD2-CE2 4.02Å; L264-F282 HydrophobicContact CD2-CZ 4.46Å; L264-V299 HydrophobicContact CD2-CG1 3.82Å; L264-F316 HydrophobicContact CD1-CD1 4.47Å; L264-F316 HydrophobicContact CD1-CE1 4.37Å; L264-V326 HydrophobicContact CB-CG2 4.17Å; L264-V326 HydrophobicContact CD1-CB 3.97Å; L264-V326 HydrophobicContact CD1-CG1 3.87Å; L264-V326 HydrophobicContact CD1-CG2 4.25Å
265	N	98.4	Very high	96.8	Very high	69 Å²	69	58.6 Å²	58.6	37%	0.369	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	104.8	175.4	179.5	-11.2	0	0	0	108.9	L248 P262 T267 H328	L248-N265 HydrophobicContact CD2-CB 3.89Å; P262-N265 HydrophobicContact CG-CB 4.15Å; N265-T267 WeakPolarHBondContact OD1-CG2 2.97Å; N265-T267 PolarHBondContact OD1-N 2.71Å; N265-T267 PolarHBondContact OD1-OG1 2.68Å; N265-T267 VanDerWaalsContact OD1-OG1 3.13Å; N265-H328 PolarHBondContact N-NE2 2.9Å; N265-H328 PolarHBondContact O-CD2 2.77Å; N265-H328 PolarHBondContact O-NE2 2.6Å
266	I	98.3	Very high	96.8	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.072	30%	0.299	C	S	.	.			trans	-124.7	25.7	177.6	56.8	167.5	0	0	0	111.6	G247 L264 K268 A269 V270 F282 V299 Y301 F316	G247-I266 PolarHBondContact O-N 2.81Å; L264-I266 HydrophobicContact CD1-CG2 3.85Å; L264-I266 HydrophobicContact CD2-CD1 4.43Å; L264-I266 HydrophobicContact CD2-CG1 4.47Å; L264-I266 HydrophobicContact CG-CG2 4.17Å; I266-K268 PolarHBondContact O-N 3.42Å; I266-A269 PolarHBondContact O-N 2.83Å; I266-V270 HydrophobicContact CD1-CG2 3.95Å; I266-V270 HydrophobicContact CG1-CG2 3.85Å; I266-V270 WeakPolarHBondContact O-CG2 3.4Å; I266-V270 PolarHBondContact O-N 3.41Å; I266-V270 VanDerWaalsContact O-N 3.12Å; I266-F282 HydrophobicContact CD1-CD2 3.78Å; I266-F282 HydrophobicContact CD1-CE2 3.81Å; I266-F282 HydrophobicContact CG1-CD2 4.11Å; I266-F282 HydrophobicContact CG1-CE2 4.29Å; I266-V299 HydrophobicContact CD1-CG2 4.49Å; I266-Y301 HydrophobicContact CD1-CD1 4.05Å; I266-Y301 HydrophobicContact CD1-CD2 4.11Å; I266-Y301 HydrophobicContact CD1-CE1 4.12Å; I266-Y301 HydrophobicContact CD1-CE2 4.1Å; I266-Y301 HydrophobicContact CD1-CG 4.07Å; I266-F316 HydrophobicContact CG2-CZ 4.17Å
267	T	97.8	Very high	96.4	Very high	58 Å²	58	59.9 Å²	59.9	36%	0.356	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-24.5	-177.9	61.2	0	0	0	0	114	V246 L248 N265	V246-T267 WeakPolarHBondContact O-CA 3.02Å; V246-T267 WeakPolarHBondContact O-CB 3.05Å; V246-T267 VanDerWaalsContact O-CG2 3.28Å; V246-T267 WeakPolarHBondContact O-CG2 3.42Å; L248-T267 HydrophobicContact CD1-CG2 4.41Å; L248-T267 HydrophobicContact CD2-CG2 3.66Å; L248-T267 HydrophobicContact CG-CG2 3.65Å; N265-T267 WeakPolarHBondContact OD1-CG2 2.97Å; N265-T267 PolarHBondContact OD1-N 2.71Å; N265-T267 PolarHBondContact OD1-OG1 2.68Å; N265-T267 VanDerWaalsContact OD1-OG1 3.13Å
268	K	96.4	Very high	96.3	Very high	210 Å²	210	60.8 Å²	60.8	91%	0.913	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.6	176.5	-65.9	-175	179.1	-179.8	0	114	I266	I266-K268 PolarHBondContact O-N 3.42Å
269	A	96.4	Very high	96.1	Very high	45 Å²	45	61.5 Å²	61.5	37%	0.372	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-30.8	-178.5	0	0	0	0	0	111.9	I266 L271 Y301	I266-A269 PolarHBondContact O-N 2.83Å; A269-L271 PolarHBondContact O-N 2.84Å; A269-Y301 HydrophobicContact CB-CE2 4.29Å
270	V	97.6	Very high	96.1	Very high	14 Å²	14	63.5 Å²	63.5	9%	0.085	33%	0.329	C	S	.	.			trans	-69.1	125.9	-177.7	172.2	0	0	0	0	111	I266 T272 G281 F282 Y301	I266-V270 HydrophobicContact CD1-CG2 3.95Å; I266-V270 HydrophobicContact CG1-CG2 3.85Å; I266-V270 WeakPolarHBondContact O-CG2 3.4Å; I266-V270 PolarHBondContact O-N 3.41Å; I266-V270 VanDerWaalsContact O-N 3.12Å; V270-T272 HydrophobicContact CG1-CG2 4.41Å; V270-G281 VanDerWaalsContact CG1-C 3.46Å; V270-F282 HydrophobicContact CG2-CB 4.42Å; V270-Y301 HydrophobicContact CG2-CD2 3.87Å; V270-Y301 HydrophobicContact CG2-CG 4.28Å
271	L	96.9	Very high	96.1	Very high	33 Å²	33	58.8 Å²	58.8	17%	0.173	31%	0.307	C	S	.	.			trans	-85.8	118.9	169.9	179	65.3	0	0	0	109.3	A269 R280 G281 S302 E304 E309	A269-L271 PolarHBondContact O-N 2.84Å; L271-R280 CarbonylContact O-C 3.57Å; L271-R280 WeakPolarHBondContact O-CB 3.25Å; L271-G281 VanDerWaalsContact O-CA 3.3Å; L271-G281 WeakPolarHBondContact O-CA 3.23Å; L271-G281 PolarHBondContact O-N 3.26Å; L271-G281 VanDerWaalsContact O-N 3.09Å; L271-S302 PolarHBondContact N-O 2.05Å; L271-E304 HydrophobicContact CD1-CB 4.43Å; L271-E304 HydrophobicContact CD2-CB 4.29Å; L271-E309 HydrophobicContact CD2-CB 4.42Å; L271-E309 HydrophobicContact CD2-CG 3.84Å
272	T	95.9	Very high	96.1	Very high	40 Å²	40	53.3 Å²	53.3	25%	0.245	28%	0.283	C	S	.	.			trans	-157.7	165.2	175.8	-172.5	0	0	0	0	109.3	V270 R280 A593	V270-T272 HydrophobicContact CG1-CG2 4.41Å; T272-R280 PolarHBondContact OG1-O 2.87Å; T272-A593 HydrophobicContact CG2-CB 4.4Å; T272-A593 VanDerWaalsContact OG1-CB 3.22Å; T272-A593 WeakPolarHBondContact OG1-CB 3.01Å
273	S	94.6	Very high	96.1	Very high	26 Å²	26	51.8 Å²	51.8	18%	0.182	27%	0.273	C	S	.	.			trans	-132.2	173.3	171.4	78.2	0	0	0	0	112.6	W275 D278 A593	S273-W275 VanDerWaalsContact C-N 3.25Å; S273-W275 WeakPolarHBondContact OG-CB 3.5Å; S273-W275 VanDerWaalsContact OG-CD1 3.3Å; S273-W275 PolarHBondContact OG-N 2.72Å; S273-D278 VanDerWaalsContact CB-OD2 3.23Å; S273-D278 WeakPolarHBondContact CB-OD2 3.36Å; S273-D278 PolarHBondContact N-OD2 3.49Å; S273-D278 VanDerWaalsContact N-OD2 3.12Å; S273-D278 PolarHBondContact OG-OD2 2.91Å; S273-A593 VanDerWaalsContact O-CB 3.28Å; S273-A593 WeakPolarHBondContact O-CB 3.47Å
274	S	94.6	Very high	96	Very high	75 Å²	75	51.8 Å²	51.8	52%	0.524	27%	0.273	S	S	.	.	S	Bend	trans	-82.3	-1.3	174.1	59.7	0	0	0	0	113.3	S592 T594	S274-S592 PolarHBondContact O-OG 3.19Å; S274-T594 WeakPolarHBondContact CB-OG1 3.37Å
275	W	95.1	Very high	96	Very high	199 Å²	199	52 Å²	52	75%	0.754	28%	0.275	S	S	*	.	S	Bend	trans	-65.8	137.2	179.3	-70.8	93.4	0	0	0	110.5	S273 G277 D278	S273-W275 VanDerWaalsContact C-N 3.25Å; S273-W275 WeakPolarHBondContact OG-CB 3.5Å; S273-W275 VanDerWaalsContact OG-CD1 3.3Å; S273-W275 PolarHBondContact OG-N 2.72Å; W275-G277 PolarHBondContact O-N 3.13Å; W275-D278 PolarHBondContact O-N 2.85Å
276	E	92.6	Very high	96	Very high	134 Å²	134	49.7 Å²	49.7	63%	0.626	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	131.9	175.9	-70.2	-178.9	-179.8	0	0	110.4	D278 P591	E276-D278 VanDerWaalsContact C-N 3.31Å; E276-D278 PolarHBondContact O-N 2.86Å; E276-P591 WeakPolarHBondContact CA-O 3.45Å
277	G	88	Confident	96.1	Very high	52 Å²	52	49.6 Å²	49.6	54%	0.536	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	11.5	-178.9	0	0	0	0	0	115.4	W275 E279 P591	W275-G277 PolarHBondContact O-N 3.13Å; G277-E279 PolarHBondContact O-N 3.41Å; G277-P591 PolarHBondContact N-O 3.5Å
278	D	94.4	Very high	96.1	Very high	19 Å²	19	47 Å²	47	10%	0.102	25%	0.246	C	C	.	.			trans	-63	119.2	166.5	-168.6	-6.4	0	0	0	109.1	Q245 S273 W275 E276 R280	Q245-D278 PolarHBondContact NE2-O 2.74Å; S273-D278 VanDerWaalsContact CB-OD2 3.23Å; S273-D278 WeakPolarHBondContact CB-OD2 3.36Å; S273-D278 PolarHBondContact N-OD2 3.49Å; S273-D278 VanDerWaalsContact N-OD2 3.12Å; S273-D278 PolarHBondContact OG-OD2 2.91Å; W275-D278 PolarHBondContact O-N 2.85Å; E276-D278 VanDerWaalsContact C-N 3.31Å; E276-D278 PolarHBondContact O-N 2.86Å; D278-R280 VanDerWaalsContact C-N 3.34Å; D278-R280 WeakPolarHBondContact OD1-CB 3.34Å; D278-R280 IonicContact OD1-CZ 3.17Å; D278-R280 PolarHBondContact OD1-N 2.92Å; D278-R280 VanDerWaalsContact OD1-N 3.11Å; D278-R280 IonicContact OD1-NE 3.38Å; D278-R280 PolarHBondContact OD1-NE 3.09Å; D278-R280 IonicContact OD1-NH2 2.88Å; D278-R280 PolarHBondContact OD1-NH2 3.22Å; D278-R280 IonicContact OD2-CZ 2.82Å; D278-R280 IonicContact OD2-NE 2.74Å; D278-R280 IonicContact OD2-NH2 2.76Å; D278-R280 PolarHBondContact OD2-NH2 2.8Å
279	E	94.2	Very high	96.2	Very high	56 Å²	56	40.4 Å²	40.4	26%	0.262	22%	0.224	S	C	.	.			trans	-83.8	-12.2	-177.9	-67.1	-177.5	-150.4	0	0	112.5	G277 L283 H344 N345 N426	G277-E279 PolarHBondContact O-N 3.41Å; E279-L283 WeakPolarHBondContact O-CD2 3.32Å; E279-H344 VanDerWaalsContact OE2-CA 3.24Å; E279-H344 WeakPolarHBondContact OE2-CA 3.49Å; E279-H344 PolarHBondContact OE2-N 3.15Å; E279-N345 PolarHBondContact OE2-N 3.17Å; E279-N426 PolarHBondContact OE2-ND2 3.35Å
280	R	96.5	Very high	96.2	Very high	43 Å²	43	43 Å²	43	16%	0.162	23%	0.227	C	C	.	.			trans	-73.6	148.8	178.5	-63	169.1	-63.7	179.9	5.1	110.8	Q245 L271 T272 D278 S302 E309	Q245-R280 PolarHBondContact NE2-O 2.78Å; L271-R280 CarbonylContact O-C 3.57Å; L271-R280 WeakPolarHBondContact O-CB 3.25Å; T272-R280 PolarHBondContact OG1-O 2.87Å; D278-R280 VanDerWaalsContact C-N 3.34Å; D278-R280 WeakPolarHBondContact OD1-CB 3.34Å; D278-R280 IonicContact OD1-CZ 3.17Å; D278-R280 PolarHBondContact OD1-N 2.92Å; D278-R280 VanDerWaalsContact OD1-N 3.11Å; D278-R280 IonicContact OD1-NE 3.38Å; D278-R280 PolarHBondContact OD1-NE 3.09Å; D278-R280 IonicContact OD1-NH2 2.88Å; D278-R280 PolarHBondContact OD1-NH2 3.22Å; D278-R280 IonicContact OD2-CZ 2.82Å; D278-R280 IonicContact OD2-NE 2.74Å; D278-R280 IonicContact OD2-NH2 2.76Å; D278-R280 PolarHBondContact OD2-NH2 2.8Å; R280-S302 WeakPolarHBondContact CA-OG 3.12Å; R280-E309 VanDerWaalsContact CD-OE2 3.31Å; R280-E309 WeakPolarHBondContact CD-OE2 3.3Å; R280-E309 IonicContact CZ-OE1 2.67Å; R280-E309 IonicContact NH1-OE1 2.71Å; R280-E309 PolarHBondContact NH1-OE1 3.42Å; R280-E309 IonicContact NH1-OE2 3.11Å
281	G	97.1	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	149.8	-151.8	174.1	0	0	0	0	0	112.8	V270 L271 Y301 S302	V270-G281 VanDerWaalsContact CG1-C 3.46Å; L271-G281 VanDerWaalsContact O-CA 3.3Å; L271-G281 WeakPolarHBondContact O-CA 3.23Å; L271-G281 PolarHBondContact O-N 3.26Å; L271-G281 VanDerWaalsContact O-N 3.09Å; G281-Y301 CarbonylContact O-C 3.51Å; G281-Y301 WeakPolarHBondContact O-CA 3.38Å; G281-Y301 WeakPolarHBondContact O-CB 3.12Å; G281-S302 PolarHBondContact N-OG 2.68Å; G281-S302 PolarHBondContact O-N 2.81Å
282	F	98.3	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	109.4	168.2	-171.3	-73.8	0	0	0	109.8	L228 A243 Q245 V249 L264 I266 V270 G284 I285 V299	L228-F282 WeakPolarHBondContact CD1-O 3.36Å; A243-F282 HydrophobicContact CB-CD1 3.58Å; A243-F282 HydrophobicContact CB-CE1 3.36Å; A243-F282 HydrophobicContact CB-CZ 4.27Å; Q245-F282 PolarHBondContact O-N 2.9Å; V249-F282 HydrophobicContact CG2-CE1 4.31Å; V249-F282 HydrophobicContact CG2-CE2 4.21Å; V249-F282 HydrophobicContact CG2-CZ 3.85Å; L264-F282 HydrophobicContact CD2-CE2 4.02Å; L264-F282 HydrophobicContact CD2-CZ 4.46Å; I266-F282 HydrophobicContact CD1-CD2 3.78Å; I266-F282 HydrophobicContact CD1-CE2 3.81Å; I266-F282 HydrophobicContact CG1-CD2 4.11Å; I266-F282 HydrophobicContact CG1-CE2 4.29Å; V270-F282 HydrophobicContact CG2-CB 4.42Å; F282-G284 WeakPolarHBondContact CE1-O 3.31Å; F282-I285 HydrophobicContact CE1-CB 3.98Å; F282-I285 HydrophobicContact CE1-CG2 4.22Å; F282-I285 HydrophobicContact CZ-CB 3.98Å; F282-V299 HydrophobicContact CE2-CB 3.87Å; F282-V299 HydrophobicContact CE2-CG1 3.89Å; F282-V299 HydrophobicContact CZ-CB 3.82Å; F282-V299 HydrophobicContact CZ-CG1 3.61Å
283	L	97.4	Very high	96.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-27.5	-165.5	-50.2	178.9	0	0	0	113.5	L228 E279 Y300 N345 G347 W428 R429	L228-L283 HydrophobicContact CD1-CD2 3.83Å; E279-L283 WeakPolarHBondContact O-CD2 3.32Å; L283-Y300 HydrophobicContact CB-CD1 3.9Å; L283-Y300 HydrophobicContact CB-CE1 4.42Å; L283-Y300 HydrophobicContact CD1-CD1 4.02Å; L283-Y300 HydrophobicContact CD1-CE1 3.82Å; L283-Y300 HydrophobicContact CG-CD1 4.34Å; L283-Y300 PolarHBondContact N-O 3.4Å; L283-N345 HydrophobicContact CD1-CB 3.67Å; L283-G347 CarbonylContact C-O 3.54Å; L283-W428 HydrophobicContact CD2-CH2 4.25Å; L283-W428 HydrophobicContact CD2-CZ3 4.49Å; L283-R429 PolarHBondContact O-NH2 2.85Å
284	G	97.6	Very high	96.1	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.3	-175.4	0	0	0	0	0	114.4	F282 V299 Y300 G347	F282-G284 WeakPolarHBondContact CE1-O 3.31Å; G284-V299 CarbonylContact O-C 3.42Å; G284-V299 VanDerWaalsContact O-CA 3.3Å; G284-V299 WeakPolarHBondContact O-CA 3.38Å; G284-Y300 PolarHBondContact N-O 3.11Å; G284-Y300 VanDerWaalsContact N-O 3.13Å; G284-Y300 PolarHBondContact O-N 2.77Å; G284-G347 VanDerWaalsContact CA-O 3.23Å; G284-G347 WeakPolarHBondContact CA-O 3.4Å; G284-G347 PolarHBondContact N-O 3.35Å
285	I	98.6	Very high	96.3	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	143.3	171.1	179.7	165.9	0	0	0	108.6	A229 V231 A243 V249 F282 L297 Y298 V299	A229-I285 HydrophobicContact CB-CG2 3.92Å; V231-I285 HydrophobicContact CG1-CG2 4.19Å; V231-I285 WeakPolarHBondContact CG1-O 3.36Å; V231-I285 HydrophobicContact CG2-CG1 4.34Å; V231-I285 HydrophobicContact CG2-CG2 3.69Å; A243-I285 HydrophobicContact CB-CG2 4.2Å; V249-I285 HydrophobicContact CG1-CD1 4.19Å; V249-I285 HydrophobicContact CG2-CD1 4.24Å; F282-I285 HydrophobicContact CE1-CB 3.98Å; F282-I285 HydrophobicContact CE1-CG2 4.22Å; F282-I285 HydrophobicContact CZ-CB 3.98Å; I285-L297 HydrophobicContact CD1-CD1 3.95Å; I285-L297 HydrophobicContact CG1-CD1 4.5Å; I285-Y298 CarbonylContact C-O 3.58Å; I285-Y298 VanDerWaalsContact CA-O 3.3Å; I285-Y298 WeakPolarHBondContact CA-O 3.4Å; I285-V299 HydrophobicContact CB-CG1 4.28Å; I285-V299 HydrophobicContact CD1-CG1 4.22Å; I285-V299 HydrophobicContact CG1-CG1 4.06Å
286	T	98.6	Very high	96.4	Very high	19 Å²	19	43 Å²	43	12%	0.117	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.5	168.8	-167.3	0	0	0	0	110.6	L297 Y298 L349 F351 L357	T286-L297 WeakPolarHBondContact O-CA 3.19Å; T286-Y298 PolarHBondContact N-O 3.06Å; T286-Y298 PolarHBondContact O-N 2.9Å; T286-L349 HydrophobicContact CG2-CB 3.71Å; T286-F351 HydrophobicContact CG2-CD2 3.93Å; T286-F351 HydrophobicContact CG2-CE2 3.81Å; T286-L357 HydrophobicContact CG2-CD1 3.83Å
287	F	98.6	Very high	96.7	Very high	13 Å²	13	36.7 Å²	36.7	6%	0.057	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.1	175.6	-71.4	-81.2	0	0	0	110.1	V231 H232 A233 F241 F263 Y291 L297 F351	V231-F287 HydrophobicContact CG2-CD2 4.02Å; V231-F287 HydrophobicContact CG2-CE2 3.72Å; H232-F287 WeakPolarHBondContact O-CD2 3.3Å; A233-F287 HydrophobicContact CB-CD1 4.34Å; A233-F287 HydrophobicContact CB-CD2 4.17Å; A233-F287 HydrophobicContact CB-CE1 4.43Å; A233-F287 HydrophobicContact CB-CE2 4.26Å; A233-F287 HydrophobicContact CB-CG 4.19Å; A233-F287 HydrophobicContact CB-CZ 4.38Å; F241-F287 HydrophobicContact CB-CE2 4.34Å; F241-F287 HydrophobicContact CD1-CZ 4.14Å; F241-F287 AromaticContact CD2-CE2 3.41Å; F241-F287 HydrophobicContact CD2-CE2 3.41Å; F241-F287 VanDerWaalsContact CD2-CE2 3.41Å; F241-F287 AromaticContact CD2-CZ 3.59Å; F241-F287 HydrophobicContact CD2-CZ 3.59Å; F241-F287 HydrophobicContact CE1-CZ 4.2Å; F241-F287 AromaticContact CE2-CE2 3.79Å; F241-F287 HydrophobicContact CE2-CE2 3.79Å; F241-F287 AromaticContact CE2-CZ 3.68Å; F241-F287 HydrophobicContact CE2-CZ 3.68Å; F241-F287 AromaticContact CG-CE2 3.89Å; F241-F287 HydrophobicContact CG-CE2 3.89Å; F241-F287 AromaticContact CG-CZ 3.83Å; F241-F287 HydrophobicContact CG-CZ 3.83Å; F241-F287 AromaticContact CZ-CZ 3.97Å; F241-F287 HydrophobicContact CZ-CZ 3.97Å; F263-F287 AromaticContact CE1-CE1 3.95Å; F263-F287 HydrophobicContact CE1-CE1 3.95Å; F263-F287 AromaticContact CE1-CZ 3.82Å; F263-F287 HydrophobicContact CE1-CZ 3.82Å; F263-F287 AromaticContact CZ-CE1 3.91Å; F263-F287 HydrophobicContact CZ-CE1 3.91Å; F263-F287 HydrophobicContact CZ-CZ 4.07Å; F287-Y291 HydrophobicContact CB-CG 4.3Å; F287-Y291 HydrophobicContact CD1-CD1 4.2Å; F287-Y291 AromaticContact CD1-CD2 3.41Å; F287-Y291 HydrophobicContact CD1-CD2 3.41Å; F287-Y291 VanDerWaalsContact CD1-CD2 3.41Å; F287-Y291 HydrophobicContact CD1-CE1 4.27Å; F287-Y291 AromaticContact CD1-CE2 3.47Å; F287-Y291 HydrophobicContact CD1-CE2 3.47Å; F287-Y291 VanDerWaalsContact CD1-CE2 3.47Å; F287-Y291 AromaticContact CD1-CG 3.77Å; F287-Y291 HydrophobicContact CD1-CG 3.77Å; F287-Y291 AromaticContact CD1-CZ 3.91Å; F287-Y291 HydrophobicContact CE1-CD2 4.05Å; F287-Y291 HydrophobicContact CE1-CE1 4.32Å; F287-Y291 AromaticContact CE1-CE2 3.6Å; F287-Y291 HydrophobicContact CE1-CE2 3.6Å; F287-Y291 AromaticContact CE1-CZ 3.74Å; F287-Y291 HydrophobicContact CG-CD2 4.38Å; F287-Y291 HydrophobicContact CG-CG 4.39Å; F287-L297 HydrophobicContact CD1-CB 3.76Å; F287-L297 HydrophobicContact CE1-CB 3.94Å; F287-F351 WeakPolarHBondContact O-CD2 3.42Å; F287-F351 WeakPolarHBondContact O-CE2 3.39Å
288	H	98.5	Very high	97.2	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.019	16%	0.159	C	C	.	.			trans	-59.3	143	172.9	-164.7	-63.6	0	0	0	110.1	K290 Y291 N294 K296 Y298 F351 D393	H288-K290 PolarHBondContact ND1-N 2.83Å; H288-K290 VanDerWaalsContact ND1-N 3.13Å; H288-K290 PolarHBondContact O-N 2.81Å; H288-Y291 WeakPolarHBondContact O-CA 3.44Å; H288-Y291 WeakPolarHBondContact O-CB 3.19Å; H288-Y291 PolarHBondContact O-N 2.98Å; H288-N294 PolarHBondContact CD2-ND2 2.82Å; H288-N294 VanDerWaalsContact CD2-ND2 3.34Å; H288-N294 PolarHBondContact CE1-ND2 2.62Å; H288-N294 PolarHBondContact ND1-ND2 2.96Å; H288-N294 PolarHBondContact NE2-ND2 2.98Å; H288-K296 HydrophobicContact CB-CB 3.94Å; H288-K296 WeakPolarHBondContact CB-O 3.4Å; H288-K296 PolarHBondContact N-O 3.36Å; H288-Y298 HydrophobicContact CB-CE2 4.16Å; H288-Y298 AromaticContact CD2-CE2 3.96Å; H288-F351 HydrophobicContact CB-CZ 4.45Å; H288-D393 IonicContact CE1-OD1 3.87Å; H288-D393 PolarHBondContact CE1-OD1 3.38Å; H288-D393 VanDerWaalsContact CE1-OD1 3.25Å; H288-D393 IonicContact NE2-OD1 2.84Å; H288-D393 PolarHBondContact NE2-OD1 3.49Å; H288-D393 VanDerWaalsContact NE2-OD1 3.07Å
289	P	97.6	Very high	97.4	Very high	70 Å²	70	33.3 Å²	33.3	46%	0.455	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-12	176.8	-29.1	35.4	0	0	0	115	F351	P289-F351 HydrophobicContact CG-CB 3.59Å; P289-F351 HydrophobicContact CG-CD1 3.64Å; P289-F351 HydrophobicContact CG-CD2 4.2Å; P289-F351 HydrophobicContact CG-CE1 4.34Å; P289-F351 HydrophobicContact CG-CG 3.55Å
290	K	96.9	Very high	97.6	Very high	101 Å²	101	30.6 Å²	30.6	44%	0.439	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	22	178.5	-59.4	172.1	-171.4	154.1	0	110.6	H288 K292 Y293 N294 D393	H288-K290 PolarHBondContact ND1-N 2.83Å; H288-K290 VanDerWaalsContact ND1-N 3.13Å; H288-K290 PolarHBondContact O-N 2.81Å; K290-K292 PolarHBondContact O-N 2.94Å; K290-Y293 HydrophobicContact CB-CD2 4.36Å; K290-Y293 WeakPolarHBondContact O-CA 3.33Å; K290-Y293 PolarHBondContact O-N 3.43Å; K290-N294 PolarHBondContact O-N 2.84Å; K290-N294 PolarHBondContact O-OD1 3.17Å; K290-D393 IonicContact NZ-OD1 3.61Å; K290-D393 IonicContact NZ-OD2 3.5Å; K290-D393 PolarHBondContact NZ-OD2 2.83Å
291	Y	97.8	Very high	97.7	Very high	12 Å²	12	28.6 Å²	28.6	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-51.8	-40.6	-176	171.4	-100.3	0	0	0	112.4	A233 D235 F287 H288 Y293 N294 G295 K296 V318	A233-Y291 HydrophobicContact CB-CD1 3.65Å; A233-Y291 HydrophobicContact CB-CE1 3.64Å; D235-Y291 HydrophobicContact CB-CD1 4.29Å; F287-Y291 HydrophobicContact CB-CG 4.3Å; F287-Y291 HydrophobicContact CD1-CD1 4.2Å; F287-Y291 AromaticContact CD1-CD2 3.41Å; F287-Y291 HydrophobicContact CD1-CD2 3.41Å; F287-Y291 VanDerWaalsContact CD1-CD2 3.41Å; F287-Y291 HydrophobicContact CD1-CE1 4.27Å; F287-Y291 AromaticContact CD1-CE2 3.47Å; F287-Y291 HydrophobicContact CD1-CE2 3.47Å; F287-Y291 VanDerWaalsContact CD1-CE2 3.47Å; F287-Y291 AromaticContact CD1-CG 3.77Å; F287-Y291 HydrophobicContact CD1-CG 3.77Å; F287-Y291 AromaticContact CD1-CZ 3.91Å; F287-Y291 HydrophobicContact CE1-CD2 4.05Å; F287-Y291 HydrophobicContact CE1-CE1 4.32Å; F287-Y291 AromaticContact CE1-CE2 3.6Å; F287-Y291 HydrophobicContact CE1-CE2 3.6Å; F287-Y291 AromaticContact CE1-CZ 3.74Å; F287-Y291 HydrophobicContact CG-CD2 4.38Å; F287-Y291 HydrophobicContact CG-CG 4.39Å; H288-Y291 WeakPolarHBondContact O-CA 3.44Å; H288-Y291 WeakPolarHBondContact O-CB 3.19Å; H288-Y291 PolarHBondContact O-N 2.98Å; Y291-Y293 PolarHBondContact O-N 3.12Å; Y291-N294 VanDerWaalsContact CA-OD1 3.31Å; Y291-N294 WeakPolarHBondContact CA-OD1 3.24Å; Y291-N294 PolarHBondContact O-N 2.97Å; Y291-G295 VanDerWaalsContact CD2-C 3.44Å; Y291-G295 VanDerWaalsContact O-CA 3.28Å; Y291-G295 WeakPolarHBondContact O-CA 3.39Å; Y291-G295 PolarHBondContact O-N 2.79Å; Y291-K296 WeakPolarHBondContact CD2-O 3.17Å; Y291-V318 HydrophobicContact CE2-CB 4.21Å; Y291-V318 HydrophobicContact CE2-CG1 4.36Å; Y291-V318 WeakPolarHBondContact OH-CG2 3.38Å
292	K	95.5	Very high	97.8	Very high	118 Å²	118	28.8 Å²	28.8	51%	0.513	14%	0.135	S	C	.	.	H	α-helix	trans	-50.3	-29	173.8	-174.8	170.8	-174.8	161.1	0	114.1	D235 K290	D235-K292 HydrophobicContact CB-CB 4.27Å; K290-K292 PolarHBondContact O-N 2.94Å
293	Y	95	Very high	97.7	Very high	199 Å²	199	29 Å²	29	78%	0.78	14%	0.136	S	C	*	.	H	α-helix	trans	-107.4	-39.3	-177.2	-52.5	-71	0	0	0	113.2	K290 Y291	K290-Y293 HydrophobicContact CB-CD2 4.36Å; K290-Y293 WeakPolarHBondContact O-CA 3.33Å; K290-Y293 PolarHBondContact O-N 3.43Å; Y291-Y293 PolarHBondContact O-N 3.12Å
294	N	95.9	Very high	97.6	Very high	44 Å²	44	34.7 Å²	34.7	24%	0.235	16%	0.163	C	C	.	.	H	α-helix	trans	-102.1	-14.4	-173.6	70.2	14	0	0	0	114.1	H288 K290 Y291 K296	H288-N294 PolarHBondContact CD2-ND2 2.82Å; H288-N294 VanDerWaalsContact CD2-ND2 3.34Å; H288-N294 PolarHBondContact CE1-ND2 2.62Å; H288-N294 PolarHBondContact ND1-ND2 2.96Å; H288-N294 PolarHBondContact NE2-ND2 2.98Å; K290-N294 PolarHBondContact O-N 2.84Å; K290-N294 PolarHBondContact O-OD1 3.17Å; Y291-N294 VanDerWaalsContact CA-OD1 3.31Å; Y291-N294 WeakPolarHBondContact CA-OD1 3.24Å; Y291-N294 PolarHBondContact O-N 2.97Å; N294-K296 HydrophobicContact CB-CD 4.48Å; N294-K296 HydrophobicContact CB-CG 4.25Å; N294-K296 PolarHBondContact O-N 3.26Å; N294-K296 PolarHBondContact OD1-N 2.91Å
295	G	97.3	Very high	97.2	Very high	9 Å²	9	37 Å²	37	9%	0.093	18%	0.177	C	C	.	.			trans	64.9	14.2	180	0	0	0	0	0	115.1	Y291 K317 V318	Y291-G295 VanDerWaalsContact CD2-C 3.44Å; Y291-G295 VanDerWaalsContact O-CA 3.28Å; Y291-G295 WeakPolarHBondContact O-CA 3.39Å; Y291-G295 PolarHBondContact O-N 2.79Å; G295-K317 CarbonylContact O-C 3.53Å; G295-K317 VanDerWaalsContact O-CA 3.32Å; G295-K317 WeakPolarHBondContact O-CA 3.19Å; G295-V318 PolarHBondContact O-N 3.44Å
296	K	98.3	Very high	96.7	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.022	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.1	-172.3	-67.5	-176.6	178.4	-178.2	0	112.8	H288 Y291 N294 Y298 E315 F316 K317 N395 D396	H288-K296 HydrophobicContact CB-CB 3.94Å; H288-K296 WeakPolarHBondContact CB-O 3.4Å; H288-K296 PolarHBondContact N-O 3.36Å; Y291-K296 WeakPolarHBondContact CD2-O 3.17Å; N294-K296 HydrophobicContact CB-CD 4.48Å; N294-K296 HydrophobicContact CB-CG 4.25Å; N294-K296 PolarHBondContact O-N 3.26Å; N294-K296 PolarHBondContact OD1-N 2.91Å; K296-Y298 HydrophobicContact CB-CE2 4.33Å; K296-E315 IonicContact NZ-OE2 3.04Å; K296-F316 WeakPolarHBondContact CA-O 3.15Å; K296-K317 HydrophobicContact CG-CG 4.23Å; K296-N395 PolarHBondContact NZ-OD1 2.82Å; K296-D396 IonicContact NZ-OD1 2.73Å; K296-D396 PolarHBondContact NZ-OD1 3.04Å; K296-D396 IonicContact NZ-OD2 3.9Å; K296-D396 PolarHBondContact NZ-OD2 2.8Å
297	L	98.7	Very high	95.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	158.7	169.7	65.7	144.5	0	0	0	110.4	F263 I285 T286 F287 V299 E315 F316 V326	F263-L297 HydrophobicContact CE1-CD1 3.87Å; F263-L297 HydrophobicContact CE1-CD2 4.46Å; F263-L297 HydrophobicContact CZ-CD2 4.45Å; I285-L297 HydrophobicContact CD1-CD1 3.95Å; I285-L297 HydrophobicContact CG1-CD1 4.5Å; T286-L297 WeakPolarHBondContact O-CA 3.19Å; F287-L297 HydrophobicContact CD1-CB 3.76Å; F287-L297 HydrophobicContact CE1-CB 3.94Å; L297-V299 HydrophobicContact CD1-CG1 4.26Å; L297-E315 CarbonylContact O-C 3.59Å; L297-E315 WeakPolarHBondContact O-CA 3.28Å; L297-F316 HydrophobicContact CD1-CB 4.41Å; L297-F316 HydrophobicContact CD2-CB 3.86Å; L297-F316 WeakPolarHBondContact CD2-O 3.09Å; L297-F316 HydrophobicContact CG-CB 3.92Å; L297-F316 PolarHBondContact N-O 3.16Å; L297-F316 PolarHBondContact O-N 3.27Å; L297-V326 HydrophobicContact CD1-CG2 4.11Å; L297-V326 HydrophobicContact CD2-CG2 3.93Å
298	Y	98.8	Very high	95.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139	-179	-57.9	-92.2	0	0	0	109.5	I285 T286 H288 K296 S314 E315 I334 F351 L357 V392	I285-Y298 CarbonylContact C-O 3.58Å; I285-Y298 VanDerWaalsContact CA-O 3.3Å; I285-Y298 WeakPolarHBondContact CA-O 3.4Å; T286-Y298 PolarHBondContact N-O 3.06Å; T286-Y298 PolarHBondContact O-N 2.9Å; H288-Y298 HydrophobicContact CB-CE2 4.16Å; H288-Y298 AromaticContact CD2-CE2 3.96Å; K296-Y298 HydrophobicContact CB-CE2 4.33Å; Y298-S314 CarbonylContact C-O 3.57Å; Y298-S314 VanDerWaalsContact CA-O 3.28Å; Y298-S314 WeakPolarHBondContact CA-O 3.16Å; Y298-E315 HydrophobicContact CD1-CB 3.88Å; Y298-E315 HydrophobicContact CD1-CG 4.32Å; Y298-E315 HydrophobicContact CE1-CB 3.6Å; Y298-E315 HydrophobicContact CE1-CG 3.7Å; Y298-E315 WeakPolarHBondContact CE1-OE2 3.22Å; Y298-E315 PolarHBondContact OH-OE2 3.27Å; Y298-I334 HydrophobicContact CD1-CG1 4.39Å; Y298-I334 HydrophobicContact CE1-CG1 4.37Å; Y298-F351 AromaticContact CD2-CE2 3.79Å; Y298-F351 HydrophobicContact CD2-CE2 3.79Å; Y298-F351 AromaticContact CD2-CZ 3.82Å; Y298-F351 HydrophobicContact CD2-CZ 3.82Å; Y298-F351 AromaticContact CE2-CE2 3.98Å; Y298-F351 HydrophobicContact CE2-CE2 3.98Å; Y298-F351 AromaticContact CE2-CZ 3.59Å; Y298-F351 HydrophobicContact CE2-CZ 3.59Å; Y298-L357 HydrophobicContact CD1-CD2 4.01Å; Y298-L357 HydrophobicContact CG-CD2 4.13Å; Y298-V392 HydrophobicContact CE1-CB 4.07Å; Y298-V392 HydrophobicContact CE1-CG1 4.02Å; Y298-V392 HydrophobicContact CE1-CG2 4.18Å; Y298-V392 HydrophobicContact CE2-CG2 4.17Å; Y298-V392 WeakPolarHBondContact OH-CG2 3.28Å
299	V	98.8	Very high	95.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.4	-179.2	-59.8	0	0	0	0	111	L264 I266 F282 G284 I285 L297 Y301 I313 S314 F316	L264-V299 HydrophobicContact CD2-CG1 3.82Å; I266-V299 HydrophobicContact CD1-CG2 4.49Å; F282-V299 HydrophobicContact CE2-CB 3.87Å; F282-V299 HydrophobicContact CE2-CG1 3.89Å; F282-V299 HydrophobicContact CZ-CB 3.82Å; F282-V299 HydrophobicContact CZ-CG1 3.61Å; G284-V299 CarbonylContact O-C 3.42Å; G284-V299 VanDerWaalsContact O-CA 3.3Å; G284-V299 WeakPolarHBondContact O-CA 3.38Å; I285-V299 HydrophobicContact CB-CG1 4.28Å; I285-V299 HydrophobicContact CD1-CG1 4.22Å; I285-V299 HydrophobicContact CG1-CG1 4.06Å; L297-V299 HydrophobicContact CD1-CG1 4.26Å; V299-Y301 HydrophobicContact CB-CD1 4.41Å; V299-Y301 HydrophobicContact CG2-CD1 3.82Å; V299-Y301 HydrophobicContact CG2-CE1 3.65Å; V299-I313 VanDerWaalsContact O-CA 3.28Å; V299-I313 WeakPolarHBondContact O-CA 3.26Å; V299-S314 PolarHBondContact N-O 3.09Å; V299-S314 PolarHBondContact O-N 2.85Å; V299-F316 HydrophobicContact CG2-CD2 3.88Å; V299-F316 HydrophobicContact CG2-CE2 3.57Å
300	Y	98.6	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.1	179.4	-172.2	-65.4	0	0	0	108.8	L283 G284 I311 R312 I313 N345 G347 L349 I359 T361	L283-Y300 HydrophobicContact CB-CD1 3.9Å; L283-Y300 HydrophobicContact CB-CE1 4.42Å; L283-Y300 HydrophobicContact CD1-CD1 4.02Å; L283-Y300 HydrophobicContact CD1-CE1 3.82Å; L283-Y300 HydrophobicContact CG-CD1 4.34Å; L283-Y300 PolarHBondContact N-O 3.4Å; G284-Y300 PolarHBondContact N-O 3.11Å; G284-Y300 VanDerWaalsContact N-O 3.13Å; G284-Y300 PolarHBondContact O-N 2.77Å; Y300-I311 HydrophobicContact CD1-CG2 3.81Å; Y300-I311 HydrophobicContact CD2-CG2 4.06Å; Y300-I311 HydrophobicContact CE1-CB 4.22Å; Y300-I311 HydrophobicContact CE1-CD1 3.8Å; Y300-I311 HydrophobicContact CE1-CG1 3.94Å; Y300-I311 HydrophobicContact CE1-CG2 3.28Å; Y300-I311 HydrophobicContact CE2-CG2 3.56Å; Y300-I311 HydrophobicContact CG-CG2 4.18Å; Y300-I311 WeakPolarHBondContact OH-CG2 3.4Å; Y300-R312 WeakPolarHBondContact CA-O 3.48Å; Y300-I313 HydrophobicContact CD2-CD1 4.15Å; Y300-I313 HydrophobicContact CD2-CG1 3.77Å; Y300-I313 HydrophobicContact CE2-CD1 4.22Å; Y300-I313 HydrophobicContact CE2-CG1 4.33Å; Y300-I313 HydrophobicContact CG-CG1 4.41Å; Y300-N345 WeakPolarHBondContact CE1-O 3.4Å; Y300-N345 PolarHBondContact OH-O 2.71Å; Y300-G347 VanDerWaalsContact CD1-CA 3.49Å; Y300-L349 HydrophobicContact CD2-CD2 4.09Å; Y300-L349 HydrophobicContact CD2-CG 4.29Å; Y300-I359 HydrophobicContact CD2-CG2 3.97Å; Y300-I359 HydrophobicContact CE2-CG2 3.73Å; Y300-T361 HydrophobicContact CE2-CG2 4.44Å
301	Y	98.4	Very high	95.3	Very high	1 Å²	1	49 Å²	49	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	153.1	-176.5	58.9	-72.3	0	0	0	112.6	I266 A269 V270 G281 V299 V303 R312 S314 E331	I266-Y301 HydrophobicContact CD1-CD1 4.05Å; I266-Y301 HydrophobicContact CD1-CD2 4.11Å; I266-Y301 HydrophobicContact CD1-CE1 4.12Å; I266-Y301 HydrophobicContact CD1-CE2 4.1Å; I266-Y301 HydrophobicContact CD1-CG 4.07Å; A269-Y301 HydrophobicContact CB-CE2 4.29Å; V270-Y301 HydrophobicContact CG2-CD2 3.87Å; V270-Y301 HydrophobicContact CG2-CG 4.28Å; G281-Y301 CarbonylContact O-C 3.51Å; G281-Y301 WeakPolarHBondContact O-CA 3.38Å; G281-Y301 WeakPolarHBondContact O-CB 3.12Å; V299-Y301 HydrophobicContact CB-CD1 4.41Å; V299-Y301 HydrophobicContact CG2-CD1 3.82Å; V299-Y301 HydrophobicContact CG2-CE1 3.65Å; Y301-V303 HydrophobicContact CD2-CG1 3.44Å; Y301-V303 VanDerWaalsContact CD2-CG1 3.44Å; Y301-V303 HydrophobicContact CE2-CG1 3.27Å; Y301-R312 WeakPolarHBondContact CD1-O 3.34Å; Y301-R312 HydrophobicContact CE1-CB 4.2Å; Y301-R312 HydrophobicContact CE1-CG 4.09Å; Y301-R312 HydrophobicContact CE2-CB 4.36Å; Y301-R312 PolarHBondContact N-O 3.22Å; Y301-R312 PolarHBondContact O-N 3.49Å; Y301-R312 WeakPolarHBondContact OH-CD 3.29Å; Y301-S314 PolarHBondContact OH-OG 3.3Å; Y301-S314 VanDerWaalsContact OH-OG 3.08Å; Y301-E331 PolarHBondContact OH-OE1 3.45Å
302	S	98	Very high	95.3	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.028	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.2	174.5	-49.3	0	0	0	0	110.4	L271 R280 G281 R310	L271-S302 PolarHBondContact N-O 2.05Å; R280-S302 WeakPolarHBondContact CA-OG 3.12Å; G281-S302 PolarHBondContact N-OG 2.68Å; G281-S302 PolarHBondContact O-N 2.81Å; S302-R310 CarbonylContact C-O 3.55Å; S302-R310 WeakPolarHBondContact CA-O 3.44Å
303	V	97.4	Very high	95.5	Very high	3 Å²	3	45 Å²	45	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.9	176.3	-60.9	0	0	0	0	110.5	Y301 V305 R310 R312	Y301-V303 HydrophobicContact CD2-CG1 3.44Å; Y301-V303 VanDerWaalsContact CD2-CG1 3.44Å; Y301-V303 HydrophobicContact CE2-CG1 3.27Å; V303-V305 HydrophobicContact CG2-CG2 4.03Å; V303-R310 HydrophobicContact CG2-CB 3.94Å; V303-R310 PolarHBondContact N-O 2.91Å; V303-R310 PolarHBondContact O-N 3.35Å; V303-R312 HydrophobicContact CG1-CB 4.07Å; V303-R312 HydrophobicContact CG2-CB 4.02Å
304	E	94.4	Very high	95.7	Very high	121 Å²	121	35.6 Å²	35.6	57%	0.565	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105	123.9	168.7	-172	176.6	-151.1	0	0	109.1	L271	L271-E304 HydrophobicContact CD1-CB 4.43Å; L271-E304 HydrophobicContact CD2-CB 4.29Å
305	V	89.2	Confident	95.8	Very high	50 Å²	50	33.5 Å²	33.5	30%	0.303	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	97.3	176	-177.4	0	0	0	0	108.6	V303 F307 D308	V303-V305 HydrophobicContact CG2-CG2 4.03Å; V305-F307 PolarHBondContact O-N 3.3Å; V305-D308 PolarHBondContact N-O 2.83Å; V305-D308 PolarHBondContact O-N 3.49Å
306	G	87.9	Confident	95.9	Very high	62 Å²	62	33.1 Å²	33.1	64%	0.639	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	-107.2	-173.4	0	0	0	0	0	110.6
307	F	83.4	Confident	95.9	Very high	202 Å²	202	36.2 Å²	36.2	89%	0.886	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.6	0.4	173.8	-62.7	-76.7	0	0	0	112.5	V305	V305-F307 PolarHBondContact O-N 3.3Å
308	D	90.6	Very high	95.8	Very high	92 Å²	92	37.6 Å²	37.6	49%	0.492	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.7	-176.5	-58.3	-44.4	0	0	0	109.6	V305	V305-D308 PolarHBondContact N-O 2.83Å; V305-D308 PolarHBondContact O-N 3.49Å
309	E	94.5	Very high	95.8	Very high	50 Å²	50	38.9 Å²	38.9	23%	0.234	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.7	169.6	-61.1	-170.2	177	0	0	109.3	L271 R280 E339	L271-E309 HydrophobicContact CD2-CB 4.42Å; L271-E309 HydrophobicContact CD2-CG 3.84Å; R280-E309 VanDerWaalsContact CD-OE2 3.31Å; R280-E309 WeakPolarHBondContact CD-OE2 3.3Å; R280-E309 IonicContact CZ-OE1 2.67Å; R280-E309 IonicContact NH1-OE1 2.71Å; R280-E309 PolarHBondContact NH1-OE1 3.42Å; R280-E309 IonicContact NH1-OE2 3.11Å; E309-E339 HydrophobicContact CB-CB 4.4Å; E309-E339 PolarHBondContact O-N 3.37Å
310	R	96.4	Very high	95.6	Very high	57 Å²	57	45.5 Å²	45.5	22%	0.215	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.1	179.8	-60.1	-173.1	171	173.7	4.8	111.5	S302 V303 E336 I337 D338	S302-R310 CarbonylContact C-O 3.55Å; S302-R310 WeakPolarHBondContact CA-O 3.44Å; V303-R310 HydrophobicContact CG2-CB 3.94Å; V303-R310 PolarHBondContact N-O 2.91Å; V303-R310 PolarHBondContact O-N 3.35Å; R310-E336 IonicContact CZ-OE2 3.83Å; R310-E336 IonicContact NH1-OE2 3.63Å; R310-E336 PolarHBondContact NH1-OE2 2.89Å; R310-I337 CarbonylContact C-O 3.58Å; R310-I337 VanDerWaalsContact CA-O 3.28Å; R310-I337 WeakPolarHBondContact CA-O 3.09Å; R310-D338 IonicContact CZ-OD1 3.58Å; R310-D338 IonicContact NE-OD1 2.83Å; R310-D338 PolarHBondContact NE-OD1 2.94Å; R310-D338 IonicContact NH2-OD1 3.67Å; R310-D338 PolarHBondContact NH2-OD1 2.82Å
311	I	97.1	Very high	95.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.2	156.5	-62.9	-43.5	0	0	0	109.1	Y300 I313 E336 I337 E339 N345	Y300-I311 HydrophobicContact CD1-CG2 3.81Å; Y300-I311 HydrophobicContact CD2-CG2 4.06Å; Y300-I311 HydrophobicContact CE1-CB 4.22Å; Y300-I311 HydrophobicContact CE1-CD1 3.8Å; Y300-I311 HydrophobicContact CE1-CG1 3.94Å; Y300-I311 HydrophobicContact CE1-CG2 3.28Å; Y300-I311 HydrophobicContact CE2-CG2 3.56Å; Y300-I311 HydrophobicContact CG-CG2 4.18Å; Y300-I311 WeakPolarHBondContact OH-CG2 3.4Å; I311-I313 HydrophobicContact CG2-CD1 3.75Å; I311-E336 CarbonylContact O-C 3.54Å; I311-E336 VanDerWaalsContact O-CA 3.26Å; I311-E336 WeakPolarHBondContact O-CA 3.3Å; I311-I337 HydrophobicContact CB-CB 4.44Å; I311-I337 PolarHBondContact N-O 2.89Å; I311-I337 PolarHBondContact O-N 2.83Å; I311-E339 HydrophobicContact CD1-CG 3.88Å; I311-E339 HydrophobicContact CG1-CG 3.58Å; I311-E339 VanDerWaalsContact CG1-OE1 3.23Å; I311-E339 WeakPolarHBondContact CG1-OE1 3.36Å; I311-N345 HydrophobicContact CD1-CB 4.07Å
312	R	98.2	Very high	95.3	Very high	46 Å²	46	52 Å²	52	17%	0.174	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.2	172.4	-175.3	173.6	-76.4	165	7.9	110.8	Y300 Y301 V303 V333 E336	Y300-R312 WeakPolarHBondContact CA-O 3.48Å; Y301-R312 WeakPolarHBondContact CD1-O 3.34Å; Y301-R312 HydrophobicContact CE1-CB 4.2Å; Y301-R312 HydrophobicContact CE1-CG 4.09Å; Y301-R312 HydrophobicContact CE2-CB 4.36Å; Y301-R312 PolarHBondContact N-O 3.22Å; Y301-R312 PolarHBondContact O-N 3.49Å; Y301-R312 WeakPolarHBondContact OH-CD 3.29Å; V303-R312 HydrophobicContact CG1-CB 4.07Å; V303-R312 HydrophobicContact CG2-CB 4.02Å; R312-V333 HydrophobicContact CG-CG1 3.88Å; R312-V333 HydrophobicContact CG-CG2 4.38Å; R312-E336 HydrophobicContact CG-CG 4.4Å; R312-E336 IonicContact CZ-OE1 3.44Å; R312-E336 IonicContact NE-OE1 3.38Å; R312-E336 PolarHBondContact NE-OE1 2.84Å; R312-E336 IonicContact NH2-OE1 2.94Å; R312-E336 PolarHBondContact NH2-OE1 2.89Å
313	I	98.7	Very high	95.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.6	168.7	-60.7	89.8	0	0	0	107.8	V299 Y300 I311 I334 L335 L349 I359	V299-I313 VanDerWaalsContact O-CA 3.28Å; V299-I313 WeakPolarHBondContact O-CA 3.26Å; Y300-I313 HydrophobicContact CD2-CD1 4.15Å; Y300-I313 HydrophobicContact CD2-CG1 3.77Å; Y300-I313 HydrophobicContact CE2-CD1 4.22Å; Y300-I313 HydrophobicContact CE2-CG1 4.33Å; Y300-I313 HydrophobicContact CG-CG1 4.41Å; I311-I313 HydrophobicContact CG2-CD1 3.75Å; I313-I334 HydrophobicContact CG2-CB 4.4Å; I313-I334 WeakPolarHBondContact O-CB 3.13Å; I313-I334 PolarHBondContact O-N 2.82Å; I313-L335 HydrophobicContact CB-CB 4.41Å; I313-L335 HydrophobicContact CD1-CB 4.18Å; I313-L335 HydrophobicContact CD1-CD2 4.37Å; I313-L335 HydrophobicContact CD1-CG 4.41Å; I313-L335 PolarHBondContact N-O 2.91Å; I313-L335 PolarHBondContact O-N 3.15Å; I313-L349 HydrophobicContact CG2-CD2 4.45Å; I313-I359 HydrophobicContact CD1-CG2 4.18Å; I313-I359 HydrophobicContact CG1-CD1 4.34Å; I313-I359 HydrophobicContact CG1-CG2 4.17Å; I313-I359 HydrophobicContact CG2-CD1 4.46Å
314	S	98.4	Very high	95.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.9	-178.6	-70.5	0	0	0	0	111.8	Y298 V299 Y301 E331 R332	Y298-S314 CarbonylContact C-O 3.57Å; Y298-S314 VanDerWaalsContact CA-O 3.28Å; Y298-S314 WeakPolarHBondContact CA-O 3.16Å; V299-S314 PolarHBondContact N-O 3.09Å; V299-S314 PolarHBondContact O-N 2.85Å; Y301-S314 PolarHBondContact OH-OG 3.3Å; Y301-S314 VanDerWaalsContact OH-OG 3.08Å; S314-E331 PolarHBondContact OG-OE1 2.89Å; S314-R332 CarbonylContact C-O 3.43Å; S314-R332 WeakPolarHBondContact CA-O 3.49Å
315	E	98.6	Very high	95.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.1	165.5	178.2	-176.8	99.6	0	0	109.3	K296 L297 Y298 E331 R332 I334 N395	K296-E315 IonicContact NZ-OE2 3.04Å; L297-E315 CarbonylContact O-C 3.59Å; L297-E315 WeakPolarHBondContact O-CA 3.28Å; Y298-E315 HydrophobicContact CD1-CB 3.88Å; Y298-E315 HydrophobicContact CD1-CG 4.32Å; Y298-E315 HydrophobicContact CE1-CB 3.6Å; Y298-E315 HydrophobicContact CE1-CG 3.7Å; Y298-E315 WeakPolarHBondContact CE1-OE2 3.22Å; Y298-E315 PolarHBondContact OH-OE2 3.27Å; E315-E331 CarbonylContact O-C 3.6Å; E315-E331 WeakPolarHBondContact O-CA 3.24Å; E315-R332 HydrophobicContact CB-CB 4.33Å; E315-R332 PolarHBondContact N-O 2.84Å; E315-R332 PolarHBondContact O-N 2.89Å; E315-R332 IonicContact OE1-CZ 3.97Å; E315-R332 IonicContact OE1-NH1 2.96Å; E315-R332 PolarHBondContact OE1-NH1 3Å; E315-I334 HydrophobicContact CB-CD1 3.82Å; E315-I334 HydrophobicContact CB-CG1 3.88Å; E315-N395 PolarHBondContact OE2-ND2 2.77Å; E315-N395 PolarHBondContact OE2-OD1 2.9Å
316	F	98.6	Very high	95.8	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	163.4	169	-71.3	-93.9	0	0	0	110.3	L264 I266 K296 L297 V299 V326 E331	L264-F316 HydrophobicContact CD1-CD1 4.47Å; L264-F316 HydrophobicContact CD1-CE1 4.37Å; I266-F316 HydrophobicContact CG2-CZ 4.17Å; K296-F316 WeakPolarHBondContact CA-O 3.15Å; L297-F316 HydrophobicContact CD1-CB 4.41Å; L297-F316 HydrophobicContact CD2-CB 3.86Å; L297-F316 WeakPolarHBondContact CD2-O 3.09Å; L297-F316 HydrophobicContact CG-CB 3.92Å; L297-F316 PolarHBondContact N-O 3.16Å; L297-F316 PolarHBondContact O-N 3.27Å; V299-F316 HydrophobicContact CG2-CD2 3.88Å; V299-F316 HydrophobicContact CG2-CE2 3.57Å; F316-V326 HydrophobicContact CB-CG1 3.63Å; F316-V326 HydrophobicContact CD1-CG1 3.67Å; F316-V326 HydrophobicContact CG-CG1 3.92Å; F316-E331 HydrophobicContact CD1-CB 4Å; F316-E331 HydrophobicContact CD1-CG 4.43Å; F316-E331 HydrophobicContact CE1-CB 3.46Å; F316-E331 VanDerWaalsContact CE1-CB 3.46Å; F316-E331 HydrophobicContact CE1-CG 3.72Å; F316-E331 HydrophobicContact CE2-CG 4.01Å; F316-E331 HydrophobicContact CZ-CB 3.8Å; F316-E331 HydrophobicContact CZ-CG 3.47Å; F316-E331 VanDerWaalsContact CZ-CG 3.47Å
317	K	98.2	Very high	96.3	Very high	69 Å²	69	49.7 Å²	49.7	30%	0.3	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142	170	-68.2	-177.2	177.9	177.3	0	111.3	G295 K296 D327 S330 D396	G295-K317 CarbonylContact O-C 3.53Å; G295-K317 VanDerWaalsContact O-CA 3.32Å; G295-K317 WeakPolarHBondContact O-CA 3.19Å; K296-K317 HydrophobicContact CG-CG 4.23Å; K317-D327 PolarHBondContact O-N 3.04Å; K317-S330 PolarHBondContact N-OG 3.39Å; K317-D396 IonicContact NZ-OD1 2.71Å; K317-D396 PolarHBondContact NZ-OD1 3.04Å
318	V	98.1	Very high	97	Very high	29 Å²	29	44.3 Å²	44.3	18%	0.176	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	145.3	167.9	72.6	0	0	0	0	110.3	F263 Y291 G295 T320 L325	F263-V318 HydrophobicContact CE2-CG2 4.26Å; Y291-V318 HydrophobicContact CE2-CB 4.21Å; Y291-V318 HydrophobicContact CE2-CG1 4.36Å; Y291-V318 WeakPolarHBondContact OH-CG2 3.38Å; G295-V318 PolarHBondContact O-N 3.44Å; V318-T320 PolarHBondContact O-N 2.71Å; V318-L325 WeakPolarHBondContact CG2-O 3.45Å
319	S	97.4	Very high	97.3	Very high	28 Å²	28	46 Å²	46	20%	0.196	24%	0.242	C	C	.	.			trans	-61.5	135.6	176.6	176	0	0	0	0	110.8	N321 D322 L325	S319-N321 PolarHBondContact O-N 3.22Å; S319-N321 PolarHBondContact OG-N 3.02Å; S319-D322 WeakPolarHBondContact CB-O 3.34Å; S319-D322 PolarHBondContact O-N 2.86Å; S319-D322 PolarHBondContact OG-N 2.92Å; S319-L325 VanDerWaalsContact CB-O 3.27Å; S319-L325 WeakPolarHBondContact CB-O 3.44Å; S319-L325 PolarHBondContact N-O 2.93Å
320	T	95.4	Very high	97.4	Very high	139 Å²	139	44.7 Å²	44.7	85%	0.853	24%	0.238	S	C	*	.	S	Bend	trans	-66.6	-20.4	173.5	53.1	0	0	0	0	112.5	V318	V318-T320 PolarHBondContact O-N 2.71Å
321	N	94.8	Very high	97.5	Very high	116 Å²	116	45.4 Å²	45.4	62%	0.62	24%	0.244	S	C	*	.	S	Bend	trans	-93.7	-28.7	-178.2	-68	-45.7	0	0	0	112.8	S319 R625	S319-N321 PolarHBondContact O-N 3.22Å; S319-N321 PolarHBondContact OG-N 3.02Å; N321-R625 PolarHBondContact O-NH1 3.4Å; N321-R625 PolarHBondContact O-NH2 3.37Å
322	D	96.3	Very high	97.5	Very high	21 Å²	21	48 Å²	48	11%	0.112	25%	0.254	C	S	.	.			trans	-145	118.3	-175.3	-167.2	-22.7	0	0	0	111	S319 N324 L325	S319-D322 WeakPolarHBondContact CB-O 3.34Å; S319-D322 PolarHBondContact O-N 2.86Å; S319-D322 PolarHBondContact OG-N 2.92Å; D322-N324 PolarHBondContact O-N 2.92Å; D322-N324 PolarHBondContact OD1-N 2.8Å; D322-L325 HydrophobicContact CB-CB 4.24Å; D322-L325 HydrophobicContact CB-CD1 4.04Å; D322-L325 HydrophobicContact CB-CG 4.26Å; D322-L325 PolarHBondContact O-N 3.27Å
323	M	95.8	Very high	97.4	Very high	63 Å²	63	48.2 Å²	48.2	31%	0.31	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-11.1	-178.3	72.3	-168.4	-48.1	0	0	114	T237 R239 V622 R623	T237-M323 HydrophobicContact CG2-CE 4.27Å; R239-M323 PolarHBondContact NH1-O 2.81Å; M323-V622 HydrophobicContact SD-CG1 4.32Å; M323-R623 HydrophobicContact SD-CB 4.2Å
324	N	97.6	Very high	97.4	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.032	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	15.2	178.1	-54.8	-63.1	0	0	0	112.2	R239 L259 F263 D322 R623	R239-N324 PolarHBondContact NH1-OD1 2.03Å; L259-N324 HydrophobicContact CD1-CB 4.15Å; F263-N324 WeakPolarHBondContact CA-O 3.1Å; F263-N324 WeakPolarHBondContact CD2-O 3.42Å; D322-N324 PolarHBondContact O-N 2.92Å; D322-N324 PolarHBondContact OD1-N 2.8Å; N324-R623 PolarHBondContact ND2-O 3.3Å
325	L	97.7	Very high	97.3	Very high	52 Å²	52	49.2 Å²	49.2	27%	0.272	27%	0.265	S	S	.	.	S	Bend	trans	-135.5	139.9	176.8	-66.5	175.3	0	0	0	111	K261 P262 V318 S319 D322	K261-L325 HydrophobicContact CB-CD2 4.42Å; P262-L325 VanDerWaalsContact O-CD2 3.31Å; P262-L325 WeakPolarHBondContact O-CD2 3.46Å; V318-L325 WeakPolarHBondContact CG2-O 3.45Å; S319-L325 VanDerWaalsContact CB-O 3.27Å; S319-L325 WeakPolarHBondContact CB-O 3.44Å; S319-L325 PolarHBondContact N-O 2.93Å; D322-L325 HydrophobicContact CB-CB 4.24Å; D322-L325 HydrophobicContact CB-CD1 4.04Å; D322-L325 HydrophobicContact CB-CG 4.26Å; D322-L325 PolarHBondContact O-N 3.27Å
326	V	98.4	Very high	97.2	Very high	8 Å²	8	52 Å²	52	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.8	167.6	174.3	0	0	0	0	110.2	F263 L264 L297 F316 H328	F263-V326 HydrophobicContact CD1-CG2 3.79Å; F263-V326 HydrophobicContact CD2-CG2 4.39Å; F263-V326 HydrophobicContact CE1-CG2 3.44Å; F263-V326 VanDerWaalsContact CE1-CG2 3.44Å; F263-V326 HydrophobicContact CE2-CG2 4.06Å; F263-V326 HydrophobicContact CG-CG2 4.25Å; F263-V326 HydrophobicContact CZ-CG2 3.57Å; F263-V326 WeakPolarHBondContact O-CB 3.48Å; F263-V326 WeakPolarHBondContact O-CG2 3.47Å; F263-V326 PolarHBondContact O-N 3.05Å; L264-V326 HydrophobicContact CB-CG2 4.17Å; L264-V326 HydrophobicContact CD1-CB 3.97Å; L264-V326 HydrophobicContact CD1-CG1 3.87Å; L264-V326 HydrophobicContact CD1-CG2 4.25Å; L297-V326 HydrophobicContact CD1-CG2 4.11Å; L297-V326 HydrophobicContact CD2-CG2 3.93Å; F316-V326 HydrophobicContact CB-CG1 3.63Å; F316-V326 HydrophobicContact CD1-CG1 3.67Å; F316-V326 HydrophobicContact CG-CG1 3.92Å; V326-H328 PolarHBondContact O-N 3.47Å; V326-H328 PolarHBondContact O-ND1 3.21Å
327	D	98.2	Very high	97.1	Very high	63 Å²	63	52.5 Å²	52.5	34%	0.337	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	100.2	165.2	177.3	4.8	0	0	0	109.2	K317 T329 S330	K317-D327 PolarHBondContact O-N 3.04Å; D327-T329 PolarHBondContact O-N 3.47Å; D327-T329 VanDerWaalsContact O-N 3.13Å; D327-T329 WeakPolarHBondContact OD1-CB 3.11Å; D327-T329 PolarHBondContact OD1-N 2.85Å; D327-T329 PolarHBondContact OD1-OG1 3.37Å; D327-T329 PolarHBondContact OD2-OG1 3.44Å; D327-S330 VanDerWaalsContact O-CB 3.29Å; D327-S330 WeakPolarHBondContact O-CB 3.44Å; D327-S330 PolarHBondContact O-N 2.86Å; D327-S330 PolarHBondContact O-OG 3.25Å
328	H	97.4	Very high	97	Very high	88 Å²	88	53.8 Å²	53.8	41%	0.407	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	-22.7	179.2	-65.3	77.5	0	0	0	114	N265 V326 S330	N265-H328 PolarHBondContact N-NE2 2.9Å; N265-H328 PolarHBondContact O-CD2 2.77Å; N265-H328 PolarHBondContact O-NE2 2.6Å; V326-H328 PolarHBondContact O-N 3.47Å; V326-H328 PolarHBondContact O-ND1 3.21Å; H328-S330 PolarHBondContact O-N 2.98Å
329	T	97.5	Very high	96.8	Very high	127 Å²	127	53 Å²	53	78%	0.779	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	-11.1	177.2	72.2	0	0	0	0	112.9	D327 E331	D327-T329 PolarHBondContact O-N 3.47Å; D327-T329 VanDerWaalsContact O-N 3.13Å; D327-T329 WeakPolarHBondContact OD1-CB 3.11Å; D327-T329 PolarHBondContact OD1-N 2.85Å; D327-T329 PolarHBondContact OD1-OG1 3.37Å; D327-T329 PolarHBondContact OD2-OG1 3.44Å; T329-E331 VanDerWaalsContact C-N 3.3Å
330	S	97.3	Very high	96.7	Very high	23 Å²	23	54.8 Å²	54.8	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-0.4	178.3	74.3	0	0	0	0	114.3	K317 D327 H328 R332	K317-S330 PolarHBondContact N-OG 3.39Å; D327-S330 VanDerWaalsContact O-CB 3.29Å; D327-S330 WeakPolarHBondContact O-CB 3.44Å; D327-S330 PolarHBondContact O-N 2.86Å; D327-S330 PolarHBondContact O-OG 3.25Å; H328-S330 PolarHBondContact O-N 2.98Å; S330-R332 PolarHBondContact O-N 3.02Å
331	E	97.5	Very high	96.5	Very high	73 Å²	73	49 Å²	49	34%	0.341	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	130.8	-177.7	-171.6	177.1	-174.7	0	0	112	Y301 S314 E315 F316 T329	Y301-E331 PolarHBondContact OH-OE1 3.45Å; S314-E331 PolarHBondContact OG-OE1 2.89Å; E315-E331 CarbonylContact O-C 3.6Å; E315-E331 WeakPolarHBondContact O-CA 3.24Å; F316-E331 HydrophobicContact CD1-CB 4Å; F316-E331 HydrophobicContact CD1-CG 4.43Å; F316-E331 HydrophobicContact CE1-CB 3.46Å; F316-E331 VanDerWaalsContact CE1-CB 3.46Å; F316-E331 HydrophobicContact CE1-CG 3.72Å; F316-E331 HydrophobicContact CE2-CG 4.01Å; F316-E331 HydrophobicContact CZ-CB 3.8Å; F316-E331 HydrophobicContact CZ-CG 3.47Å; F316-E331 VanDerWaalsContact CZ-CG 3.47Å; T329-E331 VanDerWaalsContact C-N 3.3Å
332	R	96.9	Very high	96.3	Very high	55 Å²	55	46 Å²	46	21%	0.208	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	113.7	169.7	-64.4	171.7	62.8	-157	6.3	109.3	S314 E315 S330 I334 N395	S314-R332 CarbonylContact C-O 3.43Å; S314-R332 WeakPolarHBondContact CA-O 3.49Å; E315-R332 HydrophobicContact CB-CB 4.33Å; E315-R332 PolarHBondContact N-O 2.84Å; E315-R332 PolarHBondContact O-N 2.89Å; E315-R332 IonicContact OE1-CZ 3.97Å; E315-R332 IonicContact OE1-NH1 2.96Å; E315-R332 PolarHBondContact OE1-NH1 3Å; S330-R332 PolarHBondContact O-N 3.02Å; R332-I334 PolarHBondContact O-N 3.46Å; R332-N395 VanDerWaalsContact NH1-CG 3.28Å; R332-N395 PolarHBondContact NH1-ND2 3.32Å; R332-N395 PolarHBondContact NH1-O 2.88Å; R332-N395 PolarHBondContact NH1-OD1 2.86Å; R332-N395 PolarHBondContact NH2-O 3.24Å
333	V	97	Very high	96.1	Very high	50 Å²	50	47.2 Å²	47.2	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	113.2	174.9	-178.4	0	0	0	0	108.9	R312 E336 L400	R312-V333 HydrophobicContact CG-CG1 3.88Å; R312-V333 HydrophobicContact CG-CG2 4.38Å; V333-E336 HydrophobicContact CG1-CG 3.64Å; V333-L400 VanDerWaalsContact O-CD1 3.28Å; V333-L400 WeakPolarHBondContact O-CD1 3.49Å
334	I	97.5	Very high	96.1	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-45.6	-177.2	-60.2	-57.2	0	0	0	110.8	Y298 I313 E315 R332 I390 L400 Y401	Y298-I334 HydrophobicContact CD1-CG1 4.39Å; Y298-I334 HydrophobicContact CE1-CG1 4.37Å; I313-I334 HydrophobicContact CG2-CB 4.4Å; I313-I334 WeakPolarHBondContact O-CB 3.13Å; I313-I334 PolarHBondContact O-N 2.82Å; E315-I334 HydrophobicContact CB-CD1 3.82Å; E315-I334 HydrophobicContact CB-CG1 3.88Å; R332-I334 PolarHBondContact O-N 3.46Å; I334-I390 HydrophobicContact CG2-CD1 3.83Å; I334-L400 HydrophobicContact CD1-CB 4.27Å; I334-Y401 HydrophobicContact CG2-CD1 3.75Å; I334-Y401 HydrophobicContact CG2-CG 4.37Å; I334-Y401 VanDerWaalsContact O-CE1 3.31Å; I334-Y401 WeakPolarHBondContact O-CE1 3.16Å
335	L	97.1	Very high	96	Very high	15 Å²	15	44.3 Å²	44.3	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.6	-176.8	-176.8	63.8	0	0	0	109.9	I313 I337 I359 L383 L388	I313-L335 HydrophobicContact CB-CB 4.41Å; I313-L335 HydrophobicContact CD1-CB 4.18Å; I313-L335 HydrophobicContact CD1-CD2 4.37Å; I313-L335 HydrophobicContact CD1-CG 4.41Å; I313-L335 PolarHBondContact N-O 2.91Å; I313-L335 PolarHBondContact O-N 3.15Å; L335-I337 HydrophobicContact CD2-CD1 3.98Å; L335-I337 HydrophobicContact CD2-CG1 4.17Å; L335-I337 HydrophobicContact CG-CD1 4.42Å; L335-I337 HydrophobicContact CG-CG1 4.07Å; L335-I359 HydrophobicContact CD2-CD1 4.24Å; L335-L383 HydrophobicContact CD1-CD1 4.09Å; L335-L383 HydrophobicContact CD2-CD1 4.45Å; L335-L388 HydrophobicContact CD2-CD1 3.91Å
336	E	96.8	Very high	95.8	Very high	60 Å²	60	41.9 Å²	41.9	28%	0.28	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.6	166.9	-63.6	-167.3	148.1	0	0	109.6	R310 I311 R312 V333	R310-E336 IonicContact CZ-OE2 3.83Å; R310-E336 IonicContact NH1-OE2 3.63Å; R310-E336 PolarHBondContact NH1-OE2 2.89Å; I311-E336 CarbonylContact O-C 3.54Å; I311-E336 VanDerWaalsContact O-CA 3.26Å; I311-E336 WeakPolarHBondContact O-CA 3.3Å; R312-E336 HydrophobicContact CG-CG 4.4Å; R312-E336 IonicContact CZ-OE1 3.44Å; R312-E336 IonicContact NE-OE1 3.38Å; R312-E336 PolarHBondContact NE-OE1 2.84Å; R312-E336 IonicContact NH2-OE1 2.94Å; R312-E336 PolarHBondContact NH2-OE1 2.89Å; V333-E336 HydrophobicContact CG1-CG 3.64Å
337	I	97	Very high	95.6	Very high	11 Å²	11	41.5 Å²	41.5	6%	0.056	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.8	179.5	-53.5	173.1	0	0	0	107.1	R310 I311 L335 T361 L383 L384 L388	R310-I337 CarbonylContact C-O 3.58Å; R310-I337 VanDerWaalsContact CA-O 3.28Å; R310-I337 WeakPolarHBondContact CA-O 3.09Å; I311-I337 HydrophobicContact CB-CB 4.44Å; I311-I337 PolarHBondContact N-O 2.89Å; I311-I337 PolarHBondContact O-N 2.83Å; L335-I337 HydrophobicContact CD2-CD1 3.98Å; L335-I337 HydrophobicContact CD2-CG1 4.17Å; L335-I337 HydrophobicContact CG-CD1 4.42Å; L335-I337 HydrophobicContact CG-CG1 4.07Å; I337-T361 HydrophobicContact CD1-CG2 3.67Å; I337-L383 HydrophobicContact CD1-CB 3.88Å; I337-L383 HydrophobicContact CD1-CD1 4.41Å; I337-L383 HydrophobicContact CG1-CB 4.18Å; I337-L383 HydrophobicContact CG1-CD1 4.12Å; I337-L383 HydrophobicContact CG2-CB 4.18Å; I337-L384 HydrophobicContact CG2-CD2 3.72Å; I337-L384 HydrophobicContact CG2-CG 3.8Å; I337-L388 HydrophobicContact CD1-CD1 4.13Å
338	D	95.8	Very high	95.6	Very high	96 Å²	96	39.3 Å²	39.3	51%	0.513	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.6	175.9	-63.6	-44.9	0	0	0	110.1	R310 L384	R310-D338 IonicContact CZ-OD1 3.58Å; R310-D338 IonicContact NE-OD1 2.83Å; R310-D338 PolarHBondContact NE-OD1 2.94Å; R310-D338 IonicContact NH2-OD1 3.67Å; R310-D338 PolarHBondContact NH2-OD1 2.82Å; D338-L384 WeakPolarHBondContact O-CD1 3.4Å
339	E	93.8	Very high	95.6	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.056	20%	0.197	C	C	.	.			trans	-103.3	112.8	178	-79.1	-76.6	-155.7	0	0	110	E309 I311 A341 N345 G364	E309-E339 HydrophobicContact CB-CB 4.4Å; E309-E339 PolarHBondContact O-N 3.37Å; I311-E339 HydrophobicContact CD1-CG 3.88Å; I311-E339 HydrophobicContact CG1-CG 3.58Å; I311-E339 VanDerWaalsContact CG1-OE1 3.23Å; I311-E339 WeakPolarHBondContact CG1-OE1 3.36Å; E339-A341 PolarHBondContact O-N 2.77Å; E339-N345 VanDerWaalsContact CD-ND2 3.29Å; E339-N345 WeakPolarHBondContact OE1-CA 3.26Å; E339-N345 PolarHBondContact OE1-ND2 2.76Å; E339-G364 WeakPolarHBondContact OE2-CA 3.36Å
340	P	94.1	Very high	95.6	Very high	66 Å²	66	29.7 Å²	29.7	43%	0.429	16%	0.163	S	C	.	.	S	Bend	trans	-76.2	-12.5	-177.6	30.1	-33	0	0	0	113.4	G364 F371 L384	P340-G364 WeakPolarHBondContact CG-O 3.17Å; P340-F371 HydrophobicContact CB-CD1 4.09Å; P340-F371 HydrophobicContact CB-CE1 3.56Å; P340-F371 HydrophobicContact CB-CE2 4.29Å; P340-F371 HydrophobicContact CB-CZ 3.67Å; P340-F371 HydrophobicContact CG-CD1 4.1Å; P340-F371 HydrophobicContact CG-CD2 3.96Å; P340-F371 HydrophobicContact CG-CE1 3.76Å; P340-F371 HydrophobicContact CG-CE2 3.58Å; P340-F371 HydrophobicContact CG-CG 4.2Å; P340-F371 HydrophobicContact CG-CZ 3.48Å; P340-F371 VanDerWaalsContact CG-CZ 3.48Å; P340-L384 HydrophobicContact CG-CD1 4.29Å
341	A	92.6	Very high	95.7	Very high	18 Å²	18	29.8 Å²	29.8	15%	0.149	16%	0.16	C	C	.	.	S	Bend	trans	-145.5	164	171.8	0	0	0	0	0	111.7	E339 N343 G364 M366	E339-A341 PolarHBondContact O-N 2.77Å; A341-N343 PolarHBondContact O-N 3.37Å; A341-G364 WeakPolarHBondContact CB-O 3.14Å; A341-G364 PolarHBondContact N-O 2.78Å; A341-M366 HydrophobicContact CB-CG 3.91Å
342	S	89.9	Confident	95.6	Very high	53 Å²	53	26.7 Å²	26.7	37%	0.371	15%	0.148	S	C	.	.	S	Bend	trans	-81.4	11.7	-173.9	67.8	0	0	0	0	114.6	N345	S342-N345 PolarHBondContact O-OD1 3.24Å
343	N	92.7	Very high	95.5	Very high	47 Å²	47	28 Å²	28	25%	0.251	16%	0.159	S	C	.	.	S	Bend	trans	-140.7	166.9	-175.8	79	-43.7	0	0	0	110.9	A341 G364 G365 M366	A341-N343 PolarHBondContact O-N 3.37Å; N343-G364 CarbonylContact O-C 3.53Å; N343-G365 WeakPolarHBondContact O-CA 3.28Å; N343-G365 PolarHBondContact O-N 3.49Å; N343-G365 WeakPolarHBondContact OD1-CA 3.36Å; N343-M366 PolarHBondContact OD1-N 3.42Å; N343-M366 VanDerWaalsContact OD1-N 3.14Å
344	H	95.4	Very high	95.5	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.032	16%	0.161	C	C	.	.			trans	58.3	52.3	-167.9	-48.1	168.5	0	0	0	112.5	E279 G346 G362 D363 G365 R425 N426	E279-H344 VanDerWaalsContact OE2-CA 3.24Å; E279-H344 WeakPolarHBondContact OE2-CA 3.49Å; E279-H344 PolarHBondContact OE2-N 3.15Å; H344-G346 VanDerWaalsContact C-N 3.33Å; H344-G362 CarbonylContact O-C 3.58Å; H344-G362 WeakPolarHBondContact O-CA 3.34Å; H344-D363 WeakPolarHBondContact CB-OD1 3.45Å; H344-D363 IonicContact CE1-OD1 3.62Å; H344-D363 IonicContact CG-OD1 2.72Å; H344-D363 IonicContact ND1-OD1 3.03Å; H344-D363 PolarHBondContact ND1-OD1 3.23Å; H344-D363 IonicContact ND1-OD2 3.09Å; H344-G365 WeakPolarHBondContact ND1-CA 3.19Å; H344-R425 PolarHBondContact CE1-NH2 2.95Å; H344-R425 PolarHBondContact NE2-NH2 3.17Å; H344-N426 WeakPolarHBondContact CA-OD1 3.48Å; H344-N426 HydrophobicContact CB-CB 3.98Å
345	N	94.4	Very high	95.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.172	C	C	.	.			trans	-84	-7.2	-175.5	-63.6	131.4	0	0	0	113.8	E279 L283 Y300 I311 E339 S342 G347	E279-N345 PolarHBondContact OE2-N 3.17Å; L283-N345 HydrophobicContact CD1-CB 3.67Å; Y300-N345 WeakPolarHBondContact CE1-O 3.4Å; Y300-N345 PolarHBondContact OH-O 2.71Å; I311-N345 HydrophobicContact CD1-CB 4.07Å; E339-N345 VanDerWaalsContact CD-ND2 3.29Å; E339-N345 WeakPolarHBondContact OE1-CA 3.26Å; E339-N345 PolarHBondContact OE1-ND2 2.76Å; S342-N345 PolarHBondContact O-OD1 3.24Å; N345-G347 PolarHBondContact O-N 3.48Å
346	G	95	Very high	95.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.			trans	54.6	-131.9	-171.9	0	0	0	0	0	111.3	H344 N426 W428	H344-G346 VanDerWaalsContact C-N 3.33Å; G346-N426 PolarHBondContact N-OD1 3.44Å; G346-W428 WeakPolarHBondContact O-CZ3 3.49Å
347	G	94.5	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.			trans	121.6	8.7	169.3	0	0	0	0	0	116.2	L283 G284 Y300 N345 F360	L283-G347 CarbonylContact C-O 3.54Å; G284-G347 VanDerWaalsContact CA-O 3.23Å; G284-G347 WeakPolarHBondContact CA-O 3.4Å; G284-G347 PolarHBondContact N-O 3.35Å; Y300-G347 VanDerWaalsContact CD1-CA 3.49Å; N345-G347 PolarHBondContact O-N 3.48Å; G347-F360 PolarHBondContact N-O 3.44Å
348	M	96.8	Very high	95.7	Very high	18 Å²	18	28.4 Å²	28.4	9%	0.089	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.4	168.3	-171.7	64.9	-170.3	0	0	111.1	L350 F360 R429 C430	M348-L350 HydrophobicContact CE-CB 3.94Å; M348-L350 HydrophobicContact CE-CD2 4Å; M348-L350 HydrophobicContact CG-CD2 4.32Å; M348-F360 HydrophobicContact CB-CB 3.95Å; M348-F360 HydrophobicContact CB-CD2 3.81Å; M348-F360 HydrophobicContact CB-CG 4.04Å; M348-F360 HydrophobicContact CG-CD2 3.97Å; M348-F360 HydrophobicContact CG-CE2 4.41Å; M348-F360 WeakPolarHBondContact O-CD2 3.08Å; M348-F360 PolarHBondContact O-N 2.84Å; M348-F360 VanDerWaalsContact O-N 3.07Å; M348-R429 PolarHBondContact SD-NH1 3.43Å; M348-C430 WeakPolarHBondContact CE-O 3.27Å; M348-C430 HydrophobicContact CG-CB 3.97Å
349	L	98.1	Very high	95.8	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.4	165.9	-68.4	179.1	0	0	0	108.8	T286 Y300 I313 L357 I359	T286-L349 HydrophobicContact CG2-CB 3.71Å; Y300-L349 HydrophobicContact CD2-CD2 4.09Å; Y300-L349 HydrophobicContact CD2-CG 4.29Å; I313-L349 HydrophobicContact CG2-CD2 4.45Å; L349-L357 HydrophobicContact CD2-CD1 4.39Å; L349-I359 HydrophobicContact CD2-CB 4.09Å; L349-I359 HydrophobicContact CD2-CG1 3.7Å; L349-I359 HydrophobicContact CD2-CG2 3.92Å
350	L	97.7	Very high	96	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.052	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	160.2	172.1	62.7	82	0	0	0	111	M348 Y358 F360 C430 V432 I446	M348-L350 HydrophobicContact CE-CB 3.94Å; M348-L350 HydrophobicContact CE-CD2 4Å; M348-L350 HydrophobicContact CG-CD2 4.32Å; L350-Y358 HydrophobicContact CD1-CD2 4.07Å; L350-Y358 HydrophobicContact CD1-CG 4.1Å; L350-Y358 PolarHBondContact N-O 3.26Å; L350-Y358 PolarHBondContact O-N 2.81Å; L350-F360 HydrophobicContact CD2-CE2 3.84Å; L350-F360 HydrophobicContact CD2-CZ 4.2Å; L350-F360 HydrophobicContact CG-CE2 3.9Å; L350-C430 HydrophobicContact CD2-CB 4.09Å; L350-V432 HydrophobicContact CD1-CG2 3.58Å; L350-V432 HydrophobicContact CD2-CG2 4.15Å; L350-V432 HydrophobicContact CG-CG2 4.35Å; L350-I446 HydrophobicContact CD1-CD1 4.42Å; L350-I446 HydrophobicContact CD2-CG2 4.35Å
351	F	98.4	Very high	96.2	Very high	25 Å²	25	20.2 Å²	20.2	11%	0.11	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.1	166.7	-79.4	-91.7	0	0	0	109.8	T286 F287 H288 P289 Y298 Y356 L357 V392	T286-F351 HydrophobicContact CG2-CD2 3.93Å; T286-F351 HydrophobicContact CG2-CE2 3.81Å; F287-F351 WeakPolarHBondContact O-CD2 3.42Å; F287-F351 WeakPolarHBondContact O-CE2 3.39Å; H288-F351 HydrophobicContact CB-CZ 4.45Å; P289-F351 HydrophobicContact CG-CB 3.59Å; P289-F351 HydrophobicContact CG-CD1 3.64Å; P289-F351 HydrophobicContact CG-CD2 4.2Å; P289-F351 HydrophobicContact CG-CE1 4.34Å; P289-F351 HydrophobicContact CG-CG 3.55Å; Y298-F351 AromaticContact CD2-CE2 3.79Å; Y298-F351 HydrophobicContact CD2-CE2 3.79Å; Y298-F351 AromaticContact CD2-CZ 3.82Å; Y298-F351 HydrophobicContact CD2-CZ 3.82Å; Y298-F351 AromaticContact CE2-CE2 3.98Å; Y298-F351 HydrophobicContact CE2-CE2 3.98Å; Y298-F351 AromaticContact CE2-CZ 3.59Å; Y298-F351 HydrophobicContact CE2-CZ 3.59Å; F351-Y356 WeakPolarHBondContact CA-O 3.43Å; F351-Y356 WeakPolarHBondContact CD1-O 3.33Å; F351-L357 HydrophobicContact CD1-CB 4.44Å; F351-L357 HydrophobicContact CD2-CD1 4.22Å; F351-L357 HydrophobicContact CE1-CB 3.96Å; F351-L357 HydrophobicContact CE2-CD1 3.88Å; F351-L357 HydrophobicContact CZ-CB 4.11Å; F351-L357 HydrophobicContact CZ-CD1 4.06Å; F351-V392 HydrophobicContact CE1-CG2 3.85Å; F351-V392 HydrophobicContact CZ-CG2 3.88Å
352	G	96.8	Very high	96.5	Very high	8 Å²	8	19.3 Å²	19.3	8%	0.082	11%	0.11	C	C	.	.			trans	-70.9	164.1	168.3	0	0	0	0	0	111	D354 G355 Y356	G352-D354 WeakPolarHBondContact CA-OD1 3.37Å; G352-D354 PolarHBondContact O-N 2.55Å; G352-D354 VanDerWaalsContact O-N 3.15Å; G352-G355 PolarHBondContact O-N 2.86Å; G352-Y356 PolarHBondContact N-O 2.95Å; G352-Y356 VanDerWaalsContact N-O 3.09Å
353	D	94.3	Very high	96.8	Very high	82 Å²	82	16.8 Å²	16.8	44%	0.439	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.9	171	-96.5	-43.7	0	0	0	112.9	G355 K443 S444	D353-G355 PolarHBondContact O-N 3.36Å; D353-K443 WeakPolarHBondContact OD1-CE 3.36Å; D353-K443 IonicContact OD1-NZ 2.82Å; D353-K443 PolarHBondContact OD1-NZ 3.29Å; D353-K443 WeakPolarHBondContact OD2-CE 3.11Å; D353-K443 WeakPolarHBondContact OD2-CG 3.36Å; D353-K443 IonicContact OD2-NZ 3.86Å; D353-S444 VanDerWaalsContact CB-OG 3.29Å; D353-S444 WeakPolarHBondContact CB-OG 3.45Å; D353-S444 WeakPolarHBondContact OD2-CB 3.33Å; D353-S444 PolarHBondContact OD2-N 2.98Å; D353-S444 PolarHBondContact OD2-OG 2.88Å
354	D	95.9	Very high	96.9	Very high	64 Å²	64	14.6 Å²	14.6	34%	0.342	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.4	172.2	60.4	5.3	0	0	0	113.3	G352 Y356 Y358 R389	G352-D354 WeakPolarHBondContact CA-OD1 3.37Å; G352-D354 PolarHBondContact O-N 2.55Å; G352-D354 VanDerWaalsContact O-N 3.15Å; D354-Y356 VanDerWaalsContact C-N 3.35Å; D354-Y356 HydrophobicContact CB-CD2 4.03Å; D354-Y356 HydrophobicContact CB-CE2 4.47Å; D354-Y356 PolarHBondContact OD1-N 2.82Å; D354-Y356 VanDerWaalsContact OD1-N 3.16Å; D354-Y358 WeakPolarHBondContact OD1-CE2 3.49Å; D354-Y358 PolarHBondContact OD2-OH 3.43Å; D354-R389 IonicContact OD2-CZ 3.99Å; D354-R389 IonicContact OD2-NE 2.84Å; D354-R389 PolarHBondContact OD2-NE 3.28Å; D354-R389 IonicContact OD2-NH2 3.74Å; D354-R389 PolarHBondContact OD2-NH2 2.85Å
355	G	96.9	Very high	96.8	Very high	26 Å²	26	14.2 Å²	14.2	27%	0.268	8%	0.078	S	C	.	.	S	Bend	trans	83.3	5.9	177.4	0	0	0	0	0	114.7	G352 D353	G352-G355 PolarHBondContact O-N 2.86Å; D353-G355 PolarHBondContact O-N 3.36Å
356	Y	98.6	Very high	96.8	Very high	55 Å²	55	19 Å²	19	22%	0.216	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-92.5	153.5	177.6	-63.3	-57.1	0	0	0	112.2	F351 G352 D354 Y358 R389 D391 P404	F351-Y356 WeakPolarHBondContact CA-O 3.43Å; F351-Y356 WeakPolarHBondContact CD1-O 3.33Å; G352-Y356 PolarHBondContact N-O 2.95Å; G352-Y356 VanDerWaalsContact N-O 3.09Å; D354-Y356 VanDerWaalsContact C-N 3.35Å; D354-Y356 HydrophobicContact CB-CD2 4.03Å; D354-Y356 HydrophobicContact CB-CE2 4.47Å; D354-Y356 PolarHBondContact OD1-N 2.82Å; D354-Y356 VanDerWaalsContact OD1-N 3.16Å; Y356-Y358 WeakPolarHBondContact O-CD2 3.37Å; Y356-R389 VanDerWaalsContact CE2-NH2 3.31Å; Y356-R389 HydrophobicContact CG-CG 4.46Å; Y356-D391 HydrophobicContact CD1-CB 3.67Å; Y356-D391 HydrophobicContact CE1-CB 3.55Å; Y356-P404 HydrophobicContact CD1-CG 3.84Å; Y356-P404 HydrophobicContact CD2-CB 4.28Å; Y356-P404 HydrophobicContact CD2-CG 4.07Å; Y356-P404 HydrophobicContact CE1-CB 4.21Å; Y356-P404 HydrophobicContact CE1-CG 3.92Å; Y356-P404 HydrophobicContact CE2-CB 3.89Å; Y356-P404 HydrophobicContact CE2-CG 4.11Å; Y356-P404 HydrophobicContact CG-CG 3.9Å
357	L	98.8	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.9	175.9	179.3	64.2	0	0	0	109.2	T286 Y298 L349 F351 I359 R389 I390 V392	T286-L357 HydrophobicContact CG2-CD1 3.83Å; Y298-L357 HydrophobicContact CD1-CD2 4.01Å; Y298-L357 HydrophobicContact CG-CD2 4.13Å; L349-L357 HydrophobicContact CD2-CD1 4.39Å; F351-L357 HydrophobicContact CD1-CB 4.44Å; F351-L357 HydrophobicContact CD2-CD1 4.22Å; F351-L357 HydrophobicContact CE1-CB 3.96Å; F351-L357 HydrophobicContact CE2-CD1 3.88Å; F351-L357 HydrophobicContact CZ-CB 4.11Å; F351-L357 HydrophobicContact CZ-CD1 4.06Å; L357-I359 HydrophobicContact CD2-CD1 4.44Å; L357-I359 HydrophobicContact CD2-CG1 4.39Å; L357-I359 HydrophobicContact CG-CG1 4.18Å; L357-R389 WeakPolarHBondContact O-CA 3.44Å; L357-I390 HydrophobicContact CB-CG1 4.13Å; L357-I390 HydrophobicContact CD2-CD1 4.3Å; L357-I390 HydrophobicContact CD2-CG1 4.41Å; L357-I390 PolarHBondContact N-O 2.79Å; L357-I390 PolarHBondContact O-N 2.74Å; L357-V392 HydrophobicContact CB-CG1 4.29Å; L357-V392 HydrophobicContact CB-CG2 4.37Å; L357-V392 HydrophobicContact CD2-CG1 4.02Å
358	Y	98.9	Very high	96.6	Very high	7 Å²	7	22.7 Å²	22.7	3%	0.027	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.3	172.1	-68.9	-109.2	0	0	0	109.9	L350 D354 Y356 V387 L388 R389 Y420 I446	L350-Y358 HydrophobicContact CD1-CD2 4.07Å; L350-Y358 HydrophobicContact CD1-CG 4.1Å; L350-Y358 PolarHBondContact N-O 3.26Å; L350-Y358 PolarHBondContact O-N 2.81Å; D354-Y358 WeakPolarHBondContact OD1-CE2 3.49Å; D354-Y358 PolarHBondContact OD2-OH 3.43Å; Y356-Y358 WeakPolarHBondContact O-CD2 3.37Å; Y358-V387 HydrophobicContact CD1-CG1 3.91Å; Y358-L388 CarbonylContact C-O 3.59Å; Y358-L388 VanDerWaalsContact CA-O 3.22Å; Y358-L388 WeakPolarHBondContact CA-O 3.18Å; Y358-R389 HydrophobicContact CD1-CB 4.24Å; Y358-R389 HydrophobicContact CD1-CG 4.34Å; Y358-R389 HydrophobicContact CD2-CG 4.39Å; Y358-R389 HydrophobicContact CE1-CB 4.11Å; Y358-R389 HydrophobicContact CE1-CG 3.93Å; Y358-R389 HydrophobicContact CE2-CG 3.95Å; Y358-R389 VanDerWaalsContact CZ-CD 3.46Å; Y358-R389 VanDerWaalsContact OH-CD 3.26Å; Y358-R389 WeakPolarHBondContact OH-CD 3.14Å; Y358-R389 PolarHBondContact OH-NE 2.93Å; Y358-R389 VanDerWaalsContact OH-NE 3.08Å; Y358-Y420 HydrophobicContact CD1-CD1 4.43Å; Y358-Y420 AromaticContact CE1-CD1 3.85Å; Y358-Y420 HydrophobicContact CE1-CD1 3.85Å; Y358-Y420 HydrophobicContact CE1-CD2 4.31Å; Y358-Y420 AromaticContact CE1-CE1 3.85Å; Y358-Y420 HydrophobicContact CE1-CE1 3.85Å; Y358-Y420 HydrophobicContact CE1-CE2 4.29Å; Y358-Y420 HydrophobicContact CE1-CG 4.07Å; Y358-I446 HydrophobicContact CD1-CD1 3.99Å; Y358-I446 HydrophobicContact CE1-CD1 3.87Å; Y358-I446 HydrophobicContact CG-CD1 4.42Å
359	I	98.8	Very high	96.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.6	-177.8	-49.8	170.8	0	0	0	107.8	Y300 I313 L335 L349 L357 T361 L388 I390	Y300-I359 HydrophobicContact CD2-CG2 3.97Å; Y300-I359 HydrophobicContact CE2-CG2 3.73Å; I313-I359 HydrophobicContact CD1-CG2 4.18Å; I313-I359 HydrophobicContact CG1-CD1 4.34Å; I313-I359 HydrophobicContact CG1-CG2 4.17Å; I313-I359 HydrophobicContact CG2-CD1 4.46Å; L335-I359 HydrophobicContact CD2-CD1 4.24Å; L349-I359 HydrophobicContact CD2-CB 4.09Å; L349-I359 HydrophobicContact CD2-CG1 3.7Å; L349-I359 HydrophobicContact CD2-CG2 3.92Å; L357-I359 HydrophobicContact CD2-CD1 4.44Å; L357-I359 HydrophobicContact CD2-CG1 4.39Å; L357-I359 HydrophobicContact CG-CG1 4.18Å; I359-T361 HydrophobicContact CG2-CG2 4.21Å; I359-L388 HydrophobicContact CB-CB 4.16Å; I359-L388 HydrophobicContact CB-CD1 4.45Å; I359-L388 PolarHBondContact N-O 2.86Å; I359-L388 PolarHBondContact O-N 3Å; I359-I390 HydrophobicContact CD1-CD1 3.79Å; I359-I390 HydrophobicContact CD1-CG1 4.28Å
360	F	98.4	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.1	-177.5	-62.7	-102.5	0	0	0	109.3	G347 M348 L350 V387 M427 C430 I446 C448 I462	G347-F360 PolarHBondContact N-O 3.44Å; M348-F360 HydrophobicContact CB-CB 3.95Å; M348-F360 HydrophobicContact CB-CD2 3.81Å; M348-F360 HydrophobicContact CB-CG 4.04Å; M348-F360 HydrophobicContact CG-CD2 3.97Å; M348-F360 HydrophobicContact CG-CE2 4.41Å; M348-F360 WeakPolarHBondContact O-CD2 3.08Å; M348-F360 PolarHBondContact O-N 2.84Å; M348-F360 VanDerWaalsContact O-N 3.07Å; L350-F360 HydrophobicContact CD2-CE2 3.84Å; L350-F360 HydrophobicContact CD2-CZ 4.2Å; L350-F360 HydrophobicContact CG-CE2 3.9Å; F360-V387 HydrophobicContact CD1-CB 4.35Å; F360-V387 HydrophobicContact CD1-CG1 4.05Å; F360-V387 HydrophobicContact CD1-CG2 3.64Å; F360-V387 HydrophobicContact CE1-CB 4.18Å; F360-V387 HydrophobicContact CE1-CG1 3.56Å; F360-V387 HydrophobicContact CE1-CG2 3.56Å; F360-V387 HydrophobicContact CE2-CG1 4.31Å; F360-V387 HydrophobicContact CZ-CG1 3.7Å; F360-M427 HydrophobicContact CD1-CB 4.39Å; F360-M427 HydrophobicContact CD1-SD 4.01Å; F360-M427 HydrophobicContact CE1-SD 4.42Å; F360-C430 WeakPolarHBondContact CD1-SG 3.34Å; F360-C430 HydrophobicContact CE1-CB 4.24Å; F360-C430 VanDerWaalsContact CE1-SG 3.51Å; F360-C430 HydrophobicContact CE2-CB 4.47Å; F360-C430 HydrophobicContact CZ-CB 4.2Å; F360-I446 HydrophobicContact CE1-CG2 4.38Å; F360-I446 HydrophobicContact CZ-CG2 3.9Å; F360-C448 WeakPolarHBondContact CE1-SG 3.32Å; F360-I462 HydrophobicContact CE1-CG1 4.22Å
361	T	98.1	Very high	96.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.2	-176.8	58.3	0	0	0	0	109.5	Y300 I337 I359 L383 G385 K386 L388	Y300-T361 HydrophobicContact CE2-CG2 4.44Å; I337-T361 HydrophobicContact CD1-CG2 3.67Å; I359-T361 HydrophobicContact CG2-CG2 4.21Å; T361-L383 WeakPolarHBondContact CB-O 3.35Å; T361-L383 PolarHBondContact OG1-O 2.89Å; T361-G385 WeakPolarHBondContact O-CA 3.46Å; T361-G385 PolarHBondContact O-N 2.97Å; T361-K386 PolarHBondContact N-O 3.23Å; T361-K386 PolarHBondContact O-N 2.88Å; T361-K386 PolarHBondContact OG1-N 3.49Å; T361-K386 PolarHBondContact OG1-O 2.82Å; T361-L388 HydrophobicContact CG2-CD1 4.32Å
362	G	97.4	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.181	C	C	.	.			trans	-74.9	171.4	168.5	0	0	0	0	0	111.4	H344 G364 L384 G385 R425	H344-G362 CarbonylContact O-C 3.58Å; H344-G362 WeakPolarHBondContact O-CA 3.34Å; G362-G364 PolarHBondContact O-N 3.37Å; G362-G364 VanDerWaalsContact O-N 3.16Å; G362-L384 CarbonylContact O-C 3.54Å; G362-L384 WeakPolarHBondContact O-CA 3.37Å; G362-L384 WeakPolarHBondContact O-CB 3.38Å; G362-L384 WeakPolarHBondContact O-CD2 3.34Å; G362-G385 VanDerWaalsContact C-N 3.26Å; G362-G385 PolarHBondContact O-N 3.45Å; G362-R425 CarbonylContact C-O 3.53Å; G362-R425 VanDerWaalsContact CA-O 3.25Å; G362-R425 WeakPolarHBondContact CA-O 3.24Å
363	D	97.2	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.215	C	C	.	.			trans	-69.3	-6.1	-174.5	66.4	6.9	0	0	0	114.6	H344 G365 D369 N376 A377 R425 W470	H344-D363 WeakPolarHBondContact CB-OD1 3.45Å; H344-D363 IonicContact CE1-OD1 3.62Å; H344-D363 IonicContact CG-OD1 2.72Å; H344-D363 IonicContact ND1-OD1 3.03Å; H344-D363 PolarHBondContact ND1-OD1 3.23Å; H344-D363 IonicContact ND1-OD2 3.09Å; D363-G365 PolarHBondContact OD1-N 2.95Å; D363-D369 HydrophobicContact CB-CB 4.23Å; D363-N376 VanDerWaalsContact O-CB 3.27Å; D363-N376 WeakPolarHBondContact O-CB 3.41Å; D363-N376 PolarHBondContact O-ND2 2.95Å; D363-A377 HydrophobicContact CB-CB 4.29Å; D363-R425 PolarHBondContact N-O 2.96Å; D363-W470 PolarHBondContact OD2-NE1 3.26Å
364	G	94.1	Very high	94.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.			trans	89.3	12.4	-178	0	0	0	0	0	114.9	E339 P340 A341 N343 G362 F371	E339-G364 WeakPolarHBondContact OE2-CA 3.36Å; P340-G364 WeakPolarHBondContact CG-O 3.17Å; A341-G364 WeakPolarHBondContact CB-O 3.14Å; A341-G364 PolarHBondContact N-O 2.78Å; N343-G364 CarbonylContact O-C 3.53Å; G362-G364 PolarHBondContact O-N 3.37Å; G362-G364 VanDerWaalsContact O-N 3.16Å; G364-F371 WeakPolarHBondContact O-CE2 3.31Å
365	G	94	Very high	94.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	97.4	-168.1	161.9	0	0	0	0	0	115.3	N343 H344 D363 F371	N343-G365 WeakPolarHBondContact O-CA 3.28Å; N343-G365 PolarHBondContact O-N 3.49Å; N343-G365 WeakPolarHBondContact OD1-CA 3.36Å; H344-G365 WeakPolarHBondContact ND1-CA 3.19Å; D363-G365 PolarHBondContact OD1-N 2.95Å; G365-F371 VanDerWaalsContact O-CE2 3.3Å; G365-F371 WeakPolarHBondContact O-CE2 3.21Å
366	M	93.5	Very high	94.6	Very high	102 Å²	102	33.3 Å²	33.3	50%	0.502	19%	0.189	S	C	.	.	S	Bend	trans	59.9	160.3	-172	-55.7	-172.5	75	0	0	114.7	A341 N343 G368 P370 F371	A341-M366 HydrophobicContact CB-CG 3.91Å; N343-M366 PolarHBondContact OD1-N 3.42Å; N343-M366 VanDerWaalsContact OD1-N 3.14Å; M366-G368 PolarHBondContact O-N 3.37Å; M366-G368 VanDerWaalsContact O-N 3.15Å; M366-P370 HydrophobicContact CB-CG 3.93Å; M366-P370 HydrophobicContact SD-CG 4Å; M366-F371 HydrophobicContact CB-CZ 4.37Å; M366-F371 HydrophobicContact CG-CZ 3.95Å; M366-F371 HydrophobicContact SD-CE1 4.07Å; M366-F371 HydrophobicContact SD-CZ 3.81Å
367	A	93	Very high	94.5	Very high	75 Å²	75	30.7 Å²	30.7	62%	0.62	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	117.4	-179.3	0	0	0	0	0	111.3
368	G	92.6	Very high	94.3	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	33.4	172.4	0	0	0	0	0	114.7	M366 Q453 R471 Y479	M366-G368 PolarHBondContact O-N 3.37Å; M366-G368 VanDerWaalsContact O-N 3.15Å; G368-Q453 VanDerWaalsContact N-OE1 3.08Å; G368-R471 WeakPolarHBondContact O-CD 3.39Å; G368-R471 PolarHBondContact O-NE 3.24Å; G368-R471 PolarHBondContact O-NH1 3.17Å; G368-Y479 WeakPolarHBondContact CA-OH 3.16Å
369	D	95.2	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.			trans	41.8	72.9	171.8	-179.6	9.5	0	0	0	113.3	D363 F371 G375 N376 A377 R471	D363-D369 HydrophobicContact CB-CB 4.23Å; D369-F371 PolarHBondContact O-N 3.47Å; D369-F371 WeakPolarHBondContact OD1-CD2 3.1Å; D369-G375 WeakPolarHBondContact O-CA 3.47Å; D369-G375 VanDerWaalsContact OD1-CA 3.27Å; D369-G375 WeakPolarHBondContact OD1-CA 3.25Å; D369-G375 WeakPolarHBondContact OD2-CA 3.19Å; D369-N376 PolarHBondContact OD1-N 2.86Å; D369-N376 PolarHBondContact OD2-N 2.98Å; D369-A377 WeakPolarHBondContact OD2-CB 3.25Å; D369-A377 PolarHBondContact OD2-N 2.94Å; D369-R471 HydrophobicContact CB-CB 4.25Å; D369-R471 HydrophobicContact CB-CG 4.43Å; D369-R471 WeakPolarHBondContact O-CD 3.3Å; D369-R471 PolarHBondContact O-NH1 3.02Å
370	P	93.9	Very high	93.9	Very high	61 Å²	61	36.6 Å²	36.6	40%	0.396	21%	0.208	S	C	.	.			trans	-77	3.4	-173.4	32.9	-36.4	0	0	0	113.7	M366 G372	M366-P370 HydrophobicContact CB-CG 3.93Å; M366-P370 HydrophobicContact SD-CG 4Å; P370-G372 PolarHBondContact O-N 2.99Å
371	F	93.7	Very high	93.8	Very high	41 Å²	41	39.7 Å²	39.7	18%	0.18	23%	0.23	C	C	.	.	S	Bend	trans	-84.9	115.5	-166.6	-53.2	-65	0	0	0	112.1	P340 G364 G365 M366 D369 G375 N376	P340-F371 HydrophobicContact CB-CD1 4.09Å; P340-F371 HydrophobicContact CB-CE1 3.56Å; P340-F371 HydrophobicContact CB-CE2 4.29Å; P340-F371 HydrophobicContact CB-CZ 3.67Å; P340-F371 HydrophobicContact CG-CD1 4.1Å; P340-F371 HydrophobicContact CG-CD2 3.96Å; P340-F371 HydrophobicContact CG-CE1 3.76Å; P340-F371 HydrophobicContact CG-CE2 3.58Å; P340-F371 HydrophobicContact CG-CG 4.2Å; P340-F371 HydrophobicContact CG-CZ 3.48Å; P340-F371 VanDerWaalsContact CG-CZ 3.48Å; G364-F371 WeakPolarHBondContact O-CE2 3.31Å; G365-F371 VanDerWaalsContact O-CE2 3.3Å; G365-F371 WeakPolarHBondContact O-CE2 3.21Å; M366-F371 HydrophobicContact CB-CZ 4.37Å; M366-F371 HydrophobicContact CG-CZ 3.95Å; M366-F371 HydrophobicContact SD-CE1 4.07Å; M366-F371 HydrophobicContact SD-CZ 3.81Å; D369-F371 PolarHBondContact O-N 3.47Å; D369-F371 WeakPolarHBondContact OD1-CD2 3.1Å; F371-G375 CarbonylContact O-C 3.57Å; F371-G375 WeakPolarHBondContact O-CA 3.25Å; F371-G375 PolarHBondContact O-N 3.05Å; F371-N376 WeakPolarHBondContact CB-ND2 3.42Å; F371-N376 VanDerWaalsContact CD2-ND2 3.3Å; F371-N376 WeakPolarHBondContact CD2-ND2 3.49Å; F371-N376 PolarHBondContact O-N 2.86Å
372	G	88.3	Confident	93.8	Very high	68 Å²	68	40.4 Å²	40.4	70%	0.701	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	-166.1	-176.2	0	0	0	0	0	113.6	P370	P370-G372 PolarHBondContact O-N 2.99Å
373	K	86.1	Confident	93.8	Very high	185 Å²	185	41.3 Å²	41.3	80%	0.804	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-32	-172.3	-173.1	-178.9	172.6	-169	0	113.5
374	H	86.8	Confident	93.8	Very high	81 Å²	81	41.8 Å²	41.8	38%	0.375	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	6.4	-171.5	-61.1	-60	0	0	0	113.2	Q378 L483	H374-Q378 HydrophobicContact CB-CB 4.1Å; H374-L483 VanDerWaalsContact ND1-CD2 3.34Å; H374-L483 WeakPolarHBondContact ND1-CD2 3.46Å
375	G	93.5	Very high	94	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	24%	0.243	C	C	.	.			trans	86.9	155.3	-169.2	0	0	0	0	0	112.8	D369 F371 A377 N379	D369-G375 WeakPolarHBondContact O-CA 3.47Å; D369-G375 VanDerWaalsContact OD1-CA 3.27Å; D369-G375 WeakPolarHBondContact OD1-CA 3.25Å; D369-G375 WeakPolarHBondContact OD2-CA 3.19Å; F371-G375 CarbonylContact O-C 3.57Å; F371-G375 WeakPolarHBondContact O-CA 3.25Å; F371-G375 PolarHBondContact O-N 3.05Å; G375-A377 VanDerWaalsContact C-N 3.29Å; G375-A377 PolarHBondContact O-N 3.42Å; G375-N379 WeakPolarHBondContact O-CB 3.31Å; G375-N379 PolarHBondContact O-N 2.8Å; G375-N379 VanDerWaalsContact O-N 3.16Å
376	N	96.6	Very high	94.2	Very high	21 Å²	21	41.8 Å²	41.8	11%	0.112	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-42.9	170.2	-79.3	-25.2	0	0	0	111.5	D363 D369 F371 Q378 N379 L384 K386	D363-N376 VanDerWaalsContact O-CB 3.27Å; D363-N376 WeakPolarHBondContact O-CB 3.41Å; D363-N376 PolarHBondContact O-ND2 2.95Å; D369-N376 PolarHBondContact OD1-N 2.86Å; D369-N376 PolarHBondContact OD2-N 2.98Å; F371-N376 WeakPolarHBondContact CB-ND2 3.42Å; F371-N376 VanDerWaalsContact CD2-ND2 3.3Å; F371-N376 WeakPolarHBondContact CD2-ND2 3.49Å; F371-N376 PolarHBondContact O-N 2.86Å; N376-Q378 VanDerWaalsContact C-N 3.34Å; N376-Q378 PolarHBondContact O-N 3.36Å; N376-N379 PolarHBondContact O-N 2.75Å; N376-L384 CarbonylContact C-O 3.58Å; N376-L384 HydrophobicContact CB-CB 3.96Å; N376-L384 WeakPolarHBondContact ND2-CD1 3.49Å; N376-K386 PolarHBondContact O-NZ 3.21Å
377	A	95.9	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-41.5	-174.9	0	0	0	0	0	112.9	D363 D369 G375 K386 G423 V424 W470	D363-A377 HydrophobicContact CB-CB 4.29Å; D369-A377 WeakPolarHBondContact OD2-CB 3.25Å; D369-A377 PolarHBondContact OD2-N 2.94Å; G375-A377 VanDerWaalsContact C-N 3.29Å; G375-A377 PolarHBondContact O-N 3.42Å; A377-K386 PolarHBondContact O-NZ 3.33Å; A377-G423 PolarHBondContact O-N 2.89Å; A377-V424 WeakPolarHBondContact CB-O 3.35Å; A377-W470 VanDerWaalsContact CB-CD1 3.49Å; A377-W470 HydrophobicContact CB-CG 4.36Å; A377-W470 VanDerWaalsContact CB-O 3.29Å; A377-W470 WeakPolarHBondContact CB-O 3Å
378	Q	94.6	Very high	94.7	Very high	31 Å²	31	33.4 Å²	33.4	15%	0.145	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-18.7	175.7	-68.6	-61.4	-55.3	0	0	113.7	H374 N376 K380 N467 W470	H374-Q378 HydrophobicContact CB-CB 4.1Å; N376-Q378 VanDerWaalsContact C-N 3.34Å; N376-Q378 PolarHBondContact O-N 3.36Å; Q378-K380 PolarHBondContact O-N 3.26Å; Q378-N467 PolarHBondContact NE2-OD1 3.11Å; Q378-N467 PolarHBondContact OE1-ND2 2.82Å; Q378-N467 VanDerWaalsContact OE1-ND2 3.1Å; Q378-W470 WeakPolarHBondContact CG-O 3.29Å; Q378-W470 PolarHBondContact NE2-O 3.17Å
379	N	94.9	Very high	95	Very high	63 Å²	63	33.8 Å²	33.8	34%	0.337	19%	0.191	S	C	.	.			trans	-80.7	103	178.5	-176.8	9.9	0	0	0	111.2	G375 N376 S381 A382 K386	G375-N379 WeakPolarHBondContact O-CB 3.31Å; G375-N379 PolarHBondContact O-N 2.8Å; G375-N379 VanDerWaalsContact O-N 3.16Å; N376-N379 PolarHBondContact O-N 2.75Å; N379-S381 PolarHBondContact O-N 3.48Å; N379-S381 VanDerWaalsContact O-N 3.15Å; N379-S381 VanDerWaalsContact OD1-CB 3.22Å; N379-S381 WeakPolarHBondContact OD1-CB 3.14Å; N379-S381 PolarHBondContact OD1-N 2.78Å; N379-S381 PolarHBondContact OD1-OG 2.91Å; N379-A382 HydrophobicContact CB-CB 4.36Å; N379-A382 WeakPolarHBondContact O-CB 3.22Å; N379-A382 PolarHBondContact O-N 3.43Å; N379-K386 WeakPolarHBondContact O-CE 3.47Å; N379-K386 PolarHBondContact O-NZ 3.32Å
380	K	95.3	Very high	95.2	Very high	36 Å²	36	33.9 Å²	33.9	16%	0.157	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.8	175.6	-61.7	-179.5	-170	164.8	0	114.4	Q378 A382 F409 E412 A415 R416 Y422	Q378-K380 PolarHBondContact O-N 3.26Å; K380-A382 VanDerWaalsContact C-N 3.27Å; K380-F409 HydrophobicContact CD-CD1 4.17Å; K380-F409 HydrophobicContact CD-CE1 4.18Å; K380-F409 HydrophobicContact CD-CG 4.38Å; K380-F409 HydrophobicContact CD-CZ 4.41Å; K380-E412 WeakPolarHBondContact CD-OE1 3.46Å; K380-E412 IonicContact NZ-OE1 2.82Å; K380-E412 PolarHBondContact NZ-OE1 2.91Å; K380-E412 IonicContact NZ-OE2 2.71Å; K380-E412 PolarHBondContact NZ-OE2 3.38Å; K380-A415 HydrophobicContact CB-CB 3.98Å; K380-R416 PolarHBondContact O-N 3.29Å; K380-Y422 HydrophobicContact CG-CD1 4.49Å; K380-Y422 HydrophobicContact CG-CD2 4.4Å; K380-Y422 HydrophobicContact CG-CG 4.37Å
381	S	96.1	Very high	95.4	Very high	66 Å²	66	31.7 Å²	31.7	46%	0.462	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-12.2	173.7	-34.1	0	0	0	0	112.2	N379 G414 R416	N379-S381 PolarHBondContact O-N 3.48Å; N379-S381 VanDerWaalsContact O-N 3.15Å; N379-S381 VanDerWaalsContact OD1-CB 3.22Å; N379-S381 WeakPolarHBondContact OD1-CB 3.14Å; N379-S381 PolarHBondContact OD1-N 2.78Å; N379-S381 PolarHBondContact OD1-OG 2.91Å; S381-G414 WeakPolarHBondContact CA-O 3.12Å; S381-G414 VanDerWaalsContact CB-O 3.25Å; S381-G414 WeakPolarHBondContact CB-O 3.45Å; S381-G414 PolarHBondContact OG-O 2.83Å; S381-G414 VanDerWaalsContact OG-O 3.09Å; S381-R416 WeakPolarHBondContact O-CG 3.44Å
382	A	96.3	Very high	95.6	Very high	16 Å²	16	29.9 Å²	29.9	13%	0.132	17%	0.168	C	C	.	.	S	Bend	trans	-96.8	159.8	175.7	0	0	0	0	0	111.3	N379 K380 K386	N379-A382 HydrophobicContact CB-CB 4.36Å; N379-A382 WeakPolarHBondContact O-CB 3.22Å; N379-A382 PolarHBondContact O-N 3.43Å; K380-A382 VanDerWaalsContact C-N 3.27Å; A382-K386 WeakPolarHBondContact O-CE 3.32Å
383	L	97.6	Very high	95.9	Very high	19 Å²	19	28.4 Å²	28.4	10%	0.099	14%	0.144	C	C	.	.	S	Bend	trans	-101	-3.2	174.3	-64.2	176.8	0	0	0	113.2	L335 I337 T361 L388 R416 E418	L335-L383 HydrophobicContact CD1-CD1 4.09Å; L335-L383 HydrophobicContact CD2-CD1 4.45Å; I337-L383 HydrophobicContact CD1-CB 3.88Å; I337-L383 HydrophobicContact CD1-CD1 4.41Å; I337-L383 HydrophobicContact CG1-CB 4.18Å; I337-L383 HydrophobicContact CG1-CD1 4.12Å; I337-L383 HydrophobicContact CG2-CB 4.18Å; T361-L383 WeakPolarHBondContact CB-O 3.35Å; T361-L383 PolarHBondContact OG1-O 2.89Å; L383-L388 HydrophobicContact CB-CD1 4.31Å; L383-L388 HydrophobicContact CD2-CD1 4.13Å; L383-L388 HydrophobicContact CD2-CD2 3.79Å; L383-R416 HydrophobicContact CD2-CB 3.85Å; L383-R416 HydrophobicContact CD2-CG 3.94Å; L383-R416 HydrophobicContact CG-CG 4.38Å; L383-E418 HydrophobicContact CD2-CB 4.1Å; L383-E418 HydrophobicContact CD2-CG 4.4Å
384	L	98	Very high	96.2	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.052	14%	0.136	C	C	.	.	S	Bend	trans	-93.7	145.1	177.8	-69.1	170.7	0	0	0	111.3	I337 D338 P340 G362 N376 K386	I337-L384 HydrophobicContact CG2-CD2 3.72Å; I337-L384 HydrophobicContact CG2-CG 3.8Å; D338-L384 WeakPolarHBondContact O-CD1 3.4Å; P340-L384 HydrophobicContact CG-CD1 4.29Å; G362-L384 CarbonylContact O-C 3.54Å; G362-L384 WeakPolarHBondContact O-CA 3.37Å; G362-L384 WeakPolarHBondContact O-CB 3.38Å; G362-L384 WeakPolarHBondContact O-CD2 3.34Å; N376-L384 CarbonylContact C-O 3.58Å; N376-L384 HydrophobicContact CB-CB 3.96Å; N376-L384 WeakPolarHBondContact ND2-CD1 3.49Å; L384-K386 PolarHBondContact O-NZ 3.15Å
385	G	97.6	Very high	96.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	65	47.2	-174.1	0	0	0	0	0	110.4	T361 G362 G423 V424	T361-G385 WeakPolarHBondContact O-CA 3.46Å; T361-G385 PolarHBondContact O-N 2.97Å; G362-G385 VanDerWaalsContact C-N 3.26Å; G362-G385 PolarHBondContact O-N 3.45Å; G385-G423 PolarHBondContact O-N 3.28Å; G385-V424 WeakPolarHBondContact CA-O 3.39Å
386	K	98.2	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.7	-173.2	-57	-64.1	170.7	-73.8	0	112	T361 N376 A377 N379 A382 L384 L388 V419 Y422	T361-K386 PolarHBondContact N-O 3.23Å; T361-K386 PolarHBondContact O-N 2.88Å; T361-K386 PolarHBondContact OG1-N 3.49Å; T361-K386 PolarHBondContact OG1-O 2.82Å; N376-K386 PolarHBondContact O-NZ 3.21Å; A377-K386 PolarHBondContact O-NZ 3.33Å; N379-K386 WeakPolarHBondContact O-CE 3.47Å; N379-K386 PolarHBondContact O-NZ 3.32Å; A382-K386 WeakPolarHBondContact O-CE 3.32Å; L384-K386 PolarHBondContact O-NZ 3.15Å; K386-L388 HydrophobicContact CB-CD2 3.58Å; K386-L388 HydrophobicContact CB-CG 4.24Å; K386-L388 HydrophobicContact CG-CD2 4.13Å; K386-V419 HydrophobicContact CD-CG1 3.79Å; K386-V419 HydrophobicContact CD-CG2 3.9Å; K386-V419 HydrophobicContact CG-CG2 4.11Å; K386-Y422 VanDerWaalsContact CD-CB 3.44Å
387	V	98.7	Very high	95.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.9	152.2	-173.4	0	0	0	0	106.8	Y358 F360 Y420 A421 M427 I462	Y358-V387 HydrophobicContact CD1-CG1 3.91Å; F360-V387 HydrophobicContact CD1-CB 4.35Å; F360-V387 HydrophobicContact CD1-CG1 4.05Å; F360-V387 HydrophobicContact CD1-CG2 3.64Å; F360-V387 HydrophobicContact CE1-CB 4.18Å; F360-V387 HydrophobicContact CE1-CG1 3.56Å; F360-V387 HydrophobicContact CE1-CG2 3.56Å; F360-V387 HydrophobicContact CE2-CG1 4.31Å; F360-V387 HydrophobicContact CZ-CG1 3.7Å; V387-Y420 HydrophobicContact CG1-CD1 4.28Å; V387-Y420 WeakPolarHBondContact O-CA 2.97Å; V387-Y420 WeakPolarHBondContact O-CB 3.19Å; V387-Y420 PolarHBondContact O-N 3.22Å; V387-A421 HydrophobicContact CB-CB 4.09Å; V387-A421 HydrophobicContact CG2-CB 4.24Å; V387-A421 PolarHBondContact N-O 3.26Å; V387-A421 PolarHBondContact O-N 2.97Å; V387-A421 VanDerWaalsContact O-N 3.08Å; V387-M427 HydrophobicContact CG2-SD 4.23Å; V387-I462 HydrophobicContact CB-CG2 4.31Å; V387-I462 HydrophobicContact CG1-CG2 4.24Å; V387-I462 HydrophobicContact CG2-CG2 3.89Å
388	L	98.8	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	149.2	176.5	-47.1	177.3	0	0	0	109.7	L335 I337 Y358 I359 T361 L383 K386 E418 V419	L335-L388 HydrophobicContact CD2-CD1 3.91Å; I337-L388 HydrophobicContact CD1-CD1 4.13Å; Y358-L388 CarbonylContact C-O 3.59Å; Y358-L388 VanDerWaalsContact CA-O 3.22Å; Y358-L388 WeakPolarHBondContact CA-O 3.18Å; I359-L388 HydrophobicContact CB-CB 4.16Å; I359-L388 HydrophobicContact CB-CD1 4.45Å; I359-L388 PolarHBondContact N-O 2.86Å; I359-L388 PolarHBondContact O-N 3Å; T361-L388 HydrophobicContact CG2-CD1 4.32Å; L383-L388 HydrophobicContact CB-CD1 4.31Å; L383-L388 HydrophobicContact CD2-CD1 4.13Å; L383-L388 HydrophobicContact CD2-CD2 3.79Å; K386-L388 HydrophobicContact CB-CD2 3.58Å; K386-L388 HydrophobicContact CB-CG 4.24Å; K386-L388 HydrophobicContact CG-CD2 4.13Å; L388-E418 CarbonylContact C-O 3.6Å; L388-E418 VanDerWaalsContact CA-O 3.28Å; L388-E418 WeakPolarHBondContact CA-O 3.48Å; L388-E418 HydrophobicContact CB-CB 4.42Å; L388-E418 HydrophobicContact CD2-CB 4.19Å; L388-V419 HydrophobicContact CD2-CG2 4.01Å
389	R	98.8	Very high	94.9	Very high	11 Å²	11	39.1 Å²	39.1	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	117.5	177.1	-176.2	-174.4	172.7	-123.6	14.6	110.3	D354 Y356 L357 Y358 P404 D406 N407 E418 Y420	D354-R389 IonicContact OD2-CZ 3.99Å; D354-R389 IonicContact OD2-NE 2.84Å; D354-R389 PolarHBondContact OD2-NE 3.28Å; D354-R389 IonicContact OD2-NH2 3.74Å; D354-R389 PolarHBondContact OD2-NH2 2.85Å; Y356-R389 VanDerWaalsContact CE2-NH2 3.31Å; Y356-R389 HydrophobicContact CG-CG 4.46Å; L357-R389 WeakPolarHBondContact O-CA 3.44Å; Y358-R389 HydrophobicContact CD1-CB 4.24Å; Y358-R389 HydrophobicContact CD1-CG 4.34Å; Y358-R389 HydrophobicContact CD2-CG 4.39Å; Y358-R389 HydrophobicContact CE1-CB 4.11Å; Y358-R389 HydrophobicContact CE1-CG 3.93Å; Y358-R389 HydrophobicContact CE2-CG 3.95Å; Y358-R389 VanDerWaalsContact CZ-CD 3.46Å; Y358-R389 VanDerWaalsContact OH-CD 3.26Å; Y358-R389 WeakPolarHBondContact OH-CD 3.14Å; Y358-R389 PolarHBondContact OH-NE 2.93Å; Y358-R389 VanDerWaalsContact OH-NE 3.08Å; R389-P404 HydrophobicContact CG-CG 4.27Å; R389-P404 WeakPolarHBondContact O-CD 3.36Å; R389-D406 IonicContact CZ-OD1 2.85Å; R389-D406 IonicContact CZ-OD2 3.98Å; R389-D406 VanDerWaalsContact NH1-CG 3.34Å; R389-D406 IonicContact NH1-OD1 3.61Å; R389-D406 PolarHBondContact NH1-OD1 3.09Å; R389-D406 IonicContact NH1-OD2 3.66Å; R389-D406 PolarHBondContact NH1-OD2 3.03Å; R389-D406 IonicContact NH2-OD1 2.74Å; R389-D406 IonicContact NH2-OD2 3.72Å; R389-N407 PolarHBondContact NH1-OD1 2.92Å; R389-N407 PolarHBondContact O-ND2 2.99Å; R389-E418 PolarHBondContact N-O 3.47Å; R389-Y420 HydrophobicContact CB-CD2 4.12Å; R389-Y420 HydrophobicContact CB-CG 4.12Å; R389-Y420 HydrophobicContact CG-CD2 4.43Å
390	I	98.8	Very high	95	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.2	-175.2	62.8	173.1	0	0	0	112.5	I334 L357 I359 V392 Y401 E418	I334-I390 HydrophobicContact CG2-CD1 3.83Å; L357-I390 HydrophobicContact CB-CG1 4.13Å; L357-I390 HydrophobicContact CD2-CD1 4.3Å; L357-I390 HydrophobicContact CD2-CG1 4.41Å; L357-I390 PolarHBondContact N-O 2.79Å; L357-I390 PolarHBondContact O-N 2.74Å; I359-I390 HydrophobicContact CD1-CD1 3.79Å; I359-I390 HydrophobicContact CD1-CG1 4.28Å; I390-V392 HydrophobicContact CD1-CG1 4.16Å; I390-V392 HydrophobicContact CG1-CG1 4.26Å; I390-Y401 HydrophobicContact CB-CD2 3.89Å; I390-Y401 HydrophobicContact CB-CG 4.32Å; I390-Y401 HydrophobicContact CD1-CD1 4.38Å; I390-Y401 HydrophobicContact CD1-CD2 4.27Å; I390-Y401 HydrophobicContact CD1-CG 3.97Å; I390-Y401 HydrophobicContact CG2-CD2 3.76Å; I390-Y401 HydrophobicContact CG2-CE2 4.01Å; I390-E418 HydrophobicContact CG2-CB 4.28Å; I390-E418 HydrophobicContact CG2-CG 4.12Å
391	D	98.4	Very high	95.1	Very high	16 Å²	16	40.2 Å²	40.2	9%	0.086	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-99.9	113.5	175.9	177.4	17.3	0	0	0	111.2	Y356 D393 Y401 R402 P404	Y356-D391 HydrophobicContact CD1-CB 3.67Å; Y356-D391 HydrophobicContact CE1-CB 3.55Å; D391-D393 WeakPolarHBondContact OD1-CB 3.23Å; D391-D393 PolarHBondContact OD1-N 2.94Å; D391-Y401 CarbonylContact O-C 3.58Å; D391-Y401 WeakPolarHBondContact O-CA 3.41Å; D391-Y401 WeakPolarHBondContact O-CB 3.39Å; D391-R402 HydrophobicContact CB-CB 4.12Å; D391-R402 PolarHBondContact N-O 2.71Å; D391-R402 PolarHBondContact O-N 2.67Å; D391-R402 IonicContact OD1-NH2 3.24Å; D391-R402 IonicContact OD2-CZ 3.92Å; D391-R402 VanDerWaalsContact OD2-CZ 3.24Å; D391-R402 IonicContact OD2-NE 3.37Å; D391-R402 PolarHBondContact OD2-NE 2.91Å; D391-R402 IonicContact OD2-NH2 3.54Å; D391-R402 PolarHBondContact OD2-NH2 2.94Å; D391-P404 HydrophobicContact CB-CG 4.49Å
392	V	97.8	Very high	95.2	Very high	2 Å²	2	42 Å²	42	1%	0.012	22%	0.218	C	C	.	.			trans	-101.9	1.2	179.5	-63.3	0	0	0	0	112.9	Y298 F351 L357 I390 N395	Y298-V392 HydrophobicContact CE1-CB 4.07Å; Y298-V392 HydrophobicContact CE1-CG1 4.02Å; Y298-V392 HydrophobicContact CE1-CG2 4.18Å; Y298-V392 HydrophobicContact CE2-CG2 4.17Å; Y298-V392 WeakPolarHBondContact OH-CG2 3.28Å; F351-V392 HydrophobicContact CE1-CG2 3.85Å; F351-V392 HydrophobicContact CZ-CG2 3.88Å; L357-V392 HydrophobicContact CB-CG1 4.29Å; L357-V392 HydrophobicContact CB-CG2 4.37Å; L357-V392 HydrophobicContact CD2-CG1 4.02Å; I390-V392 HydrophobicContact CD1-CG1 4.16Å; I390-V392 HydrophobicContact CG1-CG1 4.26Å; V392-N395 PolarHBondContact O-ND2 3.12Å; V392-N395 PolarHBondContact O-OD1 2.96Å
393	D	95.8	Very high	95.3	Very high	38 Å²	38	43.9 Å²	43.9	20%	0.203	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	147.1	177.6	-99	-25.6	0	0	0	111.2	H288 K290 D391 N395 R402	H288-D393 IonicContact CE1-OD1 3.87Å; H288-D393 PolarHBondContact CE1-OD1 3.38Å; H288-D393 VanDerWaalsContact CE1-OD1 3.25Å; H288-D393 IonicContact NE2-OD1 2.84Å; H288-D393 PolarHBondContact NE2-OD1 3.49Å; H288-D393 VanDerWaalsContact NE2-OD1 3.07Å; K290-D393 IonicContact NZ-OD1 3.61Å; K290-D393 IonicContact NZ-OD2 3.5Å; K290-D393 PolarHBondContact NZ-OD2 2.83Å; D391-D393 WeakPolarHBondContact OD1-CB 3.23Å; D391-D393 PolarHBondContact OD1-N 2.94Å; D393-N395 PolarHBondContact O-N 2.94Å; D393-R402 PolarHBondContact O-NH2 3.46Å
394	N	91.8	Very high	95.3	Very high	117 Å²	117	43 Å²	43	63%	0.626	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	26	-179.3	-49.1	-75.1	0	0	0	115.2	R402	N394-R402 PolarHBondContact ND2-NH2 2.93Å
395	N	91.7	Very high	95.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.011	26%	0.255	C	S	.	.			trans	-84.7	-2.3	-178.2	73.1	-6.1	0	0	0	114.5	K296 E315 R332 V392 D393 K397 G398 P399 L400	K296-N395 PolarHBondContact NZ-OD1 2.82Å; E315-N395 PolarHBondContact OE2-ND2 2.77Å; E315-N395 PolarHBondContact OE2-OD1 2.9Å; R332-N395 VanDerWaalsContact NH1-CG 3.28Å; R332-N395 PolarHBondContact NH1-ND2 3.32Å; R332-N395 PolarHBondContact NH1-O 2.88Å; R332-N395 PolarHBondContact NH1-OD1 2.86Å; R332-N395 PolarHBondContact NH2-O 3.24Å; V392-N395 PolarHBondContact O-ND2 3.12Å; V392-N395 PolarHBondContact O-OD1 2.96Å; D393-N395 PolarHBondContact O-N 2.94Å; N395-K397 VanDerWaalsContact C-N 3.28Å; N395-K397 PolarHBondContact O-N 2.79Å; N395-G398 PolarHBondContact O-N 3.15Å; N395-P399 VanDerWaalsContact CB-O 3.3Å; N395-P399 WeakPolarHBondContact CB-O 3.47Å; N395-L400 VanDerWaalsContact CB-O 3.26Å; N395-L400 WeakPolarHBondContact CB-O 3.48Å; N395-L400 PolarHBondContact ND2-O 3.03Å
396	D	87.2	Confident	95.3	Very high	87 Å²	87	50.8 Å²	50.8	47%	0.465	27%	0.271	S	S	.	.	S	Bend	trans	-63.6	-27.9	-172.4	-65.5	-74.5	0	0	0	114.4	K296 K317	K296-D396 IonicContact NZ-OD1 2.73Å; K296-D396 PolarHBondContact NZ-OD1 3.04Å; K296-D396 IonicContact NZ-OD2 3.9Å; K296-D396 PolarHBondContact NZ-OD2 2.8Å; K317-D396 IonicContact NZ-OD1 2.71Å; K317-D396 PolarHBondContact NZ-OD1 3.04Å
397	K	85.5	Confident	95.3	Very high	216 Å²	216	51.1 Å²	51.1	94%	0.939	27%	0.273	S	S	*	.	S	Bend	trans	-128.4	2.9	177	-60.9	-175.6	-178.4	-179.9	0	113.1	N395	N395-K397 VanDerWaalsContact C-N 3.28Å; N395-K397 PolarHBondContact O-N 2.79Å
398	G	84.3	Confident	95.3	Very high	39 Å²	39	53.3 Å²	53.3	40%	0.402	29%	0.287	S	S	.	.	S	Bend	trans	-110.7	-163.5	-173.4	0	0	0	0	0	112.2	N395	N395-G398 PolarHBondContact O-N 3.15Å
399	P	92.5	Very high	95.2	Very high	83 Å²	83	54 Å²	54	54%	0.539	29%	0.29	S	S	.	.			trans	-58.4	152.3	168	29.9	-36.1	0	0	0	110	N395 Y401 R402	N395-P399 VanDerWaalsContact CB-O 3.3Å; N395-P399 WeakPolarHBondContact CB-O 3.47Å; P399-Y401 WeakPolarHBondContact CB-O 3.17Å; P399-Y401 PolarHBondContact O-N 3.02Å; P399-R402 HydrophobicContact CG-CG 3.87Å
400	L	95.6	Very high	95.1	Very high	72 Å²	72	56.3 Å²	56.3	38%	0.377	30%	0.302	S	S	.	.	S	Bend	trans	-57.8	-35.4	-177.4	-62.7	171.7	0	0	0	112.3	V333 I334 N395	V333-L400 VanDerWaalsContact O-CD1 3.28Å; V333-L400 WeakPolarHBondContact O-CD1 3.49Å; I334-L400 HydrophobicContact CD1-CB 4.27Å; N395-L400 VanDerWaalsContact CB-O 3.26Å; N395-L400 WeakPolarHBondContact CB-O 3.48Å; N395-L400 PolarHBondContact ND2-O 3.03Å
401	Y	97.8	Very high	95	Very high	49 Å²	49	64.6 Å²	64.6	19%	0.192	34%	0.341	C	S	.	.			trans	-150.5	168.5	170	64.8	-88.4	0	0	0	109.8	I334 I390 D391 P399 I403 E418	I334-Y401 HydrophobicContact CG2-CD1 3.75Å; I334-Y401 HydrophobicContact CG2-CG 4.37Å; I334-Y401 VanDerWaalsContact O-CE1 3.31Å; I334-Y401 WeakPolarHBondContact O-CE1 3.16Å; I390-Y401 HydrophobicContact CB-CD2 3.89Å; I390-Y401 HydrophobicContact CB-CG 4.32Å; I390-Y401 HydrophobicContact CD1-CD1 4.38Å; I390-Y401 HydrophobicContact CD1-CD2 4.27Å; I390-Y401 HydrophobicContact CD1-CG 3.97Å; I390-Y401 HydrophobicContact CG2-CD2 3.76Å; I390-Y401 HydrophobicContact CG2-CE2 4.01Å; D391-Y401 CarbonylContact O-C 3.58Å; D391-Y401 WeakPolarHBondContact O-CA 3.41Å; D391-Y401 WeakPolarHBondContact O-CB 3.39Å; P399-Y401 WeakPolarHBondContact CB-O 3.17Å; P399-Y401 PolarHBondContact O-N 3.02Å; Y401-I403 HydrophobicContact CD2-CD1 4.33Å; Y401-I403 HydrophobicContact CE2-CD1 3.9Å; Y401-E418 HydrophobicContact CE2-CG 4.21Å; Y401-E418 PolarHBondContact OH-OE1 3.02Å
402	R	97.7	Very high	95	Very high	105 Å²	105	67.6 Å²	67.6	40%	0.396	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-122.9	163.5	172.3	-58.3	178.9	-65.4	-158	2.1	109.6	D391 D393 N394 P399	D391-R402 HydrophobicContact CB-CB 4.12Å; D391-R402 PolarHBondContact N-O 2.71Å; D391-R402 PolarHBondContact O-N 2.67Å; D391-R402 IonicContact OD1-NH2 3.24Å; D391-R402 IonicContact OD2-CZ 3.92Å; D391-R402 VanDerWaalsContact OD2-CZ 3.24Å; D391-R402 IonicContact OD2-NE 3.37Å; D391-R402 PolarHBondContact OD2-NE 2.91Å; D391-R402 IonicContact OD2-NH2 3.54Å; D391-R402 PolarHBondContact OD2-NH2 2.94Å; D393-R402 PolarHBondContact O-NH2 3.46Å; N394-R402 PolarHBondContact ND2-NH2 2.93Å; P399-R402 HydrophobicContact CG-CG 3.87Å
403	I	98.3	Very high	94.9	Very high	54 Å²	54	73.7 Å²	73.7	28%	0.277	39%	0.394	S	S	.	.			trans	-91.1	124.8	172.6	-54.2	-55.2	0	0	0	108.5	Y401 S405 N407 I410 P417 E418	Y401-I403 HydrophobicContact CD2-CD1 4.33Å; Y401-I403 HydrophobicContact CE2-CD1 3.9Å; I403-S405 PolarHBondContact O-N 2.89Å; I403-N407 HydrophobicContact CG2-CB 4.23Å; I403-I410 HydrophobicContact CG2-CD1 4.23Å; I403-I410 HydrophobicContact CG2-CG1 4.09Å; I403-P417 HydrophobicContact CD1-CB 4.33Å; I403-P417 HydrophobicContact CD1-CG 4.15Å; I403-P417 HydrophobicContact CG1-CB 4.04Å; I403-P417 HydrophobicContact CG1-CG 4.03Å; I403-P417 HydrophobicContact CG2-CB 3.93Å; I403-P417 WeakPolarHBondContact CG2-O 3.47Å; I403-E418 HydrophobicContact CD1-CG 3.76Å
404	P	98.3	Very high	94.8	Very high	2 Å²	2	74.7 Å²	74.7	1%	0.013	41%	0.413	C	S	.	.			trans	-54.6	128.5	169.1	-24.7	33.9	0	0	0	110.3	Y356 R389 D391 D406 N407 I410	Y356-P404 HydrophobicContact CD1-CG 3.84Å; Y356-P404 HydrophobicContact CD2-CB 4.28Å; Y356-P404 HydrophobicContact CD2-CG 4.07Å; Y356-P404 HydrophobicContact CE1-CB 4.21Å; Y356-P404 HydrophobicContact CE1-CG 3.92Å; Y356-P404 HydrophobicContact CE2-CB 3.89Å; Y356-P404 HydrophobicContact CE2-CG 4.11Å; Y356-P404 HydrophobicContact CG-CG 3.9Å; R389-P404 HydrophobicContact CG-CG 4.27Å; R389-P404 WeakPolarHBondContact O-CD 3.36Å; D391-P404 HydrophobicContact CB-CG 4.49Å; P404-D406 PolarHBondContact O-N 2.83Å; P404-N407 PolarHBondContact O-N 3.48Å; P404-I410 VanDerWaalsContact O-CD1 3.26Å; P404-I410 WeakPolarHBondContact O-CD1 3.14Å
405	S	97.4	Very high	95.1	Very high	109 Å²	109	69.9 Å²	69.9	76%	0.762	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.9	-173.5	56.9	0	0	0	0	114	I403 I410	I403-S405 PolarHBondContact O-N 2.89Å; S405-I410 VanDerWaalsContact C-CD1 3.46Å; S405-I410 VanDerWaalsContact O-CD1 3.23Å; S405-I410 WeakPolarHBondContact O-CD1 3.37Å
406	D	97.8	Very high	95.4	Very high	64 Å²	64	74.3 Å²	74.3	34%	0.342	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1.7	178.9	76	-49.1	0	0	0	112.8	R389 P404 K464	R389-D406 IonicContact CZ-OD1 2.85Å; R389-D406 IonicContact CZ-OD2 3.98Å; R389-D406 VanDerWaalsContact NH1-CG 3.34Å; R389-D406 IonicContact NH1-OD1 3.61Å; R389-D406 PolarHBondContact NH1-OD1 3.09Å; R389-D406 IonicContact NH1-OD2 3.66Å; R389-D406 PolarHBondContact NH1-OD2 3.03Å; R389-D406 IonicContact NH2-OD1 2.74Å; R389-D406 IonicContact NH2-OD2 3.72Å; P404-D406 PolarHBondContact O-N 2.83Å; D406-K464 WeakPolarHBondContact O-CE 3.37Å; D406-K464 PolarHBondContact O-NZ 2.82Å; D406-K464 IonicContact OD2-NZ 2.76Å; D406-K464 PolarHBondContact OD2-NZ 2.9Å
407	N	98.5	Very high	95.9	Very high	7 Å²	7	72.1 Å²	72.1	4%	0.037	40%	0.397	C	S	.	.			trans	-54	141.6	174.7	-86.2	10.3	0	0	0	111.8	R389 I403 P404 F409 I410 P417	R389-N407 PolarHBondContact NH1-OD1 2.92Å; R389-N407 PolarHBondContact O-ND2 2.99Å; I403-N407 HydrophobicContact CG2-CB 4.23Å; P404-N407 PolarHBondContact O-N 3.48Å; N407-F409 VanDerWaalsContact C-N 3.31Å; N407-F409 PolarHBondContact O-N 2.86Å; N407-I410 HydrophobicContact CB-CD1 3.92Å; N407-I410 HydrophobicContact CB-CG1 3.87Å; N407-I410 WeakPolarHBondContact O-CD1 3.37Å; N407-I410 WeakPolarHBondContact O-CG1 3.11Å; N407-P417 PolarHBondContact ND2-O 3.45Å
408	P	98.1	Very high	96.5	Very high	46 Å²	46	62.1 Å²	62.1	30%	0.299	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.9	-163.8	23.6	-31.8	0	0	0	114.7	Y420 K464	P408-Y420 VanDerWaalsContact CG-O 3.31Å; P408-Y420 WeakPolarHBondContact CG-O 3.32Å; P408-K464 HydrophobicContact CB-CG 4.18Å; P408-K464 HydrophobicContact CG-CG 4.12Å
409	F	97.7	Very high	97.2	Very high	15 Å²	15	60.3 Å²	60.3	7%	0.066	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	13.7	-169.6	-53	-59.3	0	0	0	114.8	K380 N407 H411 E412 A415 V419 Y422	K380-F409 HydrophobicContact CD-CD1 4.17Å; K380-F409 HydrophobicContact CD-CE1 4.18Å; K380-F409 HydrophobicContact CD-CG 4.38Å; K380-F409 HydrophobicContact CD-CZ 4.41Å; N407-F409 VanDerWaalsContact C-N 3.31Å; N407-F409 PolarHBondContact O-N 2.86Å; F409-H411 PolarHBondContact O-N 2.67Å; F409-H411 VanDerWaalsContact O-N 3.13Å; F409-E412 HydrophobicContact CB-CB 4.34Å; F409-E412 WeakPolarHBondContact CD1-OE2 3.31Å; F409-E412 PolarHBondContact O-N 3.23Å; F409-E412 VanDerWaalsContact O-N 3.07Å; F409-A415 HydrophobicContact CB-CB 3.89Å; F409-V419 HydrophobicContact CD2-CB 3.96Å; F409-V419 HydrophobicContact CD2-CG1 3.68Å; F409-V419 WeakPolarHBondContact CD2-O 3.47Å; F409-V419 HydrophobicContact CE2-CG1 3.76Å; F409-Y422 HydrophobicContact CE2-CD1 4.09Å; F409-Y422 HydrophobicContact CE2-CE1 4.44Å; F409-Y422 AromaticContact CZ-CD1 3.94Å; F409-Y422 HydrophobicContact CZ-CD1 3.94Å; F409-Y422 AromaticContact CZ-CE1 3.82Å; F409-Y422 HydrophobicContact CZ-CE1 3.82Å
410	I	97.4	Very high	97.5	Very high	59 Å²	59	57.7 Å²	57.7	30%	0.303	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.8	-177.2	-60.7	166.8	0	0	0	112.6	I403 P404 S405 N407 P417	I403-I410 HydrophobicContact CG2-CD1 4.23Å; I403-I410 HydrophobicContact CG2-CG1 4.09Å; P404-I410 VanDerWaalsContact O-CD1 3.26Å; P404-I410 WeakPolarHBondContact O-CD1 3.14Å; S405-I410 VanDerWaalsContact C-CD1 3.46Å; S405-I410 VanDerWaalsContact O-CD1 3.23Å; S405-I410 WeakPolarHBondContact O-CD1 3.37Å; N407-I410 HydrophobicContact CB-CD1 3.92Å; N407-I410 HydrophobicContact CB-CG1 3.87Å; N407-I410 WeakPolarHBondContact O-CD1 3.37Å; N407-I410 WeakPolarHBondContact O-CG1 3.11Å; I410-P417 HydrophobicContact CG1-CB 4.46Å
411	H	96.3	Very high	97.7	Very high	175 Å²	175	54.2 Å²	54.2	81%	0.81	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	2.6	-177.2	-56.8	-51.3	0	0	0	113.3	F409 P413	F409-H411 PolarHBondContact O-N 2.67Å; F409-H411 VanDerWaalsContact O-N 3.13Å; H411-P413 WeakPolarHBondContact O-CD 3.22Å
412	E	96.9	Very high	97.7	Very high	79 Å²	79	53.1 Å²	53.1	37%	0.369	29%	0.292	S	S	.	.	S	Bend	trans	-85.4	117.4	178.2	-173.9	172.1	158.9	0	0	109.9	K380 F409 G414 A415	K380-E412 WeakPolarHBondContact CD-OE1 3.46Å; K380-E412 IonicContact NZ-OE1 2.82Å; K380-E412 PolarHBondContact NZ-OE1 2.91Å; K380-E412 IonicContact NZ-OE2 2.71Å; K380-E412 PolarHBondContact NZ-OE2 3.38Å; F409-E412 HydrophobicContact CB-CB 4.34Å; F409-E412 WeakPolarHBondContact CD1-OE2 3.31Å; F409-E412 PolarHBondContact O-N 3.23Å; F409-E412 VanDerWaalsContact O-N 3.07Å; E412-G414 PolarHBondContact O-N 3Å; E412-A415 HydrophobicContact CB-CB 3.87Å; E412-A415 HydrophobicContact CG-CB 4.06Å; E412-A415 PolarHBondContact O-N 3.37Å
413	P	96.2	Very high	97.6	Very high	130 Å²	130	48.1 Å²	48.1	84%	0.844	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	126.3	-177.3	-24.4	34.7	0	0	0	112.4	H411 A415	H411-P413 WeakPolarHBondContact O-CD 3.22Å; P413-A415 VanDerWaalsContact C-N 3.26Å; P413-A415 PolarHBondContact O-N 3.06Å
414	G	94.6	Very high	97.5	Very high	59 Å²	59	45.6 Å²	45.6	61%	0.608	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-14.6	178.8	0	0	0	0	0	114.7	S381 E412	S381-G414 WeakPolarHBondContact CA-O 3.12Å; S381-G414 VanDerWaalsContact CB-O 3.25Å; S381-G414 WeakPolarHBondContact CB-O 3.45Å; S381-G414 PolarHBondContact OG-O 2.83Å; S381-G414 VanDerWaalsContact OG-O 3.09Å; E412-G414 PolarHBondContact O-N 3Å
415	A	97.3	Very high	97.5	Very high	16 Å²	16	46 Å²	46	13%	0.132	26%	0.261	C	S	.	.			trans	-71.5	147.1	173.6	0	0	0	0	0	111.2	K380 F409 E412 P413	K380-A415 HydrophobicContact CB-CB 3.98Å; F409-A415 HydrophobicContact CB-CB 3.89Å; E412-A415 HydrophobicContact CB-CB 3.87Å; E412-A415 HydrophobicContact CG-CB 4.06Å; E412-A415 PolarHBondContact O-N 3.37Å; P413-A415 VanDerWaalsContact C-N 3.26Å; P413-A415 PolarHBondContact O-N 3.06Å
416	R	98.1	Very high	97.4	Very high	95 Å²	95	41.1 Å²	41.1	36%	0.358	23%	0.226	S	C	.	.			trans	-76.2	122.7	172	-71.9	-58.2	-63	-134.6	-1.8	109.4	K380 S381 L383 E418 V419	K380-R416 PolarHBondContact O-N 3.29Å; S381-R416 WeakPolarHBondContact O-CG 3.44Å; L383-R416 HydrophobicContact CD2-CB 3.85Å; L383-R416 HydrophobicContact CD2-CG 3.94Å; L383-R416 HydrophobicContact CG-CG 4.38Å; R416-E418 VanDerWaalsContact CB-OE2 3.32Å; R416-E418 WeakPolarHBondContact CB-OE2 3.33Å; R416-E418 IonicContact CZ-OE1 3.44Å; R416-E418 IonicContact CZ-OE2 3.87Å; R416-E418 IonicContact NE-OE1 3.19Å; R416-E418 IonicContact NE-OE2 3.44Å; R416-E418 PolarHBondContact NE-OE2 2.98Å; R416-E418 VanDerWaalsContact NE-OE2 3.12Å; R416-E418 IonicContact NH2-OE1 3.45Å; R416-E418 PolarHBondContact NH2-OE1 3.11Å; R416-E418 IonicContact NH2-OE2 2.9Å; R416-E418 PolarHBondContact O-N 2.88Å; R416-V419 HydrophobicContact CB-CG2 3.83Å; R416-V419 WeakPolarHBondContact O-CB 3.41Å; R416-V419 WeakPolarHBondContact O-CG2 3.42Å; R416-V419 PolarHBondContact O-N 3.42Å; R416-V419 VanDerWaalsContact O-N 3.09Å
417	P	98.2	Very high	97.3	Very high	41 Å²	41	38.1 Å²	38.1	27%	0.266	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.9	-176.6	29.6	-38	0	0	0	113.3	I403 N407 I410 V419	I403-P417 HydrophobicContact CD1-CB 4.33Å; I403-P417 HydrophobicContact CD1-CG 4.15Å; I403-P417 HydrophobicContact CG1-CB 4.04Å; I403-P417 HydrophobicContact CG1-CG 4.03Å; I403-P417 HydrophobicContact CG2-CB 3.93Å; I403-P417 WeakPolarHBondContact CG2-O 3.47Å; N407-P417 PolarHBondContact ND2-O 3.45Å; I410-P417 HydrophobicContact CG1-CB 4.46Å; P417-V419 VanDerWaalsContact C-N 3.26Å; P417-V419 PolarHBondContact O-N 2.76Å
418	E	98.6	Very high	97.1	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.028	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.5	172.9	-56.9	88.3	157	0	0	112.7	L383 L388 R389 I390 Y401 I403 R416 Y420	L383-E418 HydrophobicContact CD2-CB 4.1Å; L383-E418 HydrophobicContact CD2-CG 4.4Å; L388-E418 CarbonylContact C-O 3.6Å; L388-E418 VanDerWaalsContact CA-O 3.28Å; L388-E418 WeakPolarHBondContact CA-O 3.48Å; L388-E418 HydrophobicContact CB-CB 4.42Å; L388-E418 HydrophobicContact CD2-CB 4.19Å; R389-E418 PolarHBondContact N-O 3.47Å; I390-E418 HydrophobicContact CG2-CB 4.28Å; I390-E418 HydrophobicContact CG2-CG 4.12Å; Y401-E418 HydrophobicContact CE2-CG 4.21Å; Y401-E418 PolarHBondContact OH-OE1 3.02Å; I403-E418 HydrophobicContact CD1-CG 3.76Å; R416-E418 VanDerWaalsContact CB-OE2 3.32Å; R416-E418 WeakPolarHBondContact CB-OE2 3.33Å; R416-E418 IonicContact CZ-OE1 3.44Å; R416-E418 IonicContact CZ-OE2 3.87Å; R416-E418 IonicContact NE-OE1 3.19Å; R416-E418 IonicContact NE-OE2 3.44Å; R416-E418 PolarHBondContact NE-OE2 2.98Å; R416-E418 VanDerWaalsContact NE-OE2 3.12Å; R416-E418 IonicContact NH2-OE1 3.45Å; R416-E418 PolarHBondContact NH2-OE1 3.11Å; R416-E418 IonicContact NH2-OE2 2.9Å; R416-E418 PolarHBondContact O-N 2.88Å; E418-Y420 PolarHBondContact O-N 2.96Å
419	V	98.7	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	121	-172.4	177.4	0	0	0	0	110.4	K386 L388 F409 R416 P417	K386-V419 HydrophobicContact CD-CG1 3.79Å; K386-V419 HydrophobicContact CD-CG2 3.9Å; K386-V419 HydrophobicContact CG-CG2 4.11Å; L388-V419 HydrophobicContact CD2-CG2 4.01Å; F409-V419 HydrophobicContact CD2-CB 3.96Å; F409-V419 HydrophobicContact CD2-CG1 3.68Å; F409-V419 WeakPolarHBondContact CD2-O 3.47Å; F409-V419 HydrophobicContact CE2-CG1 3.76Å; R416-V419 HydrophobicContact CB-CG2 3.83Å; R416-V419 WeakPolarHBondContact O-CB 3.41Å; R416-V419 WeakPolarHBondContact O-CG2 3.42Å; R416-V419 PolarHBondContact O-N 3.42Å; R416-V419 VanDerWaalsContact O-N 3.09Å; P417-V419 VanDerWaalsContact C-N 3.26Å; P417-V419 PolarHBondContact O-N 2.76Å
420	Y	98.6	Very high	97.1	Very high	28 Å²	28	36.7 Å²	36.7	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-43.6	173.2	180	-99.3	0	0	0	111.6	Y358 V387 R389 P408 E418 I462 K464 G465	Y358-Y420 HydrophobicContact CD1-CD1 4.43Å; Y358-Y420 AromaticContact CE1-CD1 3.85Å; Y358-Y420 HydrophobicContact CE1-CD1 3.85Å; Y358-Y420 HydrophobicContact CE1-CD2 4.31Å; Y358-Y420 AromaticContact CE1-CE1 3.85Å; Y358-Y420 HydrophobicContact CE1-CE1 3.85Å; Y358-Y420 HydrophobicContact CE1-CE2 4.29Å; Y358-Y420 HydrophobicContact CE1-CG 4.07Å; V387-Y420 HydrophobicContact CG1-CD1 4.28Å; V387-Y420 WeakPolarHBondContact O-CA 2.97Å; V387-Y420 WeakPolarHBondContact O-CB 3.19Å; V387-Y420 PolarHBondContact O-N 3.22Å; R389-Y420 HydrophobicContact CB-CD2 4.12Å; R389-Y420 HydrophobicContact CB-CG 4.12Å; R389-Y420 HydrophobicContact CG-CD2 4.43Å; P408-Y420 VanDerWaalsContact CG-O 3.31Å; P408-Y420 WeakPolarHBondContact CG-O 3.32Å; E418-Y420 PolarHBondContact O-N 2.96Å; Y420-I462 HydrophobicContact CD1-CG2 4.35Å; Y420-I462 HydrophobicContact CE1-CG2 4.22Å; Y420-K464 HydrophobicContact CD2-CB 4.48Å; Y420-K464 HydrophobicContact CD2-CG 4.2Å; Y420-K464 HydrophobicContact CE1-CB 4.36Å; Y420-K464 HydrophobicContact CE2-CB 3.64Å; Y420-K464 HydrophobicContact CE2-CD 4.11Å; Y420-K464 HydrophobicContact CE2-CG 3.65Å; Y420-K464 VanDerWaalsContact CZ-CA 3.48Å; Y420-K464 WeakPolarHBondContact OH-CB 3.41Å; Y420-K464 PolarHBondContact OH-N 3.43Å; Y420-G465 WeakPolarHBondContact O-CA 3.38Å; Y420-G465 PolarHBondContact O-N 3.3Å
421	A	98.5	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	163.6	172.6	0	0	0	0	0	110.4	V387 I462 Y468	V387-A421 HydrophobicContact CB-CB 4.09Å; V387-A421 HydrophobicContact CG2-CB 4.24Å; V387-A421 PolarHBondContact N-O 3.26Å; V387-A421 PolarHBondContact O-N 2.97Å; V387-A421 VanDerWaalsContact O-N 3.08Å; A421-I462 HydrophobicContact CB-CG2 4.15Å; A421-Y468 HydrophobicContact CB-CD2 4.47Å; A421-Y468 HydrophobicContact CB-CE2 3.88Å
422	Y	97.9	Very high	97.1	Very high	26 Å²	26	27 Å²	27	10%	0.102	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	176.1	-173.6	72.2	-77.7	0	0	0	112.4	K380 K386 F409 C466 N467 Y468	K380-Y422 HydrophobicContact CG-CD1 4.49Å; K380-Y422 HydrophobicContact CG-CD2 4.4Å; K380-Y422 HydrophobicContact CG-CG 4.37Å; K386-Y422 VanDerWaalsContact CD-CB 3.44Å; F409-Y422 HydrophobicContact CE2-CD1 4.09Å; F409-Y422 HydrophobicContact CE2-CE1 4.44Å; F409-Y422 AromaticContact CZ-CD1 3.94Å; F409-Y422 HydrophobicContact CZ-CD1 3.94Å; F409-Y422 AromaticContact CZ-CE1 3.82Å; F409-Y422 HydrophobicContact CZ-CE1 3.82Å; Y422-C466 WeakPolarHBondContact CD1-O 2.99Å; Y422-C466 PolarHBondContact N-O 2.93Å; Y422-C466 VanDerWaalsContact N-O 3.11Å; Y422-N467 HydrophobicContact CD1-CB 4.47Å; Y422-N467 HydrophobicContact CD2-CB 4.47Å; Y422-N467 HydrophobicContact CE1-CB 3.83Å; Y422-N467 HydrophobicContact CE2-CB 3.84Å; Y422-N467 WeakPolarHBondContact CE2-ND2 2.94Å; Y422-N467 VanDerWaalsContact CZ-CB 3.48Å; Y422-N467 CarbonylContact O-C 3.58Å; Y422-N467 WeakPolarHBondContact O-CA 3.42Å; Y422-N467 PolarHBondContact OH-ND2 3.22Å; Y422-Y468 PolarHBondContact O-N 3.02Å
423	G	96.5	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.			trans	78.3	30.8	178.9	0	0	0	0	0	113.3	A377 G385 Y468 G469 W470	A377-G423 PolarHBondContact O-N 2.89Å; G385-G423 PolarHBondContact O-N 3.28Å; G423-Y468 CarbonylContact O-C 3.36Å; G423-Y468 WeakPolarHBondContact O-CA 3.22Å; G423-Y468 VanDerWaalsContact O-CB 3.28Å; G423-Y468 WeakPolarHBondContact O-CB 3.36Å; G423-G469 PolarHBondContact O-N 2.74Å; G423-W470 WeakPolarHBondContact CA-O 3.27Å; G423-W470 WeakPolarHBondContact O-CA 3.1Å; G423-W470 VanDerWaalsContact O-CB 3.23Å; G423-W470 WeakPolarHBondContact O-CB 3.47Å; G423-W470 PolarHBondContact O-N 2.85Å
424	V	96.7	Very high	97.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.112	C	C	.	.			trans	-103	152.2	175.7	-55.4	0	0	0	0	109.4	A377 G385 M427 D450 Y468	A377-V424 WeakPolarHBondContact CB-O 3.35Å; G385-V424 WeakPolarHBondContact CA-O 3.39Å; V424-M427 HydrophobicContact CB-CE 3.93Å; V424-M427 HydrophobicContact CB-CG 4.08Å; V424-M427 HydrophobicContact CB-SD 3.96Å; V424-M427 HydrophobicContact CG1-CE 3.27Å; V424-M427 HydrophobicContact CG1-CG 4.34Å; V424-M427 HydrophobicContact CG1-SD 3.6Å; V424-M427 HydrophobicContact CG2-SD 4.35Å; V424-D450 VanDerWaalsContact CA-OD2 3.26Å; V424-D450 WeakPolarHBondContact CA-OD2 3.21Å; V424-D450 WeakPolarHBondContact CB-OD2 3.22Å; V424-Y468 HydrophobicContact CG1-CD2 3.74Å; V424-Y468 HydrophobicContact CG1-CG 3.98Å
425	R	97	Very high	97	Very high	11 Å²	11	18.7 Å²	18.7	4%	0.042	9%	0.085	C	C	.	.	S	Bend	trans	-94.2	-68	-177	-177.2	171	176.7	-73.9	-2.1	112.1	H344 G362 D363 D450 V451 G452 Q453 W470	H344-R425 PolarHBondContact CE1-NH2 2.95Å; H344-R425 PolarHBondContact NE2-NH2 3.17Å; G362-R425 CarbonylContact C-O 3.53Å; G362-R425 VanDerWaalsContact CA-O 3.25Å; G362-R425 WeakPolarHBondContact CA-O 3.24Å; D363-R425 PolarHBondContact N-O 2.96Å; R425-D450 WeakPolarHBondContact CB-OD1 3.19Å; R425-D450 PolarHBondContact N-OD1 3.28Å; R425-D450 PolarHBondContact N-OD2 3.17Å; R425-V451 WeakPolarHBondContact CD-O 3.37Å; R425-V451 PolarHBondContact NH1-O 2.93Å; R425-G452 PolarHBondContact NH1-O 3.33Å; R425-Q453 VanDerWaalsContact NH2-CD 3.28Å; R425-W470 VanDerWaalsContact CA-CD1 3.43Å; R425-W470 HydrophobicContact CB-CB 4.2Å; R425-W470 HydrophobicContact CB-CD2 3.7Å; R425-W470 HydrophobicContact CB-CE3 4.38Å; R425-W470 HydrophobicContact CB-CG 3.57Å; R425-W470 HydrophobicContact CG-CD2 3.85Å; R425-W470 HydrophobicContact CG-CE3 4.46Å; R425-W470 HydrophobicContact CG-CG 4.16Å; R425-W470 HydrophobicContact CG-CZ2 3.96Å
426	N	96.4	Very high	96.7	Very high	6 Å²	6	19 Å²	19	3%	0.032	9%	0.085	C	C	.	.			trans	-150.9	71.5	179.6	-169.3	30.9	0	0	0	109.4	E279 H344 G346 W428 D450 V451	E279-N426 PolarHBondContact OE2-ND2 3.35Å; H344-N426 WeakPolarHBondContact CA-OD1 3.48Å; H344-N426 HydrophobicContact CB-CB 3.98Å; G346-N426 PolarHBondContact N-OD1 3.44Å; N426-W428 PolarHBondContact O-N 2.04Å; N426-D450 VanDerWaalsContact C-OD1 3.22Å; N426-D450 PolarHBondContact N-OD1 2.69Å; N426-V451 HydrophobicContact CB-CB 4.26Å; N426-V451 PolarHBondContact O-N 2.91Å
427	M	95.1	Very high	96.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	115.7	173.9	-79.5	-177.4	173.5	0	0	110.4	F360 V387 V424 C448 G449 D450 D460 I462	F360-M427 HydrophobicContact CD1-CB 4.39Å; F360-M427 HydrophobicContact CD1-SD 4.01Å; F360-M427 HydrophobicContact CE1-SD 4.42Å; V387-M427 HydrophobicContact CG2-SD 4.23Å; V424-M427 HydrophobicContact CB-CE 3.93Å; V424-M427 HydrophobicContact CB-CG 4.08Å; V424-M427 HydrophobicContact CB-SD 3.96Å; V424-M427 HydrophobicContact CG1-CE 3.27Å; V424-M427 HydrophobicContact CG1-CG 4.34Å; V424-M427 HydrophobicContact CG1-SD 3.6Å; V424-M427 HydrophobicContact CG2-SD 4.35Å; M427-C448 HydrophobicContact CE-CB 4.01Å; M427-C448 HydrophobicContact CG-CB 4.19Å; M427-C448 HydrophobicContact SD-CB 3.82Å; M427-G449 WeakPolarHBondContact CA-O 3.41Å; M427-D450 HydrophobicContact CE-CB 4.09Å; M427-D450 HydrophobicContact CG-CB 3.78Å; M427-D450 PolarHBondContact N-OD1 3.01Å; M427-D460 HydrophobicContact CE-CB 4.21Å; M427-I462 HydrophobicContact CE-CD1 3.37Å; M427-I462 HydrophobicContact SD-CD1 3.82Å
428	W	94.6	Very high	95.4	Very high	33 Å²	33	22.5 Å²	22.5	13%	0.125	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-69.6	-171.7	-178.9	-117.1	0	0	0	112.9	L228 L283 G346 N426 G449 V451 I573	L228-W428 HydrophobicContact CD1-CH2 4.34Å; L228-W428 HydrophobicContact CD2-CH2 4Å; L228-W428 HydrophobicContact CD2-CZ2 3.65Å; L283-W428 HydrophobicContact CD2-CH2 4.25Å; L283-W428 HydrophobicContact CD2-CZ3 4.49Å; G346-W428 WeakPolarHBondContact O-CZ3 3.49Å; N426-W428 PolarHBondContact O-N 2.04Å; W428-G449 PolarHBondContact N-O 3.06Å; W428-G449 VanDerWaalsContact N-O 3.11Å; W428-V451 HydrophobicContact CB-CG2 4.45Å; W428-I573 PolarHBondContact NE1-O 3.17Å
429	R	96.4	Very high	95.1	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.019	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.7	170.4	-68.8	-74.6	166.6	-118.5	9.1	112.3	L228 L283 M348 G449 T507 S574	L228-R429 PolarHBondContact O-NE 3.21Å; L228-R429 PolarHBondContact O-NH2 3.23Å; L283-R429 PolarHBondContact O-NH2 2.85Å; M348-R429 PolarHBondContact SD-NH1 3.43Å; R429-G449 PolarHBondContact O-N 3.48Å; R429-T507 WeakPolarHBondContact CB-O 3.3Å; R429-T507 PolarHBondContact N-O 2.01Å; R429-S574 WeakPolarHBondContact CD-OG 3.27Å; R429-S574 PolarHBondContact NE-OG 2.79Å
430	C	97.9	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	160.3	169.8	-53.4	0	0	0	0	110.6	M348 L350 F360 I446 F447 C448	M348-C430 WeakPolarHBondContact CE-O 3.27Å; M348-C430 HydrophobicContact CG-CB 3.97Å; L350-C430 HydrophobicContact CD2-CB 4.09Å; F360-C430 WeakPolarHBondContact CD1-SG 3.34Å; F360-C430 HydrophobicContact CE1-CB 4.24Å; F360-C430 VanDerWaalsContact CE1-SG 3.51Å; F360-C430 HydrophobicContact CE2-CB 4.47Å; F360-C430 HydrophobicContact CZ-CB 4.2Å; C430-I446 HydrophobicContact CB-CG2 4.29Å; C430-F447 CarbonylContact C-O 3.47Å; C430-F447 WeakPolarHBondContact CA-O 3.44Å; C430-F447 WeakPolarHBondContact CB-O 3.27Å; C430-C448 HydrophobicContact CB-CB 4.04Å; C430-C448 WeakPolarHBondContact CB-SG 3.49Å; C430-C448 WeakPolarHBondContact SG-CB 3.09Å; C430-C448 CovalentContact SG-SG 2.03Å; C430-C448 PolarHBondContact SG-SG 2.87Å
431	S	97.6	Very high	94.4	Very high	2 Å²	2	36 Å²	36	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152	176.9	56.9	0	0	0	0	111	I446 F447 G509 Y510	S431-I446 CarbonylContact O-C 3.49Å; S431-I446 WeakPolarHBondContact O-CA 3.36Å; S431-F447 PolarHBondContact N-O 2.68Å; S431-F447 PolarHBondContact O-N 3.35Å; S431-G509 WeakPolarHBondContact CB-O 3.31Å; S431-G509 PolarHBondContact OG-O 3.42Å; S431-Y510 VanDerWaalsContact CB-CE1 3.41Å; S431-Y510 WeakPolarHBondContact OG-CA 3.33Å
432	V	97.7	Very high	94.1	Very high	29 Å²	29	36.7 Å²	36.7	18%	0.176	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.6	172.4	-172.2	0	0	0	0	108.1	L350 R434 R445 I446	L350-V432 HydrophobicContact CD1-CG2 3.58Å; L350-V432 HydrophobicContact CD2-CG2 4.15Å; L350-V432 HydrophobicContact CG-CG2 4.35Å; V432-R434 PolarHBondContact O-N 2.86Å; V432-R434 VanDerWaalsContact O-N 3.13Å; V432-R445 WeakPolarHBondContact CA-O 3.49Å; V432-I446 HydrophobicContact CG2-CG1 4.32Å
433	D	97.3	Very high	94	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.197	C	C	.	.			trans	-63.1	115	169.9	-176.3	-1.4	0	0	0	108.6	G435 G442 K443 S444 R445 F447 V511 R513	D433-G435 PolarHBondContact O-N 2.47Å; D433-G435 VanDerWaalsContact O-N 3.12Å; D433-G435 WeakPolarHBondContact OD1-CA 3.42Å; D433-G435 PolarHBondContact OD1-N 2.75Å; D433-G442 WeakPolarHBondContact CB-O 3.17Å; D433-G442 VanDerWaalsContact CG-O 3.3Å; D433-G442 WeakPolarHBondContact OD2-CA 3.15Å; D433-G442 VanDerWaalsContact OD2-O 3.09Å; D433-K443 CarbonylContact O-C 3.54Å; D433-K443 WeakPolarHBondContact O-CA 3.07Å; D433-S444 PolarHBondContact O-N 2.02Å; D433-R445 HydrophobicContact CB-CB 4.4Å; D433-R445 PolarHBondContact N-O 3.35Å; D433-R445 IonicContact OD2-CZ 3.12Å; D433-R445 IonicContact OD2-NE 3.8Å; D433-R445 IonicContact OD2-NH2 3.91Å; D433-R445 PolarHBondContact OD2-NH2 3.03Å; D433-F447 HydrophobicContact CB-CD2 4.37Å; D433-F447 HydrophobicContact CB-CE2 3.99Å; D433-V511 HydrophobicContact CB-CB 4.25Å; D433-V511 HydrophobicContact CB-CG2 4.03Å; D433-R513 IonicContact OD1-CZ 3.68Å; D433-R513 IonicContact OD1-NE 3.25Å; D433-R513 PolarHBondContact OD1-NE 2.66Å; D433-R513 IonicContact OD1-NH2 2.74Å; D433-R513 PolarHBondContact OD1-NH2 3.21Å; D433-R513 VanDerWaalsContact OD1-NH2 3.11Å; D433-R513 IonicContact OD2-CZ 3.07Å; D433-R513 IonicContact OD2-NE 3.55Å; D433-R513 IonicContact OD2-NH2 3.5Å; D433-R513 PolarHBondContact OD2-NH2 2.9Å
434	R	94.6	Very high	93.9	Very high	88 Å²	88	42.8 Å²	42.8	33%	0.332	22%	0.218	S	C	.	.			trans	-63.8	-13.9	175.8	-59.9	175.4	86	140.3	-16.5	112.2	V432 R513 E577 D578 E579	V432-R434 PolarHBondContact O-N 2.86Å; V432-R434 VanDerWaalsContact O-N 3.13Å; R434-R513 HydrophobicContact CB-CB 4.3Å; R434-R513 HydrophobicContact CB-CG 4.19Å; R434-E577 VanDerWaalsContact CD-OE1 3.31Å; R434-E577 WeakPolarHBondContact CD-OE1 3.32Å; R434-E577 IonicContact CZ-OE1 3.33Å; R434-E577 IonicContact NE-OE1 3.5Å; R434-E577 IonicContact NH1-OE1 3.87Å; R434-E577 PolarHBondContact NH1-OE1 3.07Å; R434-D578 PolarHBondContact NH1-O 3.3Å; R434-E579 PolarHBondContact NH2-O 3.21Å
435	G	94.2	Very high	93.9	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.031	23%	0.228	C	C	.	.			trans	79	162.4	-174.8	0	0	0	0	0	112.4	D433 E441 R513	D433-G435 PolarHBondContact O-N 2.47Å; D433-G435 VanDerWaalsContact O-N 3.12Å; D433-G435 WeakPolarHBondContact OD1-CA 3.42Å; D433-G435 PolarHBondContact OD1-N 2.75Å; G435-E441 CarbonylContact C-O 3.45Å; G435-E441 WeakPolarHBondContact CA-O 3.44Å; G435-R513 WeakPolarHBondContact O-CD 3.4Å
436	D	90.8	Very high	94	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.128	23%	0.227	C	C	.	.			trans	-55.2	131.9	175.6	179.1	-95.1	0	0	0	110.6	H438 T439 K440 E441 N521	D436-H438 PolarHBondContact O-N 2.83Å; D436-H438 PolarHBondContact OD1-N 2.91Å; D436-T439 WeakPolarHBondContact CB-OG1 3.3Å; D436-T439 PolarHBondContact OD1-N 3Å; D436-T439 PolarHBondContact OD1-OG1 3.37Å; D436-T439 VanDerWaalsContact OD1-OG1 3.04Å; D436-K440 WeakPolarHBondContact O-CA 3.35Å; D436-K440 PolarHBondContact O-N 2.96Å; D436-E441 HydrophobicContact CB-CB 4.34Å; D436-E441 PolarHBondContact N-O 3.15Å; D436-N521 PolarHBondContact OD2-ND2 3.27Å
437	P	83.9	Confident	94.1	Very high	63 Å²	63	45 Å²	45	41%	0.409	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.5	-174.4	-29.3	35.7	0	0	0	114.1	K440	P437-K440 PolarHBondContact O-NZ 3.09Å
438	H	85.1	Confident	94.3	Very high	146 Å²	146	45 Å²	45	68%	0.676	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-51.3	-176.3	-61.6	-65.7	0	0	0	112.8	D436	D436-H438 PolarHBondContact O-N 2.83Å; D436-H438 PolarHBondContact OD1-N 2.91Å
439	T	91	Very high	94.4	Very high	95 Å²	95	43.4 Å²	43.4	58%	0.583	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-17.3	-173	63.5	0	0	0	0	113.2	D436 E441	D436-T439 WeakPolarHBondContact CB-OG1 3.3Å; D436-T439 PolarHBondContact OD1-N 3Å; D436-T439 PolarHBondContact OD1-OG1 3.37Å; D436-T439 VanDerWaalsContact OD1-OG1 3.04Å; T439-E441 PolarHBondContact O-N 3.28Å; T439-E441 WeakPolarHBondContact OG1-CB 3.46Å; T439-E441 PolarHBondContact OG1-N 3.44Å
440	K	92.2	Very high	94.5	Very high	117 Å²	117	43.2 Å²	43.2	51%	0.509	22%	0.219	S	C	.	.			trans	62	13.3	-170.6	-49.6	-54.5	-178	-163.7	0	113.9	D436 P437 G442 K443	D436-K440 WeakPolarHBondContact O-CA 3.35Å; D436-K440 PolarHBondContact O-N 2.96Å; P437-K440 PolarHBondContact O-NZ 3.09Å; K440-G442 PolarHBondContact O-N 3.31Å; K440-K443 WeakPolarHBondContact O-CB 3.37Å; K440-K443 PolarHBondContact O-N 3.24Å
441	E	91.5	Very high	94.4	Very high	104 Å²	104	43.9 Å²	43.9	49%	0.486	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	135.4	176	-177.5	174.5	-158.8	0	0	111.1	G435 D436 T439 K443 R513 T541	G435-E441 CarbonylContact C-O 3.45Å; G435-E441 WeakPolarHBondContact CA-O 3.44Å; D436-E441 HydrophobicContact CB-CB 4.34Å; D436-E441 PolarHBondContact N-O 3.15Å; T439-E441 PolarHBondContact O-N 3.28Å; T439-E441 WeakPolarHBondContact OG1-CB 3.46Å; T439-E441 PolarHBondContact OG1-N 3.44Å; E441-K443 VanDerWaalsContact C-N 3.26Å; E441-K443 PolarHBondContact O-N 2.97Å; E441-R513 PolarHBondContact O-NH2 3.04Å; E441-T541 WeakPolarHBondContact OE1-CG2 3.34Å
442	G	91.9	Very high	94.3	Very high	15 Å²	15	44.1 Å²	44.1	16%	0.155	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-7.8	-179.5	0	0	0	0	0	115.4	D433 K440 R445	D433-G442 WeakPolarHBondContact CB-O 3.17Å; D433-G442 VanDerWaalsContact CG-O 3.3Å; D433-G442 WeakPolarHBondContact OD2-CA 3.15Å; D433-G442 VanDerWaalsContact OD2-O 3.09Å; K440-G442 PolarHBondContact O-N 3.31Å; G442-R445 WeakPolarHBondContact O-CG 3.28Å; G442-R445 PolarHBondContact O-N 3.39Å; G442-R445 PolarHBondContact O-NE 3.17Å; G442-R445 VanDerWaalsContact O-NE 3.1Å
443	K	95.3	Very high	94	Very high	93 Å²	93	44.1 Å²	44.1	40%	0.404	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	143.4	-178.3	-174.3	168.9	172	175.2	0	112.4	D353 D433 K440 E441 R445	D353-K443 WeakPolarHBondContact OD1-CE 3.36Å; D353-K443 IonicContact OD1-NZ 2.82Å; D353-K443 PolarHBondContact OD1-NZ 3.29Å; D353-K443 WeakPolarHBondContact OD2-CE 3.11Å; D353-K443 WeakPolarHBondContact OD2-CG 3.36Å; D353-K443 IonicContact OD2-NZ 3.86Å; D433-K443 CarbonylContact O-C 3.54Å; D433-K443 WeakPolarHBondContact O-CA 3.07Å; K440-K443 WeakPolarHBondContact O-CB 3.37Å; K440-K443 PolarHBondContact O-N 3.24Å; E441-K443 VanDerWaalsContact C-N 3.26Å; E441-K443 PolarHBondContact O-N 2.97Å; K443-R445 PolarHBondContact O-N 2.88Å
444	S	95.3	Very high	93.6	Very high	62 Å²	62	49 Å²	49	43%	0.434	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-1.4	176.3	-42.6	0	0	0	0	116.1	D353 D433	D353-S444 VanDerWaalsContact CB-OG 3.29Å; D353-S444 WeakPolarHBondContact CB-OG 3.45Å; D353-S444 WeakPolarHBondContact OD2-CB 3.33Å; D353-S444 PolarHBondContact OD2-N 2.98Å; D353-S444 PolarHBondContact OD2-OG 2.88Å; D433-S444 PolarHBondContact O-N 2.02Å
445	R	97	Very high	93.4	Very high	60 Å²	60	49.1 Å²	49.1	23%	0.226	25%	0.253	C	S	.	.			trans	-71.9	134.7	172.1	-65.3	-176.3	-59.4	176.6	1.5	109.9	V432 D433 G442 K443 F447 I461 E539	V432-R445 WeakPolarHBondContact CA-O 3.49Å; D433-R445 HydrophobicContact CB-CB 4.4Å; D433-R445 PolarHBondContact N-O 3.35Å; D433-R445 IonicContact OD2-CZ 3.12Å; D433-R445 IonicContact OD2-NE 3.8Å; D433-R445 IonicContact OD2-NH2 3.91Å; D433-R445 PolarHBondContact OD2-NH2 3.03Å; G442-R445 WeakPolarHBondContact O-CG 3.28Å; G442-R445 PolarHBondContact O-N 3.39Å; G442-R445 PolarHBondContact O-NE 3.17Å; G442-R445 VanDerWaalsContact O-NE 3.1Å; K443-R445 PolarHBondContact O-N 2.88Å; R445-F447 HydrophobicContact CB-CD2 4.41Å; R445-F447 HydrophobicContact CB-CE2 3.79Å; R445-I461 HydrophobicContact CB-CG2 4.31Å; R445-E539 IonicContact CZ-OE2 3.77Å; R445-E539 IonicContact NH1-OE1 3.82Å; R445-E539 IonicContact NH1-OE2 2.74Å; R445-E539 PolarHBondContact NH1-OE2 2.92Å; R445-E539 IonicContact NH2-OE2 2.69Å
446	I	98.4	Very high	93.5	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.8	179.2	-58.8	175.4	0	0	0	108	L350 Y358 F360 C430 S431 V432 I461 I462	L350-I446 HydrophobicContact CD1-CD1 4.42Å; L350-I446 HydrophobicContact CD2-CG2 4.35Å; Y358-I446 HydrophobicContact CD1-CD1 3.99Å; Y358-I446 HydrophobicContact CE1-CD1 3.87Å; Y358-I446 HydrophobicContact CG-CD1 4.42Å; F360-I446 HydrophobicContact CE1-CG2 4.38Å; F360-I446 HydrophobicContact CZ-CG2 3.9Å; C430-I446 HydrophobicContact CB-CG2 4.29Å; S431-I446 CarbonylContact O-C 3.49Å; S431-I446 WeakPolarHBondContact O-CA 3.36Å; V432-I446 HydrophobicContact CG2-CG1 4.32Å; I446-I461 CarbonylContact O-C 3.59Å; I446-I461 VanDerWaalsContact O-CA 3.29Å; I446-I461 WeakPolarHBondContact O-CA 3.43Å; I446-I462 HydrophobicContact CB-CB 4.01Å; I446-I462 HydrophobicContact CB-CG1 4.33Å; I446-I462 HydrophobicContact CG2-CB 4.08Å; I446-I462 HydrophobicContact CG2-CG1 3.93Å; I446-I462 PolarHBondContact O-N 2.86Å
447	F	98.5	Very high	93.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141	175	-70.2	-101.2	0	0	0	109.5	C430 S431 D433 R445 D460 I461 I495 V511 Y524 W546	C430-F447 CarbonylContact C-O 3.47Å; C430-F447 WeakPolarHBondContact CA-O 3.44Å; C430-F447 WeakPolarHBondContact CB-O 3.27Å; S431-F447 PolarHBondContact N-O 2.68Å; S431-F447 PolarHBondContact O-N 3.35Å; D433-F447 HydrophobicContact CB-CD2 4.37Å; D433-F447 HydrophobicContact CB-CE2 3.99Å; R445-F447 HydrophobicContact CB-CD2 4.41Å; R445-F447 HydrophobicContact CB-CE2 3.79Å; F447-D460 CarbonylContact C-O 3.48Å; F447-D460 WeakPolarHBondContact CA-O 3.45Å; F447-I461 HydrophobicContact CD1-CD1 4.42Å; F447-I461 HydrophobicContact CD1-CG1 3.92Å; F447-I461 HydrophobicContact CE1-CD1 3.66Å; F447-I461 HydrophobicContact CE1-CG1 3.67Å; F447-I461 HydrophobicContact CG-CG1 4.48Å; F447-I461 HydrophobicContact CZ-CD1 3.74Å; F447-I461 HydrophobicContact CZ-CG1 4.03Å; F447-I495 HydrophobicContact CD1-CD1 3.96Å; F447-I495 HydrophobicContact CE1-CD1 3.78Å; F447-V511 HydrophobicContact CD2-CG2 3.74Å; F447-V511 HydrophobicContact CE1-CG2 4.47Å; F447-V511 HydrophobicContact CE2-CG2 3.56Å; F447-V511 HydrophobicContact CG-CG2 4.29Å; F447-V511 HydrophobicContact CZ-CG2 3.97Å; F447-Y524 HydrophobicContact CB-CD2 3.86Å; F447-Y524 HydrophobicContact CB-CE2 3.33Å; F447-Y524 HydrophobicContact CD1-CD1 4.47Å; F447-Y524 AromaticContact CD1-CD2 3.82Å; F447-Y524 HydrophobicContact CD1-CD2 3.82Å; F447-Y524 HydrophobicContact CD1-CE2 4.06Å; F447-Y524 HydrophobicContact CD1-CG 4.03Å; F447-Y524 AromaticContact CG-CD2 3.84Å; F447-Y524 HydrophobicContact CG-CD2 3.84Å; F447-Y524 AromaticContact CG-CE2 3.85Å; F447-Y524 HydrophobicContact CG-CE2 3.85Å; F447-W546 AromaticContact CE1-CH2 3.46Å; F447-W546 HydrophobicContact CE1-CH2 3.46Å; F447-W546 VanDerWaalsContact CE1-CH2 3.46Å; F447-W546 AromaticContact CE1-CZ2 3.97Å; F447-W546 HydrophobicContact CE1-CZ2 3.97Å; F447-W546 HydrophobicContact CE1-CZ3 4.2Å; F447-W546 AromaticContact CZ-CH2 3.66Å; F447-W546 HydrophobicContact CZ-CH2 3.66Å; F447-W546 HydrophobicContact CZ-CZ2 4.2Å
448	C	98.4	Very high	94.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.6	178.3	-70.5	0	0	0	0	111.1	F360 M427 C430 V459 D460 I462	F360-C448 WeakPolarHBondContact CE1-SG 3.32Å; M427-C448 HydrophobicContact CE-CB 4.01Å; M427-C448 HydrophobicContact CG-CB 4.19Å; M427-C448 HydrophobicContact SD-CB 3.82Å; C430-C448 HydrophobicContact CB-CB 4.04Å; C430-C448 WeakPolarHBondContact CB-SG 3.49Å; C430-C448 WeakPolarHBondContact SG-CB 3.09Å; C430-C448 CovalentContact SG-SG 2.03Å; C430-C448 PolarHBondContact SG-SG 2.87Å; C448-V459 CarbonylContact O-C 3.58Å; C448-V459 VanDerWaalsContact O-CA 3.27Å; C448-V459 WeakPolarHBondContact O-CA 3.32Å; C448-D460 PolarHBondContact N-O 3.03Å; C448-D460 PolarHBondContact O-N 2.73Å; C448-I462 HydrophobicContact CB-CD1 4.08Å; C448-I462 HydrophobicContact CB-CG1 4.22Å; C448-I462 WeakPolarHBondContact SG-CG1 3.04Å
449	G	98	Very high	95	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.3	158.5	0	0	0	0	0	110.2	M427 W428 R429 E458	M427-G449 WeakPolarHBondContact CA-O 3.41Å; W428-G449 PolarHBondContact N-O 3.06Å; W428-G449 VanDerWaalsContact N-O 3.11Å; R429-G449 PolarHBondContact O-N 3.48Å; G449-E458 WeakPolarHBondContact CA-O 3.42Å
450	D	97.5	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.7	174.3	-163.3	-5.3	0	0	0	110.3	V424 R425 N426 M427 G452 E458 V506	V424-D450 VanDerWaalsContact CA-OD2 3.26Å; V424-D450 WeakPolarHBondContact CA-OD2 3.21Å; V424-D450 WeakPolarHBondContact CB-OD2 3.22Å; R425-D450 WeakPolarHBondContact CB-OD1 3.19Å; R425-D450 PolarHBondContact N-OD1 3.28Å; R425-D450 PolarHBondContact N-OD2 3.17Å; N426-D450 VanDerWaalsContact C-OD1 3.22Å; N426-D450 PolarHBondContact N-OD1 2.69Å; M427-D450 HydrophobicContact CE-CB 4.09Å; M427-D450 HydrophobicContact CG-CB 3.78Å; M427-D450 PolarHBondContact N-OD1 3.01Å; D450-G452 PolarHBondContact O-N 3.18Å; D450-E458 HydrophobicContact CB-CG 3.77Å; D450-E458 PolarHBondContact N-O 2.95Å; D450-E458 PolarHBondContact O-N 3.25Å; D450-V506 WeakPolarHBondContact O-CG1 3.25Å
451	V	96.4	Very high	95.6	Very high	15 Å²	15	32.7 Å²	32.7	9%	0.091	16%	0.163	C	C	.	.			trans	-76.2	124.5	-173.1	177.3	0	0	0	0	110.5	R425 N426 W428 E457 V506	R425-V451 WeakPolarHBondContact CD-O 3.37Å; R425-V451 PolarHBondContact NH1-O 2.93Å; N426-V451 HydrophobicContact CB-CB 4.26Å; N426-V451 PolarHBondContact O-N 2.91Å; W428-V451 HydrophobicContact CB-CG2 4.45Å; V451-E457 VanDerWaalsContact CA-OE2 3.31Å; V451-E457 WeakPolarHBondContact CA-OE2 3.32Å; V451-V506 HydrophobicContact CG2-CG1 4.35Å; V451-V506 VanDerWaalsContact CG2-O 3.31Å; V451-V506 WeakPolarHBondContact CG2-O 3.3Å
452	G	94.2	Very high	95.9	Very high	7 Å²	7	28.1 Å²	28.1	7%	0.072	14%	0.142	C	C	.	.			trans	-67.8	167.3	-179.8	0	0	0	0	0	115	R425 D450 Y456 E457	R425-G452 PolarHBondContact NH1-O 3.33Å; D450-G452 PolarHBondContact O-N 3.18Å; G452-Y456 WeakPolarHBondContact CA-O 3.47Å; G452-E457 PolarHBondContact N-OE1 2.59Å; G452-E457 PolarHBondContact N-OE2 3.41Å
453	Q	92.7	Very high	96.1	Very high	28 Å²	28	32.6 Å²	32.6	13%	0.131	16%	0.158	C	C	.	.	S	Bend	trans	-85.7	-51.7	176.1	-179.8	60.8	70.7	0	0	112.6	G368 R425 W470 E474 Y479	G368-Q453 VanDerWaalsContact N-OE1 3.08Å; R425-Q453 VanDerWaalsContact NH2-CD 3.28Å; Q453-W470 HydrophobicContact CB-CH2 3.58Å; Q453-W470 HydrophobicContact CB-CZ3 3.9Å; Q453-W470 HydrophobicContact CG-CH2 3.98Å; Q453-E474 WeakPolarHBondContact CA-OE1 3.48Å; Q453-E474 PolarHBondContact N-OE1 3.3Å; Q453-Y479 HydrophobicContact CB-CD2 4.39Å; Q453-Y479 HydrophobicContact CB-CE2 4Å; Q453-Y479 HydrophobicContact CG-CD2 4.41Å; Q453-Y479 HydrophobicContact CG-CE2 3.55Å
454	N	89.4	Confident	96.3	Very high	103 Å²	103	32.6 Å²	32.6	55%	0.551	16%	0.159	S	C	*	.	S	Bend	trans	-156.4	-18.1	-172.5	-73.3	-44.3	0	0	0	114.5	E474 H500	N454-E474 PolarHBondContact N-OE1 2.94Å; N454-H500 VanDerWaalsContact C-NE2 3.32Å; N454-H500 WeakPolarHBondContact CA-CE1 3.43Å; N454-H500 PolarHBondContact N-CE1 2.74Å; N454-H500 PolarHBondContact O-ND1 2.82Å
455	K	90.4	Very high	96.4	Very high	91 Å²	91	30.9 Å²	30.9	40%	0.396	15%	0.15	S	C	.	.	S	Bend	trans	-116.8	-47.3	-170.1	-64.6	-179.9	-177.5	169.2	0	113.6	E474 C478 P499 H500	K455-E474 WeakPolarHBondContact CB-OE2 3.47Å; K455-E474 PolarHBondContact N-OE1 3.38Å; K455-C478 PolarHBondContact NZ-O 2.81Å; K455-P499 CarbonylContact O-C 3.52Å; K455-P499 WeakPolarHBondContact O-CA 3.41Å; K455-H500 PolarHBondContact N-NE2 3Å; K455-H500 PolarHBondContact O-CD2 3.41Å; K455-H500 VanDerWaalsContact O-CD2 3.28Å; K455-H500 PolarHBondContact O-N 3.28Å
456	Y	95.2	Very high	96.4	Very high	67 Å²	67	29.1 Å²	29.1	26%	0.263	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.7	-171.4	-68.8	-84.2	0	0	0	111.3	G452 E474 S477 Y498 P499 H500	G452-Y456 WeakPolarHBondContact CA-O 3.47Å; Y456-E474 PolarHBondContact N-OE1 2.69Å; Y456-S477 WeakPolarHBondContact CE2-OG 3.39Å; Y456-Y498 VanDerWaalsContact CA-O 3.31Å; Y456-Y498 WeakPolarHBondContact CA-O 3.01Å; Y456-P499 HydrophobicContact CD1-CB 4.21Å; Y456-P499 HydrophobicContact CE1-CB 3.9Å; Y456-H500 PolarHBondContact N-CD2 3.4Å; Y456-H500 VanDerWaalsContact N-CD2 3.33Å; Y456-H500 PolarHBondContact N-NE2 2.9Å
457	E	96.7	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.4	161.9	-56	-55.5	134	0	0	109.2	V451 G452 A497 Y498 H500 K504 S505 V506	V451-E457 VanDerWaalsContact CA-OE2 3.31Å; V451-E457 WeakPolarHBondContact CA-OE2 3.32Å; G452-E457 PolarHBondContact N-OE1 2.59Å; G452-E457 PolarHBondContact N-OE2 3.41Å; E457-A497 CarbonylContact O-C 3.58Å; E457-A497 WeakPolarHBondContact O-CA 3.16Å; E457-A497 WeakPolarHBondContact O-CB 3.36Å; E457-Y498 HydrophobicContact CB-CD1 4.12Å; E457-Y498 HydrophobicContact CB-CD2 4.14Å; E457-Y498 HydrophobicContact CB-CE1 3.62Å; E457-Y498 HydrophobicContact CB-CE2 3.63Å; E457-Y498 HydrophobicContact CB-CG 4.38Å; E457-Y498 HydrophobicContact CG-CD2 4.35Å; E457-Y498 HydrophobicContact CG-CE1 4.49Å; E457-Y498 HydrophobicContact CG-CE2 3.65Å; E457-Y498 PolarHBondContact N-O 3.43Å; E457-Y498 PolarHBondContact O-N 2.03Å; E457-H500 IonicContact OE1-CD2 3.36Å; E457-H500 IonicContact OE1-CE1 2.73Å; E457-H500 PolarHBondContact OE1-CE1 3.05Å; E457-H500 IonicContact OE1-NE2 2.65Å; E457-H500 PolarHBondContact OE1-NE2 3.2Å; E457-K504 VanDerWaalsContact CD-C 3.44Å; E457-S505 WeakPolarHBondContact OE2-CA 3.4Å; E457-V506 HydrophobicContact CB-CB 3.9Å; E457-V506 HydrophobicContact CB-CG1 3.99Å; E457-V506 HydrophobicContact CG-CB 4.49Å; E457-V506 PolarHBondContact OE2-N 3.15Å
458	E	96.3	Very high	96.2	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.9	-173.5	67.9	-167.8	172.1	0	0	114.9	G449 D450 G475 P494 Y496 A497 V506	G449-E458 WeakPolarHBondContact CA-O 3.42Å; D450-E458 HydrophobicContact CB-CG 3.77Å; D450-E458 PolarHBondContact N-O 2.95Å; D450-E458 PolarHBondContact O-N 3.25Å; E458-G475 WeakPolarHBondContact OE2-CA 3.29Å; E458-G475 PolarHBondContact OE2-N 3.45Å; E458-P494 HydrophobicContact CB-CB 3.74Å; E458-P494 HydrophobicContact CB-CG 3.97Å; E458-P494 HydrophobicContact CG-CB 4.45Å; E458-Y496 WeakPolarHBondContact CA-O 3.28Å; E458-A497 HydrophobicContact CB-CB 4.13Å; E458-V506 WeakPolarHBondContact O-CG1 3.39Å
459	V	98.2	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.5	174.1	178.6	0	0	0	0	108.3	C448 P494 I495 Y496 V506 Y524 F526 L537	C448-V459 CarbonylContact O-C 3.58Å; C448-V459 VanDerWaalsContact O-CA 3.27Å; C448-V459 WeakPolarHBondContact O-CA 3.32Å; V459-P494 CarbonylContact O-C 3.58Å; V459-P494 VanDerWaalsContact O-CB 3.3Å; V459-P494 WeakPolarHBondContact O-CB 3.39Å; V459-I495 HydrophobicContact CB-CG1 4.25Å; V459-I495 HydrophobicContact CG1-CD1 3.9Å; V459-I495 HydrophobicContact CG1-CG1 3.92Å; V459-I495 WeakPolarHBondContact O-CG1 3.38Å; V459-I495 PolarHBondContact O-N 3.22Å; V459-Y496 PolarHBondContact N-O 2.8Å; V459-Y496 PolarHBondContact O-N 3.07Å; V459-V506 HydrophobicContact CG2-CG2 4.21Å; V459-Y524 HydrophobicContact CB-CE1 4.47Å; V459-Y524 HydrophobicContact CG1-CD1 4.09Å; V459-Y524 HydrophobicContact CG1-CE1 3.4Å; V459-Y524 VanDerWaalsContact CG1-CE1 3.4Å; V459-Y524 HydrophobicContact CG2-CE1 4.21Å; V459-F526 HydrophobicContact CG2-CD2 4.05Å; V459-F526 HydrophobicContact CG2-CE2 3.94Å; V459-F526 HydrophobicContact CG2-CZ 4.44Å; V459-L537 HydrophobicContact CB-CD1 4.46Å; V459-L537 HydrophobicContact CG1-CD1 4.31Å
460	D	98.1	Very high	95.9	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.011	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	155	-174.8	-68.3	-72.6	0	0	0	112.5	M427 F447 C448 I462 Y468 P494	M427-D460 HydrophobicContact CE-CB 4.21Å; F447-D460 CarbonylContact C-O 3.48Å; F447-D460 WeakPolarHBondContact CA-O 3.45Å; C448-D460 PolarHBondContact N-O 3.03Å; C448-D460 PolarHBondContact O-N 2.73Å; D460-I462 HydrophobicContact CB-CD1 4.01Å; D460-Y468 HydrophobicContact CB-CD1 3.95Å; D460-Y468 HydrophobicContact CB-CE1 3.85Å; D460-Y468 WeakPolarHBondContact OD1-CD1 2.96Å; D460-P494 WeakPolarHBondContact OD1-CA 3.49Å; D460-P494 WeakPolarHBondContact OD1-CB 3.41Å
461	I	97.8	Very high	95.7	Very high	27 Å²	27	31.7 Å²	31.7	14%	0.138	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.5	162.7	-62.4	177.2	0	0	0	108	R445 I446 F447 Y468 I495 W546	R445-I461 HydrophobicContact CB-CG2 4.31Å; I446-I461 CarbonylContact O-C 3.59Å; I446-I461 VanDerWaalsContact O-CA 3.29Å; I446-I461 WeakPolarHBondContact O-CA 3.43Å; F447-I461 HydrophobicContact CD1-CD1 4.42Å; F447-I461 HydrophobicContact CD1-CG1 3.92Å; F447-I461 HydrophobicContact CE1-CD1 3.66Å; F447-I461 HydrophobicContact CE1-CG1 3.67Å; F447-I461 HydrophobicContact CG-CG1 4.48Å; F447-I461 HydrophobicContact CZ-CD1 3.74Å; F447-I461 HydrophobicContact CZ-CG1 4.03Å; I461-Y468 PolarHBondContact O-OH 3.12Å; I461-I495 HydrophobicContact CD1-CD1 4.23Å; I461-I495 HydrophobicContact CD1-CG2 3.92Å; I461-I495 HydrophobicContact CG1-CD1 4.05Å; I461-I495 HydrophobicContact CG1-CG2 3.95Å; I461-W546 HydrophobicContact CD1-CZ2 3.8Å
462	I	98.1	Very high	95.5	Very high	8 Å²	8	31 Å²	31	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.3	-172.9	-47.7	-55	0	0	0	111.4	F360 V387 Y420 A421 M427 I446 C448 D460 Y468	F360-I462 HydrophobicContact CE1-CG1 4.22Å; V387-I462 HydrophobicContact CB-CG2 4.31Å; V387-I462 HydrophobicContact CG1-CG2 4.24Å; V387-I462 HydrophobicContact CG2-CG2 3.89Å; Y420-I462 HydrophobicContact CD1-CG2 4.35Å; Y420-I462 HydrophobicContact CE1-CG2 4.22Å; A421-I462 HydrophobicContact CB-CG2 4.15Å; M427-I462 HydrophobicContact CE-CD1 3.37Å; M427-I462 HydrophobicContact SD-CD1 3.82Å; I446-I462 HydrophobicContact CB-CB 4.01Å; I446-I462 HydrophobicContact CB-CG1 4.33Å; I446-I462 HydrophobicContact CG2-CB 4.08Å; I446-I462 HydrophobicContact CG2-CG1 3.93Å; I446-I462 PolarHBondContact O-N 2.86Å; C448-I462 HydrophobicContact CB-CD1 4.08Å; C448-I462 HydrophobicContact CB-CG1 4.22Å; C448-I462 WeakPolarHBondContact SG-CG1 3.04Å; D460-I462 HydrophobicContact CB-CD1 4.01Å; I462-Y468 WeakPolarHBondContact CA-OH 3.04Å; I462-Y468 HydrophobicContact CD1-CE1 4.16Å; I462-Y468 HydrophobicContact CD1-CE2 4.07Å; I462-Y468 HydrophobicContact CG2-CE2 4.44Å
463	E	97.3	Very high	95.4	Very high	108 Å²	108	32.9 Å²	32.9	51%	0.505	16%	0.159	S	C	.	.			trans	-126.5	152.9	-176.8	-67.4	-169.1	147.8	0	0	111.7	G465 C466 Y468	E463-G465 PolarHBondContact O-N 2.84Å; E463-C466 HydrophobicContact CB-CB 4.28Å; E463-C466 VanDerWaalsContact CB-SG 3.58Å; E463-C466 PolarHBondContact O-N 2.84Å; E463-Y468 PolarHBondContact N-OH 3.34Å
464	K	97.7	Very high	95.3	Very high	94 Å²	94	31.6 Å²	31.6	41%	0.409	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	121.5	-174.5	-176.1	172.7	175.9	172	0	111.9	D406 P408 Y420 C466	D406-K464 WeakPolarHBondContact O-CE 3.37Å; D406-K464 PolarHBondContact O-NZ 2.82Å; D406-K464 IonicContact OD2-NZ 2.76Å; D406-K464 PolarHBondContact OD2-NZ 2.9Å; P408-K464 HydrophobicContact CB-CG 4.18Å; P408-K464 HydrophobicContact CG-CG 4.12Å; Y420-K464 HydrophobicContact CD2-CB 4.48Å; Y420-K464 HydrophobicContact CD2-CG 4.2Å; Y420-K464 HydrophobicContact CE1-CB 4.36Å; Y420-K464 HydrophobicContact CE2-CB 3.64Å; Y420-K464 HydrophobicContact CE2-CD 4.11Å; Y420-K464 HydrophobicContact CE2-CG 3.65Å; Y420-K464 VanDerWaalsContact CZ-CA 3.48Å; Y420-K464 WeakPolarHBondContact OH-CB 3.41Å; Y420-K464 PolarHBondContact OH-N 3.43Å; K464-C466 PolarHBondContact O-N 2.98Å
465	G	97.4	Very high	95.3	Very high	25 Å²	25	26.8 Å²	26.8	26%	0.258	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	3.5	175	0	0	0	0	0	114.2	Y420 E463	Y420-G465 WeakPolarHBondContact O-CA 3.38Å; Y420-G465 PolarHBondContact O-N 3.3Å; E463-G465 PolarHBondContact O-N 2.84Å
466	C	97.4	Very high	95.3	Very high	23 Å²	23	27.9 Å²	27.9	16%	0.155	13%	0.132	C	C	.	.			trans	-75.5	151.7	-177.1	-70.2	0	0	0	0	112.4	Y422 E463 K464 Y468 V492	Y422-C466 WeakPolarHBondContact CD1-O 2.99Å; Y422-C466 PolarHBondContact N-O 2.93Å; Y422-C466 VanDerWaalsContact N-O 3.11Å; E463-C466 HydrophobicContact CB-CB 4.28Å; E463-C466 VanDerWaalsContact CB-SG 3.58Å; E463-C466 PolarHBondContact O-N 2.84Å; K464-C466 PolarHBondContact O-N 2.98Å; C466-Y468 HydrophobicContact CB-CE2 4.01Å; C466-V492 HydrophobicContact CB-CG2 3.74Å
467	N	97	Very high	95	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.011	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-108.4	121.7	175	-174.9	0.3	0	0	0	108.5	Q378 Y422 G469 L489 D491 V492	Q378-N467 PolarHBondContact NE2-OD1 3.11Å; Q378-N467 PolarHBondContact OE1-ND2 2.82Å; Q378-N467 VanDerWaalsContact OE1-ND2 3.1Å; Y422-N467 HydrophobicContact CD1-CB 4.47Å; Y422-N467 HydrophobicContact CD2-CB 4.47Å; Y422-N467 HydrophobicContact CE1-CB 3.83Å; Y422-N467 HydrophobicContact CE2-CB 3.84Å; Y422-N467 WeakPolarHBondContact CE2-ND2 2.94Å; Y422-N467 VanDerWaalsContact CZ-CB 3.48Å; Y422-N467 CarbonylContact O-C 3.58Å; Y422-N467 WeakPolarHBondContact O-CA 3.42Å; Y422-N467 PolarHBondContact OH-ND2 3.22Å; N467-G469 VanDerWaalsContact C-N 3.27Å; N467-G469 PolarHBondContact O-N 2.89Å; N467-G469 PolarHBondContact OD1-N 3.32Å; N467-L489 PolarHBondContact ND2-O 2.99Å; N467-D491 CarbonylContact O-C 3.58Å; N467-D491 WeakPolarHBondContact O-CA 3.46Å; N467-V492 PolarHBondContact O-N 3.1Å
468	Y	96.5	Very high	94.8	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.027	15%	0.148	C	C	.	.			trans	-90.3	6.7	179.1	-66.5	-83.9	0	0	0	112.9	A421 Y422 G423 V424 D460 I461 I462 E463 C466 W470 V492	A421-Y468 HydrophobicContact CB-CD2 4.47Å; A421-Y468 HydrophobicContact CB-CE2 3.88Å; Y422-Y468 PolarHBondContact O-N 3.02Å; G423-Y468 CarbonylContact O-C 3.36Å; G423-Y468 WeakPolarHBondContact O-CA 3.22Å; G423-Y468 VanDerWaalsContact O-CB 3.28Å; G423-Y468 WeakPolarHBondContact O-CB 3.36Å; V424-Y468 HydrophobicContact CG1-CD2 3.74Å; V424-Y468 HydrophobicContact CG1-CG 3.98Å; D460-Y468 HydrophobicContact CB-CD1 3.95Å; D460-Y468 HydrophobicContact CB-CE1 3.85Å; D460-Y468 WeakPolarHBondContact OD1-CD1 2.96Å; I461-Y468 PolarHBondContact O-OH 3.12Å; I462-Y468 WeakPolarHBondContact CA-OH 3.04Å; I462-Y468 HydrophobicContact CD1-CE1 4.16Å; I462-Y468 HydrophobicContact CD1-CE2 4.07Å; I462-Y468 HydrophobicContact CG2-CE2 4.44Å; E463-Y468 PolarHBondContact N-OH 3.34Å; C466-Y468 HydrophobicContact CB-CE2 4.01Å; Y468-W470 VanDerWaalsContact C-N 3.32Å; Y468-W470 PolarHBondContact O-N 3.35Å; Y468-V492 HydrophobicContact CE1-CB 4.32Å; Y468-V492 HydrophobicContact CE1-CG1 4.38Å
469	G	94.4	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.			trans	86.5	-18.9	163.1	0	0	0	0	0	115.7	G423 N467 A472 K473	G423-G469 PolarHBondContact O-N 2.74Å; N467-G469 VanDerWaalsContact C-N 3.27Å; N467-G469 PolarHBondContact O-N 2.89Å; N467-G469 PolarHBondContact OD1-N 3.32Å; G469-A472 WeakPolarHBondContact O-CA 3.13Å; G469-A472 WeakPolarHBondContact O-CB 3.08Å; G469-A472 PolarHBondContact O-N 3.29Å; G469-K473 PolarHBondContact O-N 3.1Å
470	W	95.7	Very high	94.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	134.5	175.2	-179	-107	0	0	0	111.1	D363 A377 Q378 G423 R425 Q453 Y468 E474 Y479	D363-W470 PolarHBondContact OD2-NE1 3.26Å; A377-W470 VanDerWaalsContact CB-CD1 3.49Å; A377-W470 HydrophobicContact CB-CG 4.36Å; A377-W470 VanDerWaalsContact CB-O 3.29Å; A377-W470 WeakPolarHBondContact CB-O 3Å; Q378-W470 WeakPolarHBondContact CG-O 3.29Å; Q378-W470 PolarHBondContact NE2-O 3.17Å; G423-W470 WeakPolarHBondContact CA-O 3.27Å; G423-W470 WeakPolarHBondContact O-CA 3.1Å; G423-W470 VanDerWaalsContact O-CB 3.23Å; G423-W470 WeakPolarHBondContact O-CB 3.47Å; G423-W470 PolarHBondContact O-N 2.85Å; R425-W470 VanDerWaalsContact CA-CD1 3.43Å; R425-W470 HydrophobicContact CB-CB 4.2Å; R425-W470 HydrophobicContact CB-CD2 3.7Å; R425-W470 HydrophobicContact CB-CE3 4.38Å; R425-W470 HydrophobicContact CB-CG 3.57Å; R425-W470 HydrophobicContact CG-CD2 3.85Å; R425-W470 HydrophobicContact CG-CE3 4.46Å; R425-W470 HydrophobicContact CG-CG 4.16Å; R425-W470 HydrophobicContact CG-CZ2 3.96Å; Q453-W470 HydrophobicContact CB-CH2 3.58Å; Q453-W470 HydrophobicContact CB-CZ3 3.9Å; Q453-W470 HydrophobicContact CG-CH2 3.98Å; Y468-W470 VanDerWaalsContact C-N 3.32Å; Y468-W470 PolarHBondContact O-N 3.35Å; W470-E474 HydrophobicContact CZ3-CB 4.33Å; W470-Y479 AromaticContact CH2-CD1 4Å; W470-Y479 HydrophobicContact CH2-CD1 4Å; W470-Y479 HydrophobicContact CH2-CD2 4.33Å; W470-Y479 AromaticContact CH2-CE1 3.94Å; W470-Y479 HydrophobicContact CH2-CE1 3.94Å; W470-Y479 HydrophobicContact CH2-CE2 4.29Å; W470-Y479 HydrophobicContact CH2-CG 4.2Å; W470-Y479 AromaticContact CZ3-CD1 3.97Å; W470-Y479 HydrophobicContact CZ3-CD1 3.97Å; W470-Y479 HydrophobicContact CZ3-CD2 4.1Å; W470-Y479 HydrophobicContact CZ3-CE1 4.38Å; W470-Y479 AromaticContact CZ3-CG 3.82Å; W470-Y479 HydrophobicContact CZ3-CG 3.82Å
471	R	92.9	Very high	93.8	Very high	49 Å²	49	40 Å²	40	19%	0.185	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.1	11.7	6.1	61.1	170.3	-88.5	-171.7	-3.8	116.5	G368 D369 Y479 D480 L483	G368-R471 WeakPolarHBondContact O-CD 3.39Å; G368-R471 PolarHBondContact O-NE 3.24Å; G368-R471 PolarHBondContact O-NH1 3.17Å; D369-R471 HydrophobicContact CB-CB 4.25Å; D369-R471 HydrophobicContact CB-CG 4.43Å; D369-R471 WeakPolarHBondContact O-CD 3.3Å; D369-R471 PolarHBondContact O-NH1 3.02Å; R471-Y479 WeakPolarHBondContact O-CD1 3.44Å; R471-D480 IonicContact CZ-OD2 2.74Å; R471-D480 IonicContact NE-OD2 3.86Å; R471-D480 IonicContact NH2-OD2 3.03Å; R471-D480 PolarHBondContact NH2-OD2 3.48Å; R471-L483 HydrophobicContact CG-CD1 4.07Å
472	A	92.6	Very high	93.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-39.5	178.8	0	0	0	0	0	111.8	G469 Y479 D480 L483 L489	G469-A472 WeakPolarHBondContact O-CA 3.13Å; G469-A472 WeakPolarHBondContact O-CB 3.08Å; G469-A472 PolarHBondContact O-N 3.29Å; A472-Y479 PolarHBondContact O-N 2.83Å; A472-D480 PolarHBondContact O-N 3.04Å; A472-L483 HydrophobicContact CB-CB 3.83Å; A472-L489 HydrophobicContact CB-CD1 3.34Å; A472-L489 HydrophobicContact CB-CD2 4.31Å; A472-L489 HydrophobicContact CB-CG 4.44Å
473	K	91.5	Very high	92.8	Very high	45 Å²	45	47.7 Å²	47.7	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	158.3	177.1	-69.8	-176.9	-178.4	173	0	111.7	G469 S477 D491	G469-K473 PolarHBondContact O-N 3.1Å; K473-S477 WeakPolarHBondContact CA-O 3.15Å; K473-D491 WeakPolarHBondContact CD-OD2 3.31Å; K473-D491 WeakPolarHBondContact CE-OD2 3.47Å; K473-D491 IonicContact NZ-OD1 2.8Å; K473-D491 PolarHBondContact NZ-OD1 2.04Å; K473-D491 IonicContact NZ-OD2 3.71Å; K473-D491 PolarHBondContact NZ-OD2 2.89Å
474	E	91.1	Very high	92.3	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	110.2	175.8	176	-171.1	-164	0	0	106.3	Q453 N454 K455 Y456 W470 F476 S477	Q453-E474 WeakPolarHBondContact CA-OE1 3.48Å; Q453-E474 PolarHBondContact N-OE1 3.3Å; N454-E474 PolarHBondContact N-OE1 2.94Å; K455-E474 WeakPolarHBondContact CB-OE2 3.47Å; K455-E474 PolarHBondContact N-OE1 3.38Å; Y456-E474 PolarHBondContact N-OE1 2.69Å; W470-E474 HydrophobicContact CZ3-CB 4.33Å; E474-F476 PolarHBondContact O-N 2.9Å; E474-S477 PolarHBondContact N-O 3.18Å; E474-S477 PolarHBondContact O-N 3.04Å; E474-S477 VanDerWaalsContact O-N 3.09Å
475	G	90.1	Very high	91.6	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-137.9	-165.2	0	0	0	0	0	111.5	E458 S477	E458-G475 WeakPolarHBondContact OE2-CA 3.29Å; E458-G475 PolarHBondContact OE2-N 3.45Å; G475-S477 PolarHBondContact O-N 3.39Å
476	F	88.8	Confident	90.2	Very high	113 Å²	113	50 Å²	50	50%	0.496	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	5.7	176.7	-54	-63.8	0	0	0	114.3	E474 L493 P494 A497	E474-F476 PolarHBondContact O-N 2.9Å; F476-L493 HydrophobicContact CD1-CB 4.46Å; F476-L493 HydrophobicContact CD1-CD1 4.42Å; F476-L493 HydrophobicContact CD1-CD2 4.41Å; F476-L493 HydrophobicContact CE1-CB 4.25Å; F476-P494 HydrophobicContact CD1-CG 4.4Å; F476-P494 HydrophobicContact CE1-CG 3.93Å; F476-P494 HydrophobicContact CZ-CG 4.12Å; F476-A497 HydrophobicContact CD2-CB 3.89Å; F476-A497 HydrophobicContact CE2-CB 3.57Å; F476-A497 HydrophobicContact CZ-CB 4.19Å
477	S	89.9	Confident	88.5	Confident	34 Å²	34	50.7 Å²	50.7	24%	0.238	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.4	-171	-71.1	0	0	0	0	113.1	Y456 K473 E474 G475 Y479	Y456-S477 WeakPolarHBondContact CE2-OG 3.39Å; K473-S477 WeakPolarHBondContact CA-O 3.15Å; E474-S477 PolarHBondContact N-O 3.18Å; E474-S477 PolarHBondContact O-N 3.04Å; E474-S477 VanDerWaalsContact O-N 3.09Å; G475-S477 PolarHBondContact O-N 3.39Å; S477-Y479 PolarHBondContact O-N 3.31Å
478	C	91.4	Very high	87.2	Confident	52 Å²	52	56.8 Å²	56.8	35%	0.351	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	124.7	167.2	-64.5	0	0	0	0	110.2	K455 C484	K455-C478 PolarHBondContact NZ-O 2.81Å; C478-C484 HydrophobicContact CB-CB 3.55Å; C478-C484 WeakPolarHBondContact CB-SG 3.37Å; C478-C484 WeakPolarHBondContact SG-CB 3.2Å; C478-C484 CovalentContact SG-SG 2.05Å; C478-C484 PolarHBondContact SG-SG 3.48Å
479	Y	91.8	Very high	86	Confident	61 Å²	61	57.3 Å²	57.3	24%	0.239	30%	0.301	C	S	.	.	S	Bend	trans	-86.5	-69.2	169	177.3	-94.9	0	0	0	109.2	G368 Q453 W470 R471 A472 S477 K481	G368-Y479 WeakPolarHBondContact CA-OH 3.16Å; Q453-Y479 HydrophobicContact CB-CD2 4.39Å; Q453-Y479 HydrophobicContact CB-CE2 4Å; Q453-Y479 HydrophobicContact CG-CD2 4.41Å; Q453-Y479 HydrophobicContact CG-CE2 3.55Å; W470-Y479 AromaticContact CH2-CD1 4Å; W470-Y479 HydrophobicContact CH2-CD1 4Å; W470-Y479 HydrophobicContact CH2-CD2 4.33Å; W470-Y479 AromaticContact CH2-CE1 3.94Å; W470-Y479 HydrophobicContact CH2-CE1 3.94Å; W470-Y479 HydrophobicContact CH2-CE2 4.29Å; W470-Y479 HydrophobicContact CH2-CG 4.2Å; W470-Y479 AromaticContact CZ3-CD1 3.97Å; W470-Y479 HydrophobicContact CZ3-CD1 3.97Å; W470-Y479 HydrophobicContact CZ3-CD2 4.1Å; W470-Y479 HydrophobicContact CZ3-CE1 4.38Å; W470-Y479 AromaticContact CZ3-CG 3.82Å; W470-Y479 HydrophobicContact CZ3-CG 3.82Å; R471-Y479 WeakPolarHBondContact O-CD1 3.44Å; A472-Y479 PolarHBondContact O-N 2.83Å; S477-Y479 PolarHBondContact O-N 3.31Å; Y479-K481 PolarHBondContact O-N 2.86Å
480	D	91.1	Very high	85.6	Confident	31 Å²	31	64.3 Å²	64.3	17%	0.166	34%	0.338	C	S	.	.	S	Bend	trans	-86.2	97.3	173.4	-170.5	-38.4	0	0	0	109.9	R471 A472 K482 L483 C484	R471-D480 IonicContact CZ-OD2 2.74Å; R471-D480 IonicContact NE-OD2 3.86Å; R471-D480 IonicContact NH2-OD2 3.03Å; R471-D480 PolarHBondContact NH2-OD2 3.48Å; A472-D480 PolarHBondContact O-N 3.04Å; D480-K482 PolarHBondContact O-N 3.19Å; D480-K482 WeakPolarHBondContact OD1-CB 3.27Å; D480-K482 PolarHBondContact OD1-N 3.09Å; D480-L483 HydrophobicContact CB-CB 4.02Å; D480-L483 HydrophobicContact CB-CD1 3.94Å; D480-L483 HydrophobicContact CB-CG 4.34Å; D480-L483 PolarHBondContact O-N 3.06Å; D480-L483 PolarHBondContact OD1-N 3.4Å; D480-C484 VanDerWaalsContact O-CB 3.22Å; D480-C484 WeakPolarHBondContact O-CB 3.37Å; D480-C484 PolarHBondContact O-N 2.85Å
481	K	89.1	Confident	85.3	Confident	155 Å²	155	66 Å²	66	67%	0.674	35%	0.347	S	S	*	.	H	α-helix	trans	-57.6	-31.9	-178.7	-64.9	-177.8	179.9	179.7	0	113.2	Y479 T485	Y479-K481 PolarHBondContact O-N 2.86Å; K481-T485 VanDerWaalsContact O-CB 3.32Å; K481-T485 WeakPolarHBondContact O-CB 3.32Å; K481-T485 PolarHBondContact O-N 3.35Å; K481-T485 VanDerWaalsContact O-N 3.1Å; K481-T485 PolarHBondContact O-OG1 3.22Å
482	K	87.5	Confident	85.4	Confident	168 Å²	168	65.9 Å²	65.9	73%	0.73	35%	0.352	S	S	*	.	H	α-helix	trans	-73.9	-43.3	-178.5	-68.2	-179.1	-178.9	175.4	0	110.7	D480 N486	D480-K482 PolarHBondContact O-N 3.19Å; D480-K482 WeakPolarHBondContact OD1-CB 3.27Å; D480-K482 PolarHBondContact OD1-N 3.09Å; K482-N486 VanDerWaalsContact O-CB 3.32Å; K482-N486 WeakPolarHBondContact O-CB 3.08Å; K482-N486 PolarHBondContact O-N 3.13Å; K482-N486 PolarHBondContact O-ND2 3.34Å; K482-N486 VanDerWaalsContact O-ND2 3.16Å
483	L	86.9	Confident	85.3	Confident	27 Å²	27	70.2 Å²	70.2	14%	0.141	38%	0.375	C	S	.	.	H	α-helix	trans	-62.8	-61.3	171.7	-77.7	166.6	0	0	0	109	H374 R471 A472 D480 T485 N486 S487	H374-L483 VanDerWaalsContact ND1-CD2 3.34Å; H374-L483 WeakPolarHBondContact ND1-CD2 3.46Å; R471-L483 HydrophobicContact CG-CD1 4.07Å; A472-L483 HydrophobicContact CB-CB 3.83Å; D480-L483 HydrophobicContact CB-CB 4.02Å; D480-L483 HydrophobicContact CB-CD1 3.94Å; D480-L483 HydrophobicContact CB-CG 4.34Å; D480-L483 PolarHBondContact O-N 3.06Å; D480-L483 PolarHBondContact OD1-N 3.4Å; L483-T485 VanDerWaalsContact C-N 3.26Å; L483-T485 PolarHBondContact O-N 3.27Å; L483-N486 PolarHBondContact O-N 3.2Å; L483-S487 VanDerWaalsContact C-OG 3.31Å; L483-S487 WeakPolarHBondContact O-CB 2.77Å; L483-S487 PolarHBondContact O-N 3.17Å; L483-S487 PolarHBondContact O-OG 3Å
484	C	86.9	Confident	85.5	Confident	20 Å²	20	68.5 Å²	68.5	14%	0.135	37%	0.368	C	S	.	.	H	α-helix	trans	-50	-39	-174.8	-159.3	0	0	0	0	114.3	C478 D480	C478-C484 HydrophobicContact CB-CB 3.55Å; C478-C484 WeakPolarHBondContact CB-SG 3.37Å; C478-C484 WeakPolarHBondContact SG-CB 3.2Å; C478-C484 CovalentContact SG-SG 2.05Å; C478-C484 PolarHBondContact SG-SG 3.48Å; D480-C484 VanDerWaalsContact O-CB 3.22Å; D480-C484 WeakPolarHBondContact O-CB 3.37Å; D480-C484 PolarHBondContact O-N 2.85Å
485	T	83.4	Confident	85.7	Confident	115 Å²	115	70.3 Å²	70.3	71%	0.706	38%	0.378	S	S	*	.	H	α-helix	trans	-78.7	-32.5	180	-48.5	0	0	0	0	113	K481 L483	K481-T485 VanDerWaalsContact O-CB 3.32Å; K481-T485 WeakPolarHBondContact O-CB 3.32Å; K481-T485 PolarHBondContact O-N 3.35Å; K481-T485 VanDerWaalsContact O-N 3.1Å; K481-T485 PolarHBondContact O-OG1 3.22Å; L483-T485 VanDerWaalsContact C-N 3.26Å; L483-T485 PolarHBondContact O-N 3.27Å
486	N	68.1	Low	86.1	Confident	142 Å²	142	72.1 Å²	72.1	76%	0.759	38%	0.384	S	S	*	.	H	α-helix	trans	-96.8	-8.6	-173.3	-71.4	-28.9	0	0	0	113.9	K482 L483	K482-N486 VanDerWaalsContact O-CB 3.32Å; K482-N486 WeakPolarHBondContact O-CB 3.08Å; K482-N486 PolarHBondContact O-N 3.13Å; K482-N486 PolarHBondContact O-ND2 3.34Å; K482-N486 VanDerWaalsContact O-ND2 3.16Å; L483-N486 PolarHBondContact O-N 3.2Å
487	S	62.6	Low	86.4	Confident	36 Å²	36	67.4 Å²	67.4	25%	0.252	37%	0.366	S	S	.	.			trans	-109	123.3	-173.8	56.2	0	0	0	0	112.1	L483 L489	L483-S487 VanDerWaalsContact C-OG 3.31Å; L483-S487 WeakPolarHBondContact O-CB 2.77Å; L483-S487 PolarHBondContact O-N 3.17Å; L483-S487 PolarHBondContact O-OG 3Å; S487-L489 PolarHBondContact O-N 2.86Å; S487-L489 VanDerWaalsContact OG-CD1 3.26Å; S487-L489 WeakPolarHBondContact OG-CD1 3.34Å; S487-L489 WeakPolarHBondContact OG-CD2 3.32Å; S487-L489 WeakPolarHBondContact OG-CG 3.2Å
488	S	68.1	Low	86.7	Confident	130 Å²	130	65.9 Å²	65.9	91%	0.909	36%	0.355	S	S	*	.			trans	-75.3	67.1	160	-51.1	0	0	0	0	109.1	N490	S488-N490 PolarHBondContact O-N 2.92Å
489	L	73.1	Confident	86.9	Confident	18 Å²	18	65 Å²	65	9%	0.094	35%	0.349	C	S	.	.			trans	-60.8	-19.9	-168.9	-69.7	159.7	0	0	0	113.9	N467 A472 S487 D491	N467-L489 PolarHBondContact ND2-O 2.99Å; A472-L489 HydrophobicContact CB-CD1 3.34Å; A472-L489 HydrophobicContact CB-CD2 4.31Å; A472-L489 HydrophobicContact CB-CG 4.44Å; S487-L489 PolarHBondContact O-N 2.86Å; S487-L489 VanDerWaalsContact OG-CD1 3.26Å; S487-L489 WeakPolarHBondContact OG-CD1 3.34Å; S487-L489 WeakPolarHBondContact OG-CD2 3.32Å; S487-L489 WeakPolarHBondContact OG-CG 3.2Å; L489-D491 HydrophobicContact CB-CB 3.95Å; L489-D491 PolarHBondContact O-N 3.46Å
490	N	84.9	Confident	86.9	Confident	147 Å²	147	64.2 Å²	64.2	79%	0.786	35%	0.347	S	S	*	.			trans	47.4	42.3	-168.6	-166.2	51.9	0	0	0	110.3	S488	S488-N490 PolarHBondContact O-N 2.92Å
491	D	90.4	Very high	86.9	Confident	37 Å²	37	73.9 Å²	73.9	20%	0.198	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-77.8	146.1	-175.9	63.9	-79.8	0	0	0	111.2	N467 K473 L489	N467-D491 CarbonylContact O-C 3.58Å; N467-D491 WeakPolarHBondContact O-CA 3.46Å; K473-D491 WeakPolarHBondContact CD-OD2 3.31Å; K473-D491 WeakPolarHBondContact CE-OD2 3.47Å; K473-D491 IonicContact NZ-OD1 2.8Å; K473-D491 PolarHBondContact NZ-OD1 2.04Å; K473-D491 IonicContact NZ-OD2 3.71Å; K473-D491 PolarHBondContact NZ-OD2 2.89Å; L489-D491 HydrophobicContact CB-CB 3.95Å; L489-D491 PolarHBondContact O-N 3.46Å
492	V	93.1	Very high	87	Confident	47 Å²	47	69.1 Å²	69.1	29%	0.285	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-91.5	134.2	172.3	-179.5	0	0	0	0	107.5	C466 N467 Y468	C466-V492 HydrophobicContact CB-CG2 3.74Å; N467-V492 PolarHBondContact O-N 3.1Å; Y468-V492 HydrophobicContact CE1-CB 4.32Å; Y468-V492 HydrophobicContact CE1-CG1 4.38Å
493	L	91.9	Very high	87.2	Confident	92 Å²	92	61.2 Å²	61.2	48%	0.482	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-82.8	148.6	176	-64.4	178.9	0	0	0	110.1	F476	F476-L493 HydrophobicContact CD1-CB 4.46Å; F476-L493 HydrophobicContact CD1-CD1 4.42Å; F476-L493 HydrophobicContact CD1-CD2 4.41Å; F476-L493 HydrophobicContact CE1-CB 4.25Å
494	P	95.6	Very high	87.5	Confident	10 Å²	10	65.9 Å²	65.9	7%	0.065	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.9	149.6	176.6	27.8	-36	0	0	0	111.7	E458 V459 D460 F476 Y496 A497	E458-P494 HydrophobicContact CB-CB 3.74Å; E458-P494 HydrophobicContact CB-CG 3.97Å; E458-P494 HydrophobicContact CG-CB 4.45Å; V459-P494 CarbonylContact O-C 3.58Å; V459-P494 VanDerWaalsContact O-CB 3.3Å; V459-P494 WeakPolarHBondContact O-CB 3.39Å; D460-P494 WeakPolarHBondContact OD1-CA 3.49Å; D460-P494 WeakPolarHBondContact OD1-CB 3.41Å; F476-P494 HydrophobicContact CD1-CG 4.4Å; F476-P494 HydrophobicContact CE1-CG 3.93Å; F476-P494 HydrophobicContact CZ-CG 4.12Å; P494-Y496 PolarHBondContact O-N 3.13Å; P494-A497 HydrophobicContact CG-CB 3.99Å
495	I	96.1	Very high	87.9	Confident	40 Å²	40	66.1 Å²	66.1	21%	0.205	35%	0.348	C	S	.	.	S	Bend	trans	-68.4	-23.6	175.4	59.6	159.4	0	0	0	111.6	F447 V459 I461 L537 W546	F447-I495 HydrophobicContact CD1-CD1 3.96Å; F447-I495 HydrophobicContact CE1-CD1 3.78Å; V459-I495 HydrophobicContact CB-CG1 4.25Å; V459-I495 HydrophobicContact CG1-CD1 3.9Å; V459-I495 HydrophobicContact CG1-CG1 3.92Å; V459-I495 WeakPolarHBondContact O-CG1 3.38Å; V459-I495 PolarHBondContact O-N 3.22Å; I461-I495 HydrophobicContact CD1-CD1 4.23Å; I461-I495 HydrophobicContact CD1-CG2 3.92Å; I461-I495 HydrophobicContact CG1-CD1 4.05Å; I461-I495 HydrophobicContact CG1-CG2 3.95Å; I495-L537 HydrophobicContact CD1-CD1 4.13Å; I495-W546 HydrophobicContact CB-CG 4.38Å; I495-W546 HydrophobicContact CD1-CD2 4.1Å; I495-W546 HydrophobicContact CD1-CE3 4.44Å; I495-W546 HydrophobicContact CD1-CH2 4.31Å; I495-W546 HydrophobicContact CD1-CZ2 4.01Å
496	Y	97	Very high	88.6	Confident	40 Å²	40	60.6 Å²	60.6	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	139.4	173.3	-179.6	-109.5	0	0	0	110	E458 V459 P494 Y498 K502 F526 L537 Y548	E458-Y496 WeakPolarHBondContact CA-O 3.28Å; V459-Y496 PolarHBondContact N-O 2.8Å; V459-Y496 PolarHBondContact O-N 3.07Å; P494-Y496 PolarHBondContact O-N 3.13Å; Y496-Y498 HydrophobicContact CD1-CD1 4.08Å; Y496-Y498 AromaticContact CE1-CD1 3.53Å; Y496-Y498 HydrophobicContact CE1-CD1 3.53Å; Y496-Y498 HydrophobicContact CE1-CE1 4.39Å; Y496-Y498 HydrophobicContact CE1-CG 4.21Å; Y496-K502 PolarHBondContact OH-NZ 3.29Å; Y496-F526 HydrophobicContact CD1-CE2 4.38Å; Y496-F526 AromaticContact CD1-CZ 3.88Å; Y496-F526 HydrophobicContact CD1-CZ 3.88Å; Y496-F526 HydrophobicContact CE1-CE2 4.36Å; Y496-F526 AromaticContact CE1-CZ 3.84Å; Y496-F526 HydrophobicContact CE1-CZ 3.84Å; Y496-L537 VanDerWaalsContact CB-CD1 3.46Å; Y496-L537 HydrophobicContact CD1-CD1 4.23Å; Y496-L537 HydrophobicContact CD1-CD2 4.09Å; Y496-L537 HydrophobicContact CD2-CD2 3.89Å; Y496-L537 HydrophobicContact CE2-CD2 4.41Å; Y496-L537 HydrophobicContact CG-CD1 3.99Å; Y496-L537 HydrophobicContact CG-CD2 3.73Å; Y496-L537 HydrophobicContact CG-CG 4.45Å; Y496-Y548 HydrophobicContact CE1-CD2 4Å; Y496-Y548 HydrophobicContact CE1-CE2 4.06Å; Y496-Y548 AromaticContact CE2-CD2 3.72Å; Y496-Y548 HydrophobicContact CE2-CD2 3.72Å; Y496-Y548 HydrophobicContact CE2-CE2 4.42Å; Y496-Y548 HydrophobicContact CE2-CG 4.18Å; Y496-Y548 AromaticContact CZ-CD2 3.4Å; Y496-Y548 AromaticContact CZ-CE2 3.65Å; Y496-Y548 VanDerWaalsContact OH-CD2 3.27Å; Y496-Y548 WeakPolarHBondContact OH-CD2 3.43Å; Y496-Y548 WeakPolarHBondContact OH-CE2 3.48Å
497	A	96.5	Very high	90	Very high	14 Å²	14	53.9 Å²	53.9	12%	0.116	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.9	170.6	0	0	0	0	0	110.4	E457 E458 F476 P494	E457-A497 CarbonylContact O-C 3.58Å; E457-A497 WeakPolarHBondContact O-CA 3.16Å; E457-A497 WeakPolarHBondContact O-CB 3.36Å; E458-A497 HydrophobicContact CB-CB 4.13Å; F476-A497 HydrophobicContact CD2-CB 3.89Å; F476-A497 HydrophobicContact CE2-CB 3.57Å; F476-A497 HydrophobicContact CZ-CB 4.19Å; P494-A497 HydrophobicContact CG-CB 3.99Å
498	Y	96.2	Very high	91.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.3	-178.6	63	-88.6	0	0	0	112.3	Y456 E457 Y496 K502 V506 F526 D528 M535	Y456-Y498 VanDerWaalsContact CA-O 3.31Å; Y456-Y498 WeakPolarHBondContact CA-O 3.01Å; E457-Y498 HydrophobicContact CB-CD1 4.12Å; E457-Y498 HydrophobicContact CB-CD2 4.14Å; E457-Y498 HydrophobicContact CB-CE1 3.62Å; E457-Y498 HydrophobicContact CB-CE2 3.63Å; E457-Y498 HydrophobicContact CB-CG 4.38Å; E457-Y498 HydrophobicContact CG-CD2 4.35Å; E457-Y498 HydrophobicContact CG-CE1 4.49Å; E457-Y498 HydrophobicContact CG-CE2 3.65Å; E457-Y498 PolarHBondContact N-O 3.43Å; E457-Y498 PolarHBondContact O-N 2.03Å; Y496-Y498 HydrophobicContact CD1-CD1 4.08Å; Y496-Y498 AromaticContact CE1-CD1 3.53Å; Y496-Y498 HydrophobicContact CE1-CD1 3.53Å; Y496-Y498 HydrophobicContact CE1-CE1 4.39Å; Y496-Y498 HydrophobicContact CE1-CG 4.21Å; Y498-K502 HydrophobicContact CD2-CB 4.18Å; Y498-K502 HydrophobicContact CD2-CG 4.38Å; Y498-V506 HydrophobicContact CE1-CB 4.24Å; Y498-V506 HydrophobicContact CE1-CG2 4.35Å; Y498-V506 VanDerWaalsContact OH-CA 3.27Å; Y498-V506 WeakPolarHBondContact OH-CA 3.47Å; Y498-V506 VanDerWaalsContact OH-CB 3.3Å; Y498-V506 WeakPolarHBondContact OH-CB 3.42Å; Y498-F526 HydrophobicContact CE1-CE2 4.12Å; Y498-D528 WeakPolarHBondContact CE2-OD2 3.33Å; Y498-D528 WeakPolarHBondContact OH-CB 3.46Å; Y498-D528 PolarHBondContact OH-OD2 2.88Å; Y498-M535 HydrophobicContact CE1-CE 4.32Å
499	P	95.2	Very high	93.1	Very high	33 Å²	33	46 Å²	46	21%	0.214	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	157.5	-173	31.3	-36.2	0	0	0	112.9	K455 Y456 R501 K502	K455-P499 CarbonylContact O-C 3.52Å; K455-P499 WeakPolarHBondContact O-CA 3.41Å; Y456-P499 HydrophobicContact CD1-CB 4.21Å; Y456-P499 HydrophobicContact CE1-CB 3.9Å; P499-R501 HydrophobicContact CB-CG 4.04Å; P499-R501 HydrophobicContact CG-CG 3.68Å; P499-R501 PolarHBondContact O-N 2.8Å; P499-K502 WeakPolarHBondContact O-CB 3.4Å; P499-K502 PolarHBondContact O-N 3.06Å
500	H	92.1	Very high	94.3	Very high	44 Å²	44	46.2 Å²	46.2	20%	0.204	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.7	-179.3	-78.5	-142.7	0	0	0	115.8	N454 K455 Y456 E457 K502 G503	N454-H500 VanDerWaalsContact C-NE2 3.32Å; N454-H500 WeakPolarHBondContact CA-CE1 3.43Å; N454-H500 PolarHBondContact N-CE1 2.74Å; N454-H500 PolarHBondContact O-ND1 2.82Å; K455-H500 PolarHBondContact N-NE2 3Å; K455-H500 PolarHBondContact O-CD2 3.41Å; K455-H500 VanDerWaalsContact O-CD2 3.28Å; K455-H500 PolarHBondContact O-N 3.28Å; Y456-H500 PolarHBondContact N-CD2 3.4Å; Y456-H500 VanDerWaalsContact N-CD2 3.33Å; Y456-H500 PolarHBondContact N-NE2 2.9Å; E457-H500 IonicContact OE1-CD2 3.36Å; E457-H500 IonicContact OE1-CE1 2.73Å; E457-H500 PolarHBondContact OE1-CE1 3.05Å; E457-H500 IonicContact OE1-NE2 2.65Å; E457-H500 PolarHBondContact OE1-NE2 3.2Å; H500-K502 PolarHBondContact O-N 3.39Å; H500-G503 CarbonylContact C-O 3.56Å; H500-G503 WeakPolarHBondContact CA-O 3.43Å
501	R	90.5	Very high	94.9	Very high	235 Å²	235	39.5 Å²	39.5	89%	0.887	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.1	171.4	64.6	175.4	179.7	-179.1	0	113.5	P499	P499-R501 HydrophobicContact CB-CG 4.04Å; P499-R501 HydrophobicContact CG-CG 3.68Å; P499-R501 PolarHBondContact O-N 2.8Å
502	K	90.7	Very high	95.3	Very high	54 Å²	54	37.9 Å²	37.9	24%	0.235	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-39.8	-179.3	-177.3	172.3	-179.5	170.6	0	112	Y496 Y498 P499 H500 H533 Y548 E550	Y496-K502 PolarHBondContact OH-NZ 3.29Å; Y498-K502 HydrophobicContact CD2-CB 4.18Å; Y498-K502 HydrophobicContact CD2-CG 4.38Å; P499-K502 WeakPolarHBondContact O-CB 3.4Å; P499-K502 PolarHBondContact O-N 3.06Å; H500-K502 PolarHBondContact O-N 3.39Å; K502-H533 PolarHBondContact O-CE1 3.34Å; K502-H533 PolarHBondContact O-ND1 3.07Å; K502-H533 VanDerWaalsContact O-ND1 3.07Å; K502-Y548 WeakPolarHBondContact CE-OH 3.49Å; K502-Y548 VanDerWaalsContact NZ-CE1 3.27Å; K502-Y548 PolarHBondContact NZ-OH 3.07Å; K502-E550 IonicContact NZ-OE2 3.67Å
503	G	92.7	Very high	95.4	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	17%	0.169	C	C	.	.			trans	-167.1	160.3	175.3	0	0	0	0	0	108.4	H500 D528	H500-G503 CarbonylContact C-O 3.56Å; H500-G503 WeakPolarHBondContact CA-O 3.43Å; G503-D528 VanDerWaalsContact CA-CG 3.47Å; G503-D528 WeakPolarHBondContact CA-OD1 2.95Å; G503-D528 VanDerWaalsContact CA-OD2 3.27Å; G503-D528 WeakPolarHBondContact CA-OD2 3.47Å
504	K	93	Very high	95.4	Very high	124 Å²	124	32.7 Å²	32.7	54%	0.539	15%	0.149	S	C	.	.	S	Bend	trans	-122.9	-1.3	-167.3	-59.2	179.9	179.5	175.5	0	114.9	E457 D528 M530	E457-K504 VanDerWaalsContact CD-C 3.44Å; K504-D528 PolarHBondContact N-OD1 3.35Å; K504-D528 PolarHBondContact N-OD2 3.01Å; K504-M530 HydrophobicContact CB-CB 3.96Å; K504-M530 HydrophobicContact CB-CG 4.04Å
505	S	95.4	Very high	94.8	Very high	25 Å²	25	34.4 Å²	34.4	18%	0.175	16%	0.161	C	C	.	.			trans	-163.7	96.3	-178	178	0	0	0	0	107.8	E457 T507 D528 F529	E457-S505 WeakPolarHBondContact OE2-CA 3.4Å; S505-T507 PolarHBondContact O-N 2.96Å; S505-D528 VanDerWaalsContact C-OD2 3.25Å; S505-D528 PolarHBondContact N-OD2 3.26Å; S505-D528 CarbonylContact O-C 3.53Å; S505-D528 VanDerWaalsContact O-CA 3.3Å; S505-D528 WeakPolarHBondContact O-CA 2.99Å; S505-F529 PolarHBondContact O-N 3.34Å
506	V	97.8	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	126.9	175.3	59.8	0	0	0	0	109.6	D450 V451 E457 E458 V459 Y498 F526	D450-V506 WeakPolarHBondContact O-CG1 3.25Å; V451-V506 HydrophobicContact CG2-CG1 4.35Å; V451-V506 VanDerWaalsContact CG2-O 3.31Å; V451-V506 WeakPolarHBondContact CG2-O 3.3Å; E457-V506 HydrophobicContact CB-CB 3.9Å; E457-V506 HydrophobicContact CB-CG1 3.99Å; E457-V506 HydrophobicContact CG-CB 4.49Å; E457-V506 PolarHBondContact OE2-N 3.15Å; E458-V506 WeakPolarHBondContact O-CG1 3.39Å; V459-V506 HydrophobicContact CG2-CG2 4.21Å; Y498-V506 HydrophobicContact CE1-CB 4.24Å; Y498-V506 HydrophobicContact CE1-CG2 4.35Å; Y498-V506 VanDerWaalsContact OH-CA 3.27Å; Y498-V506 WeakPolarHBondContact OH-CA 3.47Å; Y498-V506 VanDerWaalsContact OH-CB 3.3Å; Y498-V506 WeakPolarHBondContact OH-CB 3.42Å; V506-F526 HydrophobicContact CG2-CD2 4.08Å
507	T	97.9	Very high	93.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-35.9	176.5	-51.6	0	0	0	0	110.4	R429 S505 G527 F529 I572 I573 F575	R429-T507 WeakPolarHBondContact CB-O 3.3Å; R429-T507 PolarHBondContact N-O 2.01Å; S505-T507 PolarHBondContact O-N 2.96Å; T507-G527 WeakPolarHBondContact CB-O 3.39Å; T507-G527 PolarHBondContact N-O 3.08Å; T507-G527 PolarHBondContact OG1-O 3.24Å; T507-F529 PolarHBondContact OG1-N 3.48Å; T507-I572 HydrophobicContact CG2-CG2 4.36Å; T507-I572 WeakPolarHBondContact CG2-O 3.36Å; T507-I572 PolarHBondContact OG1-O 3.39Å; T507-I573 VanDerWaalsContact CG2-C 3.44Å; T507-I573 VanDerWaalsContact CG2-O 3.25Å; T507-I573 WeakPolarHBondContact CG2-O 3.31Å; T507-F575 HydrophobicContact CG2-CD2 4.03Å; T507-F575 HydrophobicContact CG2-CE2 4.16Å
508	G	97.3	Very high	93.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.1	-172.6	-163.4	0	0	0	0	0	111	F526 G527 F575	G508-F526 WeakPolarHBondContact O-CA 3.43Å; G508-F526 VanDerWaalsContact O-CB 3.28Å; G508-F526 WeakPolarHBondContact O-CB 3.4Å; G508-G527 PolarHBondContact O-N 3.02Å; G508-F575 WeakPolarHBondContact O-CD2 3.48Å; G508-F575 WeakPolarHBondContact O-CE2 3.38Å
509	G	97.8	Very high	92.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-165.3	-169.2	0	0	0	0	0	114.8	S431 Y524 I525	S431-G509 WeakPolarHBondContact CB-O 3.31Å; S431-G509 PolarHBondContact OG-O 3.42Å; G509-Y524 PolarHBondContact N-OH 3.22Å; G509-Y524 WeakPolarHBondContact O-CE2 3.21Å; G509-I525 CarbonylContact C-O 3.53Å; G509-I525 WeakPolarHBondContact CA-O 3.09Å
510	Y	98.4	Very high	92.8	Very high	23 Å²	23	33 Å²	33	9%	0.09	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.2	-178.5	-74.5	-111.1	0	0	0	111.4	S431 Y512 Y524 I525 F575 E577 L583	S431-Y510 VanDerWaalsContact CB-CE1 3.41Å; S431-Y510 WeakPolarHBondContact OG-CA 3.33Å; Y510-Y512 PolarHBondContact O-N 3.37Å; Y510-Y524 CarbonylContact O-C 3.37Å; Y510-Y524 WeakPolarHBondContact O-CA 3.46Å; Y510-I525 PolarHBondContact N-O 3Å; Y510-I525 PolarHBondContact O-N 3.14Å; Y510-F575 HydrophobicContact CD2-CB 3.54Å; Y510-F575 HydrophobicContact CE2-CB 3.67Å; Y510-F575 VanDerWaalsContact CE2-O 3.3Å; Y510-F575 WeakPolarHBondContact CE2-O 3.31Å; Y510-E577 HydrophobicContact CD1-CB 4.15Å; Y510-E577 HydrophobicContact CD1-CG 4.01Å; Y510-E577 HydrophobicContact CE1-CB 4.27Å; Y510-E577 HydrophobicContact CE1-CG 3.81Å; Y510-L583 HydrophobicContact CD2-CD1 4.3Å; Y510-L583 HydrophobicContact CG-CD1 4.16Å
511	V	98.1	Very high	92.9	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.036	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	115.8	162.9	-176.4	0	0	0	0	107.5	D433 F447 R513 M523 Y524	D433-V511 HydrophobicContact CB-CB 4.25Å; D433-V511 HydrophobicContact CB-CG2 4.03Å; F447-V511 HydrophobicContact CD2-CG2 3.74Å; F447-V511 HydrophobicContact CE1-CG2 4.47Å; F447-V511 HydrophobicContact CE2-CG2 3.56Å; F447-V511 HydrophobicContact CG-CG2 4.29Å; F447-V511 HydrophobicContact CZ-CG2 3.97Å; V511-R513 HydrophobicContact CG1-CG 4.41Å; V511-R513 PolarHBondContact O-N 2.93Å; V511-R513 VanDerWaalsContact O-N 3.16Å; V511-M523 CarbonylContact C-O 3.52Å; V511-M523 WeakPolarHBondContact CA-O 3.31Å; V511-Y524 HydrophobicContact CG2-CD2 3.96Å
512	Y	97.4	Very high	93	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.008	12%	0.122	C	C	.	.			trans	-64.5	119.6	178.8	-178	-81.6	0	0	0	109.9	Y510 G514 H517 L520 N521 G522 M523 E582 L583	Y510-Y512 PolarHBondContact O-N 3.37Å; Y512-G514 VanDerWaalsContact CE1-O 3.32Å; Y512-G514 WeakPolarHBondContact CE1-O 3.2Å; Y512-H517 HydrophobicContact CE1-CB 4.13Å; Y512-H517 WeakPolarHBondContact CE1-O 3.44Å; Y512-H517 HydrophobicContact CE2-CB 4.42Å; Y512-H517 WeakPolarHBondContact OH-CB 3.38Å; Y512-H517 PolarHBondContact OH-N 3.25Å; Y512-L520 HydrophobicContact CD1-CB 3.43Å; Y512-L520 VanDerWaalsContact CD1-CB 3.43Å; Y512-L520 HydrophobicContact CD2-CB 4.06Å; Y512-L520 HydrophobicContact CD2-CD1 4.14Å; Y512-L520 HydrophobicContact CE1-CB 3.87Å; Y512-L520 HydrophobicContact CE2-CB 4.48Å; Y512-L520 HydrophobicContact CE2-CD1 4.2Å; Y512-L520 HydrophobicContact CG-CB 3.55Å; Y512-L520 HydrophobicContact CG-CD1 4.48Å; Y512-N521 WeakPolarHBondContact O-CA 3.34Å; Y512-G522 PolarHBondContact O-N 3.24Å; Y512-M523 PolarHBondContact N-O 3.09Å; Y512-E582 PolarHBondContact OH-OE1 2.91Å; Y512-E582 PolarHBondContact OH-OE2 3.2Å; Y512-L583 HydrophobicContact CD2-CB 3.64Å; Y512-L583 HydrophobicContact CD2-CD2 4.39Å; Y512-L583 HydrophobicContact CE2-CB 4.11Å
513	R	95.1	Very high	93.3	Very high	24 Å²	24	20.9 Å²	20.9	9%	0.091	12%	0.116	C	C	.	.			trans	-127.9	15.4	175.8	-61.9	-59.7	-175	-179.4	5.6	112.6	D433 R434 G435 E441 V511 N521	D433-R513 IonicContact OD1-CZ 3.68Å; D433-R513 IonicContact OD1-NE 3.25Å; D433-R513 PolarHBondContact OD1-NE 2.66Å; D433-R513 IonicContact OD1-NH2 2.74Å; D433-R513 PolarHBondContact OD1-NH2 3.21Å; D433-R513 VanDerWaalsContact OD1-NH2 3.11Å; D433-R513 IonicContact OD2-CZ 3.07Å; D433-R513 IonicContact OD2-NE 3.55Å; D433-R513 IonicContact OD2-NH2 3.5Å; D433-R513 PolarHBondContact OD2-NH2 2.9Å; R434-R513 HydrophobicContact CB-CB 4.3Å; R434-R513 HydrophobicContact CB-CG 4.19Å; G435-R513 WeakPolarHBondContact O-CD 3.4Å; E441-R513 PolarHBondContact O-NH2 3.04Å; V511-R513 HydrophobicContact CG1-CG 4.41Å; V511-R513 PolarHBondContact O-N 2.93Å; V511-R513 VanDerWaalsContact O-N 3.16Å; R513-N521 WeakPolarHBondContact CD-OD1 3.49Å; R513-N521 PolarHBondContact NH1-OD1 3.11Å
514	G	91.8	Very high	93.6	Very high	6 Å²	6	20.8 Å²	20.8	6%	0.062	11%	0.114	C	C	.	.			trans	-63.7	159.2	176.3	0	0	0	0	0	112.1	Y512 G581 E582	Y512-G514 VanDerWaalsContact CE1-O 3.32Å; Y512-G514 WeakPolarHBondContact CE1-O 3.2Å; G514-G581 VanDerWaalsContact CA-C 3.4Å; G514-G581 WeakPolarHBondContact CA-O 3.38Å; G514-G581 PolarHBondContact N-O 2.99Å; G514-E582 WeakPolarHBondContact CA-OE1 3.48Å
515	C	83.8	Confident	93.8	Very high	46 Å²	46	14.9 Å²	14.9	31%	0.311	9%	0.089	S	C	.	.	S	Bend	trans	-85.4	-35.3	-179.7	-178	0	0	0	0	111	H517 E582 A610 C615	C515-H517 PolarHBondContact O-N 3.46Å; C515-E582 PolarHBondContact N-OE1 3.07Å; C515-A610 WeakPolarHBondContact O-CB 3.29Å; C515-C615 HydrophobicContact CB-CB 3.63Å; C515-C615 WeakPolarHBondContact CB-SG 3.05Å; C515-C615 PolarHBondContact O-SG 3.34Å; C515-C615 WeakPolarHBondContact SG-CA 3.43Å; C515-C615 WeakPolarHBondContact SG-CB 3.2Å; C515-C615 CovalentContact SG-SG 2.03Å; C515-C615 PolarHBondContact SG-SG 3.06Å
516	E	86.1	Confident	94	Very high	27 Å²	27	13.7 Å²	13.7	13%	0.126	8%	0.08	C	C	.	.	S	Bend	trans	-69.1	-34.9	-166.9	-67	-174.3	-148.7	0	0	113.8	P518 E582 K602 R609 A610 C615	E516-P518 VanDerWaalsContact O-CD 3.22Å; E516-P518 WeakPolarHBondContact O-CD 3.26Å; E516-E582 HydrophobicContact CG-CG 4.35Å; E516-E582 PolarHBondContact N-OE1 2.9Å; E516-K602 IonicContact OE1-NZ 2.87Å; E516-K602 PolarHBondContact OE1-NZ 3.1Å; E516-K602 IonicContact OE2-NZ 3.96Å; E516-K602 PolarHBondContact OE2-NZ 2.86Å; E516-R609 CarbonylContact O-C 3.55Å; E516-R609 WeakPolarHBondContact O-CA 3.42Å; E516-R609 WeakPolarHBondContact O-CG 3.46Å; E516-R609 IonicContact OE2-CZ 3.39Å; E516-R609 IonicContact OE2-NE 3.43Å; E516-R609 IonicContact OE2-NH2 2.72Å; E516-R609 PolarHBondContact OE2-NH2 3.37Å; E516-A610 PolarHBondContact O-N 3.43Å; E516-C615 HydrophobicContact CG-CB 4.15Å
517	H	87.8	Confident	94	Very high	3 Å²	3	13.7 Å²	13.7	1%	0.014	8%	0.08	C	C	.	.			trans	-117.9	78.7	-173.5	-58.7	-63.8	0	0	0	111.9	Y512 C515 N519 L520 E582 D605	Y512-H517 HydrophobicContact CE1-CB 4.13Å; Y512-H517 WeakPolarHBondContact CE1-O 3.44Å; Y512-H517 HydrophobicContact CE2-CB 4.42Å; Y512-H517 WeakPolarHBondContact OH-CB 3.38Å; Y512-H517 PolarHBondContact OH-N 3.25Å; C515-H517 PolarHBondContact O-N 3.46Å; H517-N519 PolarHBondContact O-N 2.92Å; H517-L520 HydrophobicContact CB-CB 4.41Å; H517-L520 HydrophobicContact CB-CD1 3.77Å; H517-L520 HydrophobicContact CB-CG 3.93Å; H517-L520 PolarHBondContact O-N 2.88Å; H517-E582 IonicContact CD2-OE2 3.01Å; H517-D605 HydrophobicContact CB-CB 4.09Å; H517-D605 PolarHBondContact ND1-N 3.03Å; H517-D605 PolarHBondContact ND1-O 3.2Å
518	P	84.8	Confident	94	Very high	45 Å²	45	13.7 Å²	13.7	29%	0.292	8%	0.08	S	C	.	.	G	3₁₀ helix	trans	-62.3	-22.5	-171.2	22.9	-34.1	0	0	0	114.4	E516 L520 N521 R608	E516-P518 VanDerWaalsContact O-CD 3.22Å; E516-P518 WeakPolarHBondContact O-CD 3.26Å; P518-L520 VanDerWaalsContact C-N 3.28Å; P518-L520 PolarHBondContact O-N 3.26Å; P518-N521 WeakPolarHBondContact O-CB 3.04Å; P518-N521 PolarHBondContact O-N 2.97Å; P518-R608 HydrophobicContact CG-CG 4.14Å
519	N	87.9	Confident	94	Very high	23 Å²	23	15.7 Å²	15.7	12%	0.123	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-70.9	-25.5	176.7	-68.1	-23.4	0	0	0	113.4	G203 R204 V205 H517 N521 M523 D605 R608	G203-N519 PolarHBondContact O-ND2 3.43Å; G203-N519 PolarHBondContact O-OD1 3.08Å; R204-N519 WeakPolarHBondContact CA-ND2 3.24Å; V205-N519 HydrophobicContact CG2-CB 3.69Å; V205-N519 PolarHBondContact N-ND2 3.27Å; H517-N519 PolarHBondContact O-N 2.92Å; N519-N521 VanDerWaalsContact C-N 3.3Å; N519-M523 WeakPolarHBondContact O-CE 3.38Å; N519-D605 WeakPolarHBondContact CB-OD2 3.49Å; N519-D605 PolarHBondContact ND2-OD2 3.39Å; N519-R608 WeakPolarHBondContact ND2-CB 3.08Å; N519-R608 WeakPolarHBondContact OD1-CD 3.08Å; N519-R608 PolarHBondContact OD1-NH1 3.14Å
520	L	93.3	Very high	93.7	Very high	2 Å²	2	20 Å²	20	1%	0.01	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-80.3	-15	179.5	-55.7	-174.8	0	0	0	111.7	V205 L215 Y512 H517 P518 G522 M523 I525 V603 D605	V205-L520 HydrophobicContact CG2-CD2 3.78Å; L215-L520 HydrophobicContact CD1-CD2 4.38Å; L215-L520 HydrophobicContact CD2-CD2 3.99Å; Y512-L520 HydrophobicContact CD1-CB 3.43Å; Y512-L520 VanDerWaalsContact CD1-CB 3.43Å; Y512-L520 HydrophobicContact CD2-CB 4.06Å; Y512-L520 HydrophobicContact CD2-CD1 4.14Å; Y512-L520 HydrophobicContact CE1-CB 3.87Å; Y512-L520 HydrophobicContact CE2-CB 4.48Å; Y512-L520 HydrophobicContact CE2-CD1 4.2Å; Y512-L520 HydrophobicContact CG-CB 3.55Å; Y512-L520 HydrophobicContact CG-CD1 4.48Å; H517-L520 HydrophobicContact CB-CB 4.41Å; H517-L520 HydrophobicContact CB-CD1 3.77Å; H517-L520 HydrophobicContact CB-CG 3.93Å; H517-L520 PolarHBondContact O-N 2.88Å; P518-L520 VanDerWaalsContact C-N 3.28Å; P518-L520 PolarHBondContact O-N 3.26Å; L520-G522 PolarHBondContact O-N 3.17Å; L520-M523 HydrophobicContact CD2-SD 4.22Å; L520-M523 VanDerWaalsContact O-CB 3.27Å; L520-M523 WeakPolarHBondContact O-CB 3.39Å; L520-M523 WeakPolarHBondContact O-CG 3.4Å; L520-M523 PolarHBondContact O-N 3.03Å; L520-I525 HydrophobicContact CD1-CD1 4.37Å; L520-V603 HydrophobicContact CD1-CG1 4.27Å; L520-D605 HydrophobicContact CD1-CB 4.23Å; L520-D605 HydrophobicContact CD2-CB 4.32Å; L520-D605 HydrophobicContact CG-CB 4.15Å
521	N	92.6	Very high	93.6	Very high	40 Å²	40	20.9 Å²	20.9	21%	0.214	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	125.9	-177.2	-177.5	42.9	0	0	0	112.3	D436 Y512 R513 P518 N519 M523	D436-N521 PolarHBondContact OD2-ND2 3.27Å; Y512-N521 WeakPolarHBondContact O-CA 3.34Å; R513-N521 WeakPolarHBondContact CD-OD1 3.49Å; R513-N521 PolarHBondContact NH1-OD1 3.11Å; P518-N521 WeakPolarHBondContact O-CB 3.04Å; P518-N521 PolarHBondContact O-N 2.97Å; N519-N521 VanDerWaalsContact C-N 3.3Å; N521-M523 VanDerWaalsContact C-N 3.3Å; N521-M523 PolarHBondContact O-N 2.9Å
522	G	93.8	Very high	93.4	Very high	20 Å²	20	20.8 Å²	20.8	21%	0.206	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	6.6	-180	0	0	0	0	0	115	Y512 L520	Y512-G522 PolarHBondContact O-N 3.24Å; L520-G522 PolarHBondContact O-N 3.17Å
523	M	96.4	Very high	93.3	Very high	19 Å²	19	24.1 Å²	24.1	9%	0.094	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.9	168.8	-62.4	-175.4	-179.7	0	0	109.6	L213 V511 Y512 N519 L520 N521 I525 K538	L213-M523 HydrophobicContact CD1-SD 4.44Å; V511-M523 CarbonylContact C-O 3.52Å; V511-M523 WeakPolarHBondContact CA-O 3.31Å; Y512-M523 PolarHBondContact N-O 3.09Å; N519-M523 WeakPolarHBondContact O-CE 3.38Å; L520-M523 HydrophobicContact CD2-SD 4.22Å; L520-M523 VanDerWaalsContact O-CB 3.27Å; L520-M523 WeakPolarHBondContact O-CB 3.39Å; L520-M523 WeakPolarHBondContact O-CG 3.4Å; L520-M523 PolarHBondContact O-N 3.03Å; N521-M523 VanDerWaalsContact C-N 3.3Å; N521-M523 PolarHBondContact O-N 2.9Å; M523-I525 HydrophobicContact CB-CG1 4.17Å; M523-I525 PolarHBondContact O-N 2.81Å; M523-K538 HydrophobicContact CE-CD 4.17Å; M523-K538 HydrophobicContact CG-CB 4.44Å; M523-K538 HydrophobicContact CG-CD 4.06Å
524	Y	98.4	Very high	93.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	106.5	165.5	-179.6	-109.1	0	0	0	108.6	F447 V459 G509 Y510 V511 F526 S536 L537	F447-Y524 HydrophobicContact CB-CD2 3.86Å; F447-Y524 HydrophobicContact CB-CE2 3.33Å; F447-Y524 HydrophobicContact CD1-CD1 4.47Å; F447-Y524 AromaticContact CD1-CD2 3.82Å; F447-Y524 HydrophobicContact CD1-CD2 3.82Å; F447-Y524 HydrophobicContact CD1-CE2 4.06Å; F447-Y524 HydrophobicContact CD1-CG 4.03Å; F447-Y524 AromaticContact CG-CD2 3.84Å; F447-Y524 HydrophobicContact CG-CD2 3.84Å; F447-Y524 AromaticContact CG-CE2 3.85Å; F447-Y524 HydrophobicContact CG-CE2 3.85Å; V459-Y524 HydrophobicContact CB-CE1 4.47Å; V459-Y524 HydrophobicContact CG1-CD1 4.09Å; V459-Y524 HydrophobicContact CG1-CE1 3.4Å; V459-Y524 VanDerWaalsContact CG1-CE1 3.4Å; V459-Y524 HydrophobicContact CG2-CE1 4.21Å; G509-Y524 PolarHBondContact N-OH 3.22Å; G509-Y524 WeakPolarHBondContact O-CE2 3.21Å; Y510-Y524 CarbonylContact O-C 3.37Å; Y510-Y524 WeakPolarHBondContact O-CA 3.46Å; V511-Y524 HydrophobicContact CG2-CD2 3.96Å; Y524-F526 HydrophobicContact CD1-CB 4.26Å; Y524-F526 AromaticContact CD1-CD1 3.7Å; Y524-F526 HydrophobicContact CD1-CD1 3.7Å; Y524-F526 HydrophobicContact CD1-CE1 4.41Å; Y524-F526 HydrophobicContact CD1-CG 4.17Å; Y524-F526 HydrophobicContact CE1-CB 3.67Å; Y524-F526 AromaticContact CE1-CD1 3.79Å; Y524-F526 HydrophobicContact CE1-CD1 3.79Å; Y524-F526 AromaticContact CE1-CG 3.77Å; Y524-F526 HydrophobicContact CE1-CG 3.77Å; Y524-S536 CarbonylContact O-C 3.55Å; Y524-S536 VanDerWaalsContact O-CA 3.22Å; Y524-S536 WeakPolarHBondContact O-CA 3.03Å; Y524-L537 HydrophobicContact CD1-CD1 4.19Å; Y524-L537 PolarHBondContact N-O 3.01Å; Y524-L537 PolarHBondContact O-N 3.09Å
525	I	98.6	Very high	93.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.5	-179.5	-63.2	172.9	0	0	0	108.2	G509 Y510 L520 M523 M535 I551 F575 L583	G509-I525 CarbonylContact C-O 3.53Å; G509-I525 WeakPolarHBondContact CA-O 3.09Å; Y510-I525 PolarHBondContact N-O 3Å; Y510-I525 PolarHBondContact O-N 3.14Å; L520-I525 HydrophobicContact CD1-CD1 4.37Å; M523-I525 HydrophobicContact CB-CG1 4.17Å; M523-I525 PolarHBondContact O-N 2.81Å; I525-M535 WeakPolarHBondContact CA-O 3.02Å; I525-I551 HydrophobicContact CB-CD1 4.48Å; I525-I551 HydrophobicContact CD1-CD1 4.44Å; I525-I551 HydrophobicContact CG1-CD1 4.14Å; I525-I551 HydrophobicContact CG2-CD1 3.73Å; I525-F575 HydrophobicContact CG2-CE1 4.31Å; I525-L583 HydrophobicContact CB-CD2 3.63Å; I525-L583 HydrophobicContact CD1-CD2 3.78Å; I525-L583 HydrophobicContact CG1-CD2 4.24Å; I525-L583 HydrophobicContact CG2-CD2 3.8Å
526	F	98.6	Very high	94.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	167.9	-173	68.8	-71.5	0	0	0	110.4	V459 Y496 Y498 V506 G508 Y524 M535 L537 F575	V459-F526 HydrophobicContact CG2-CD2 4.05Å; V459-F526 HydrophobicContact CG2-CE2 3.94Å; V459-F526 HydrophobicContact CG2-CZ 4.44Å; Y496-F526 HydrophobicContact CD1-CE2 4.38Å; Y496-F526 AromaticContact CD1-CZ 3.88Å; Y496-F526 HydrophobicContact CD1-CZ 3.88Å; Y496-F526 HydrophobicContact CE1-CE2 4.36Å; Y496-F526 AromaticContact CE1-CZ 3.84Å; Y496-F526 HydrophobicContact CE1-CZ 3.84Å; Y498-F526 HydrophobicContact CE1-CE2 4.12Å; V506-F526 HydrophobicContact CG2-CD2 4.08Å; G508-F526 WeakPolarHBondContact O-CA 3.43Å; G508-F526 VanDerWaalsContact O-CB 3.28Å; G508-F526 WeakPolarHBondContact O-CB 3.4Å; Y524-F526 HydrophobicContact CD1-CB 4.26Å; Y524-F526 AromaticContact CD1-CD1 3.7Å; Y524-F526 HydrophobicContact CD1-CD1 3.7Å; Y524-F526 HydrophobicContact CD1-CE1 4.41Å; Y524-F526 HydrophobicContact CD1-CG 4.17Å; Y524-F526 HydrophobicContact CE1-CB 3.67Å; Y524-F526 AromaticContact CE1-CD1 3.79Å; Y524-F526 HydrophobicContact CE1-CD1 3.79Å; Y524-F526 AromaticContact CE1-CG 3.77Å; Y524-F526 HydrophobicContact CE1-CG 3.77Å; F526-M535 HydrophobicContact CD1-CB 4.03Å; F526-M535 WeakPolarHBondContact CD1-O 3.17Å; F526-M535 HydrophobicContact CD2-CB 4.44Å; F526-M535 HydrophobicContact CD2-CE 3.89Å; F526-M535 HydrophobicContact CE1-CB 3.44Å; F526-M535 VanDerWaalsContact CE1-CB 3.44Å; F526-M535 HydrophobicContact CE2-CB 3.97Å; F526-M535 HydrophobicContact CE2-CE 3.5Å; F526-M535 HydrophobicContact CE2-SD 3.84Å; F526-M535 HydrophobicContact CG-CB 4.48Å; F526-M535 HydrophobicContact CZ-CB 3.44Å; F526-M535 VanDerWaalsContact CZ-CB 3.44Å; F526-M535 HydrophobicContact CZ-CE 4.14Å; F526-M535 HydrophobicContact CZ-CG 4.28Å; F526-M535 HydrophobicContact CZ-SD 3.91Å; F526-M535 PolarHBondContact N-O 3.5Å; F526-M535 PolarHBondContact O-N 2.86Å; F526-L537 HydrophobicContact CE1-CD1 4.17Å; F526-L537 HydrophobicContact CE1-CD2 4.37Å; F526-L537 HydrophobicContact CE1-CG 3.72Å; F526-L537 HydrophobicContact CZ-CD1 4.47Å; F526-L537 HydrophobicContact CZ-CG 4.27Å; F526-F575 VanDerWaalsContact C-CZ 3.47Å
527	G	97.9	Very high	94.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	173.6	-177.3	0	0	0	0	0	113.6	T507 G508 H533 F575	T507-G527 WeakPolarHBondContact CB-O 3.39Å; T507-G527 PolarHBondContact N-O 3.08Å; T507-G527 PolarHBondContact OG1-O 3.24Å; G508-G527 PolarHBondContact O-N 3.02Å; G527-H533 VanDerWaalsContact CA-O 3.24Å; G527-H533 WeakPolarHBondContact CA-O 3.42Å; G527-F575 VanDerWaalsContact N-CE2 3.3Å; G527-F575 VanDerWaalsContact N-CZ 3.33Å
528	D	98.1	Very high	95.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.7	171.8	-178.1	-90.2	0	0	0	109.9	Y498 G503 K504 S505 M530 S531 G532 H533 M535	Y498-D528 WeakPolarHBondContact CE2-OD2 3.33Å; Y498-D528 WeakPolarHBondContact OH-CB 3.46Å; Y498-D528 PolarHBondContact OH-OD2 2.88Å; G503-D528 VanDerWaalsContact CA-CG 3.47Å; G503-D528 WeakPolarHBondContact CA-OD1 2.95Å; G503-D528 VanDerWaalsContact CA-OD2 3.27Å; G503-D528 WeakPolarHBondContact CA-OD2 3.47Å; K504-D528 PolarHBondContact N-OD1 3.35Å; K504-D528 PolarHBondContact N-OD2 3.01Å; S505-D528 VanDerWaalsContact C-OD2 3.25Å; S505-D528 PolarHBondContact N-OD2 3.26Å; S505-D528 CarbonylContact O-C 3.53Å; S505-D528 VanDerWaalsContact O-CA 3.3Å; S505-D528 WeakPolarHBondContact O-CA 2.99Å; D528-M530 PolarHBondContact O-N 3.44Å; D528-M530 PolarHBondContact OD1-N 3.41Å; D528-S531 VanDerWaalsContact CB-OG 3.28Å; D528-S531 WeakPolarHBondContact CB-OG 3.34Å; D528-S531 VanDerWaalsContact CG-OG 3.22Å; D528-S531 WeakPolarHBondContact OD1-CB 3.38Å; D528-S531 PolarHBondContact OD1-N 3.33Å; D528-S531 PolarHBondContact OD1-OG 2.89Å; D528-G532 WeakPolarHBondContact O-CA 2.89Å; D528-G532 PolarHBondContact O-N 3.03Å; D528-H533 PolarHBondContact N-O 3.29Å; D528-M535 HydrophobicContact CB-CE 4Å
529	F	96.8	Very high	95.8	Very high	43 Å²	43	23.9 Å²	23.9	19%	0.189	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-39	-173.7	168.2	-101.5	0	0	0	112.8	S505 T507 Y571 I572 I573 P591	S505-F529 PolarHBondContact O-N 3.34Å; T507-F529 PolarHBondContact OG1-N 3.48Å; F529-Y571 HydrophobicContact CE1-CD1 4.25Å; F529-Y571 HydrophobicContact CE2-CD1 4.22Å; F529-Y571 HydrophobicContact CE2-CG 4.35Å; F529-Y571 HydrophobicContact CZ-CD1 4Å; F529-Y571 HydrophobicContact CZ-CG 4.45Å; F529-Y571 VanDerWaalsContact O-CA 3.31Å; F529-Y571 WeakPolarHBondContact O-CA 3.19Å; F529-Y571 WeakPolarHBondContact O-CD1 3.03Å; F529-I572 WeakPolarHBondContact CA-O 3.43Å; F529-I572 WeakPolarHBondContact CB-O 3.22Å; F529-I573 HydrophobicContact CE2-CG1 4.35Å; F529-P591 HydrophobicContact CE2-CB 4Å; F529-P591 HydrophobicContact CZ-CB 3.52Å; F529-P591 HydrophobicContact CZ-CG 4.18Å
530	M	93.3	Very high	96	Very high	89 Å²	89	26.3 Å²	26.3	44%	0.438	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-36.2	-173	-71.8	-64.2	-67.2	0	0	113.6	K504 D528 Y571	K504-M530 HydrophobicContact CB-CB 3.96Å; K504-M530 HydrophobicContact CB-CG 4.04Å; D528-M530 PolarHBondContact O-N 3.44Å; D528-M530 PolarHBondContact OD1-N 3.41Å; M530-Y571 HydrophobicContact SD-CE1 4.41Å
531	S	94.4	Very high	95.6	Very high	42 Å²	42	30.1 Å²	30.1	29%	0.294	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-20.9	-178.8	58	0	0	0	0	113.2	D528 H533	D528-S531 VanDerWaalsContact CB-OG 3.28Å; D528-S531 WeakPolarHBondContact CB-OG 3.34Å; D528-S531 VanDerWaalsContact CG-OG 3.22Å; D528-S531 WeakPolarHBondContact OD1-CB 3.38Å; D528-S531 PolarHBondContact OD1-N 3.33Å; D528-S531 PolarHBondContact OD1-OG 2.89Å; S531-H533 PolarHBondContact O-N 2.84Å; S531-H533 PolarHBondContact OG-N 2.87Å
532	G	95.5	Very high	95.4	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	19%	0.19	C	C	.	.			trans	69.6	11.5	-171.9	0	0	0	0	0	113.8	D528 L534 Y568 P570 I572	D528-G532 WeakPolarHBondContact O-CA 2.89Å; D528-G532 PolarHBondContact O-N 3.03Å; G532-L534 PolarHBondContact O-N 3.18Å; G532-Y568 WeakPolarHBondContact O-CE2 3.15Å; G532-Y568 PolarHBondContact O-OH 2.04Å; G532-P570 WeakPolarHBondContact CA-O 3.46Å; G532-P570 PolarHBondContact N-O 2.72Å; G532-I572 WeakPolarHBondContact O-CD1 3.4Å
533	H	95.3	Very high	95.3	Very high	73 Å²	73	37.7 Å²	37.7	34%	0.338	20%	0.202	S	C	.	.			trans	-67.7	133	176.7	-69.7	173.3	0	0	0	111.1	K502 G527 D528 S531 M535 E550	K502-H533 PolarHBondContact O-CE1 3.34Å; K502-H533 PolarHBondContact O-ND1 3.07Å; K502-H533 VanDerWaalsContact O-ND1 3.07Å; G527-H533 VanDerWaalsContact CA-O 3.24Å; G527-H533 WeakPolarHBondContact CA-O 3.42Å; D528-H533 PolarHBondContact N-O 3.29Å; S531-H533 PolarHBondContact O-N 2.84Å; S531-H533 PolarHBondContact OG-N 2.87Å; H533-M535 HydrophobicContact CB-CE 4.38Å; H533-M535 HydrophobicContact CB-CG 4.47Å; H533-E550 IonicContact CG-OE1 3.69Å; H533-E550 IonicContact ND1-OE1 3.27Å
534	L	97.5	Very high	94.9	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.9	167.3	-73.7	169.8	0	0	0	109.1	G532 I551 M553 Y568 I572 F575 F585	G532-L534 PolarHBondContact O-N 3.18Å; L534-I551 HydrophobicContact CB-CB 3.78Å; L534-I551 HydrophobicContact CB-CG2 4.02Å; L534-I551 WeakPolarHBondContact O-CB 3.46Å; L534-I551 PolarHBondContact O-N 3.02Å; L534-M553 HydrophobicContact CD1-CE 3.93Å; L534-Y568 HydrophobicContact CD1-CE1 3.96Å; L534-Y568 HydrophobicContact CD1-CE2 4.46Å; L534-I572 HydrophobicContact CD2-CD1 3.69Å; L534-I572 HydrophobicContact CG-CD1 3.86Å; L534-F575 HydrophobicContact CD2-CE1 4.15Å; L534-F575 HydrophobicContact CD2-CZ 3.72Å; L534-F585 HydrophobicContact CD1-CE1 4.01Å; L534-F585 HydrophobicContact CD1-CZ 4.09Å
535	M	97.4	Very high	94.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.8	-169.9	-62.2	170.8	-82.3	0	0	110.4	Y498 I525 F526 D528 H533 Y548	Y498-M535 HydrophobicContact CE1-CE 4.32Å; I525-M535 WeakPolarHBondContact CA-O 3.02Å; F526-M535 HydrophobicContact CD1-CB 4.03Å; F526-M535 WeakPolarHBondContact CD1-O 3.17Å; F526-M535 HydrophobicContact CD2-CB 4.44Å; F526-M535 HydrophobicContact CD2-CE 3.89Å; F526-M535 HydrophobicContact CE1-CB 3.44Å; F526-M535 VanDerWaalsContact CE1-CB 3.44Å; F526-M535 HydrophobicContact CE2-CB 3.97Å; F526-M535 HydrophobicContact CE2-CE 3.5Å; F526-M535 HydrophobicContact CE2-SD 3.84Å; F526-M535 HydrophobicContact CG-CB 4.48Å; F526-M535 HydrophobicContact CZ-CB 3.44Å; F526-M535 VanDerWaalsContact CZ-CB 3.44Å; F526-M535 HydrophobicContact CZ-CE 4.14Å; F526-M535 HydrophobicContact CZ-CG 4.28Å; F526-M535 HydrophobicContact CZ-SD 3.91Å; F526-M535 PolarHBondContact N-O 3.5Å; F526-M535 PolarHBondContact O-N 2.86Å; D528-M535 HydrophobicContact CB-CE 4Å; H533-M535 HydrophobicContact CB-CE 4.38Å; H533-M535 HydrophobicContact CB-CG 4.47Å; M535-Y548 HydrophobicContact CB-CE2 3.95Å; M535-Y548 HydrophobicContact CG-CE2 3.99Å; M535-Y548 VanDerWaalsContact CG-OH 3.29Å; M535-Y548 WeakPolarHBondContact CG-OH 3.4Å; M535-Y548 HydrophobicContact SD-CE2 4.11Å
536	S	97.6	Very high	94.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.9	172.2	62.5	0	0	0	0	112.9	L213 Y524 Y548 N549	L213-S536 WeakPolarHBondContact CD1-OG 3.35Å; Y524-S536 CarbonylContact O-C 3.55Å; Y524-S536 VanDerWaalsContact O-CA 3.22Å; Y524-S536 WeakPolarHBondContact O-CA 3.03Å; S536-Y548 WeakPolarHBondContact O-CA 3.07Å; S536-N549 PolarHBondContact N-O 3.44Å; S536-N549 PolarHBondContact O-N 2.83Å; S536-N549 PolarHBondContact OG-O 3.37Å
537	L	97.8	Very high	94.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.3	165.9	-57.1	173.3	0	0	0	109.1	V459 I495 Y496 Y524 F526 W546 K547 Y548	V459-L537 HydrophobicContact CB-CD1 4.46Å; V459-L537 HydrophobicContact CG1-CD1 4.31Å; I495-L537 HydrophobicContact CD1-CD1 4.13Å; Y496-L537 VanDerWaalsContact CB-CD1 3.46Å; Y496-L537 HydrophobicContact CD1-CD1 4.23Å; Y496-L537 HydrophobicContact CD1-CD2 4.09Å; Y496-L537 HydrophobicContact CD2-CD2 3.89Å; Y496-L537 HydrophobicContact CE2-CD2 4.41Å; Y496-L537 HydrophobicContact CG-CD1 3.99Å; Y496-L537 HydrophobicContact CG-CD2 3.73Å; Y496-L537 HydrophobicContact CG-CG 4.45Å; Y524-L537 HydrophobicContact CD1-CD1 4.19Å; Y524-L537 PolarHBondContact N-O 3.01Å; Y524-L537 PolarHBondContact O-N 3.09Å; F526-L537 HydrophobicContact CE1-CD1 4.17Å; F526-L537 HydrophobicContact CE1-CD2 4.37Å; F526-L537 HydrophobicContact CE1-CG 3.72Å; F526-L537 HydrophobicContact CZ-CD1 4.47Å; F526-L537 HydrophobicContact CZ-CG 4.27Å; L537-W546 HydrophobicContact CB-CE3 3.66Å; L537-W546 HydrophobicContact CB-CZ3 4.18Å; L537-K547 WeakPolarHBondContact CA-O 3.19Å; L537-Y548 HydrophobicContact CD2-CD2 3.99Å
538	K	95.3	Very high	94.2	Very high	82 Å²	82	56.6 Å²	56.6	36%	0.357	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121	171.8	-171	166.8	-171.5	153.8	0	110.1	M523 K547	M523-K538 HydrophobicContact CE-CD 4.17Å; M523-K538 HydrophobicContact CG-CB 4.44Å; M523-K538 HydrophobicContact CG-CD 4.06Å; K538-K547 PolarHBondContact N-O 2.58Å; K538-K547 WeakPolarHBondContact O-CB 3.15Å; K538-K547 PolarHBondContact O-N 3.01Å
539	E	94.5	Very high	94	Very high	57 Å²	57	57.4 Å²	57.4	27%	0.266	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	134.4	177	-168	174.3	-159.7	0	0	110.7	R445 W546	R445-E539 IonicContact CZ-OE2 3.77Å; R445-E539 IonicContact NH1-OE1 3.82Å; R445-E539 IonicContact NH1-OE2 2.74Å; R445-E539 PolarHBondContact NH1-OE2 2.92Å; R445-E539 IonicContact NH2-OE2 2.69Å; E539-W546 HydrophobicContact CB-CD2 4.05Å; E539-W546 HydrophobicContact CB-CE3 3.86Å; E539-W546 HydrophobicContact CB-CH2 3.7Å; E539-W546 HydrophobicContact CB-CZ2 3.83Å; E539-W546 HydrophobicContact CB-CZ3 3.73Å; E539-W546 HydrophobicContact CG-CD2 4.42Å; E539-W546 HydrophobicContact CG-CH2 4.37Å; E539-W546 HydrophobicContact CG-CZ2 4Å
540	N	92.1	Very high	93.9	Very high	74 Å²	74	57.8 Å²	57.8	40%	0.396	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	102.4	162.5	-178.1	-15.1	0	0	0	108.5	N542 S543 G544 E545	N540-N542 PolarHBondContact O-N 3.39Å; N540-N542 PolarHBondContact OD1-N 2.84Å; N540-N542 VanDerWaalsContact OD1-N 3.16Å; N540-S543 WeakPolarHBondContact CB-OG 3.22Å; N540-S543 PolarHBondContact ND2-OG 3.5Å; N540-S543 PolarHBondContact O-N 2.94Å; N540-G544 WeakPolarHBondContact O-CA 3.05Å; N540-G544 PolarHBondContact O-N 2.88Å; N540-E545 PolarHBondContact N-O 3.39Å
541	T	85.8	Confident	94.1	Very high	82 Å²	82	54 Å²	54	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21	-174.5	56.7	0	0	0	0	113.9	E441	E441-T541 WeakPolarHBondContact OE1-CG2 3.34Å
542	N	88.9	Confident	94	Very high	156 Å²	156	53.3 Å²	53.3	83%	0.834	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-32.4	176.4	-61.4	-57.8	0	0	0	113.2	N540	N540-N542 PolarHBondContact O-N 3.39Å; N540-N542 PolarHBondContact OD1-N 2.84Å; N540-N542 VanDerWaalsContact OD1-N 3.16Å
543	S	92.1	Very high	93.9	Very high	64 Å²	64	54.3 Å²	54.3	45%	0.448	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-17.2	-176.6	63.3	0	0	0	0	114.3	N540 E545	N540-S543 WeakPolarHBondContact CB-OG 3.22Å; N540-S543 PolarHBondContact ND2-OG 3.5Å; N540-S543 PolarHBondContact O-N 2.94Å; S543-E545 PolarHBondContact O-N 3.17Å; S543-E545 WeakPolarHBondContact OG-CB 3.04Å; S543-E545 PolarHBondContact OG-N 3.21Å
544	G	87.3	Confident	93.4	Very high	41 Å²	41	50.8 Å²	50.8	42%	0.423	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	3.8	-169.9	0	0	0	0	0	114	N540	N540-G544 WeakPolarHBondContact O-CA 3.05Å; N540-G544 PolarHBondContact O-N 2.88Å
545	E	93	Very high	92.5	Very high	138 Å²	138	56.2 Å²	56.2	65%	0.645	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.1	-179	-67.2	-179.3	160	0	0	111.8	N540 S543	N540-E545 PolarHBondContact N-O 3.39Å; S543-E545 PolarHBondContact O-N 3.17Å; S543-E545 WeakPolarHBondContact OG-CB 3.04Å; S543-E545 PolarHBondContact OG-N 3.21Å
546	W	95.1	Very high	91.4	Very high	51 Å²	51	57.7 Å²	57.7	19%	0.193	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.2	177.6	-70.4	89.1	0	0	0	111.4	F447 I461 I495 L537 E539	F447-W546 AromaticContact CE1-CH2 3.46Å; F447-W546 HydrophobicContact CE1-CH2 3.46Å; F447-W546 VanDerWaalsContact CE1-CH2 3.46Å; F447-W546 AromaticContact CE1-CZ2 3.97Å; F447-W546 HydrophobicContact CE1-CZ2 3.97Å; F447-W546 HydrophobicContact CE1-CZ3 4.2Å; F447-W546 AromaticContact CZ-CH2 3.66Å; F447-W546 HydrophobicContact CZ-CH2 3.66Å; F447-W546 HydrophobicContact CZ-CZ2 4.2Å; I461-W546 HydrophobicContact CD1-CZ2 3.8Å; I495-W546 HydrophobicContact CB-CG 4.38Å; I495-W546 HydrophobicContact CD1-CD2 4.1Å; I495-W546 HydrophobicContact CD1-CE3 4.44Å; I495-W546 HydrophobicContact CD1-CH2 4.31Å; I495-W546 HydrophobicContact CD1-CZ2 4.01Å; L537-W546 HydrophobicContact CB-CE3 3.66Å; L537-W546 HydrophobicContact CB-CZ3 4.18Å; E539-W546 HydrophobicContact CB-CD2 4.05Å; E539-W546 HydrophobicContact CB-CE3 3.86Å; E539-W546 HydrophobicContact CB-CH2 3.7Å; E539-W546 HydrophobicContact CB-CZ2 3.83Å; E539-W546 HydrophobicContact CB-CZ3 3.73Å; E539-W546 HydrophobicContact CG-CD2 4.42Å; E539-W546 HydrophobicContact CG-CH2 4.37Å; E539-W546 HydrophobicContact CG-CZ2 4Å
547	K	94.8	Very high	90.1	Very high	128 Å²	128	63.9 Å²	63.9	56%	0.557	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	119.2	175.3	-175.9	177.2	-179.4	174.8	0	110.7	L537 K538	L537-K547 WeakPolarHBondContact CA-O 3.19Å; K538-K547 PolarHBondContact N-O 2.58Å; K538-K547 WeakPolarHBondContact O-CB 3.15Å; K538-K547 PolarHBondContact O-N 3.01Å
548	Y	95.3	Very high	89	Confident	59 Å²	59	65 Å²	65	23%	0.231	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.1	173	178.9	-96.8	0	0	0	112.7	Y496 K502 M535 S536 L537 E550	Y496-Y548 HydrophobicContact CE1-CD2 4Å; Y496-Y548 HydrophobicContact CE1-CE2 4.06Å; Y496-Y548 AromaticContact CE2-CD2 3.72Å; Y496-Y548 HydrophobicContact CE2-CD2 3.72Å; Y496-Y548 HydrophobicContact CE2-CE2 4.42Å; Y496-Y548 HydrophobicContact CE2-CG 4.18Å; Y496-Y548 AromaticContact CZ-CD2 3.4Å; Y496-Y548 AromaticContact CZ-CE2 3.65Å; Y496-Y548 VanDerWaalsContact OH-CD2 3.27Å; Y496-Y548 WeakPolarHBondContact OH-CD2 3.43Å; Y496-Y548 WeakPolarHBondContact OH-CE2 3.48Å; K502-Y548 WeakPolarHBondContact CE-OH 3.49Å; K502-Y548 VanDerWaalsContact NZ-CE1 3.27Å; K502-Y548 PolarHBondContact NZ-OH 3.07Å; M535-Y548 HydrophobicContact CB-CE2 3.95Å; M535-Y548 HydrophobicContact CG-CE2 3.99Å; M535-Y548 VanDerWaalsContact CG-OH 3.29Å; M535-Y548 WeakPolarHBondContact CG-OH 3.4Å; M535-Y548 HydrophobicContact SD-CE2 4.11Å; S536-Y548 WeakPolarHBondContact O-CA 3.07Å; L537-Y548 HydrophobicContact CD2-CD2 3.99Å; Y548-E550 VanDerWaalsContact OH-CD 3.23Å; Y548-E550 PolarHBondContact OH-OE2 2.83Å
549	N	94.6	Very high	88.2	Confident	16 Å²	16	61.1 Å²	61.1	9%	0.086	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142.1	160.5	-46.2	-100.9	0	0	0	110.2	K207 L213 S536	K207-N549 PolarHBondContact NZ-OD1 2.82Å; L213-N549 HydrophobicContact CD1-CB 3.62Å; L213-N549 HydrophobicContact CG-CB 3.89Å; S536-N549 PolarHBondContact N-O 3.44Å; S536-N549 PolarHBondContact O-N 2.83Å; S536-N549 PolarHBondContact OG-O 3.37Å
550	E	95.4	Very high	87.3	Confident	51 Å²	51	59.7 Å²	59.7	24%	0.238	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	148.2	164.8	-153.1	74.7	-148.6	0	0	109.9	C212 L213 K502 H533 Y548	C212-E550 HydrophobicContact CB-CB 4.14Å; L213-E550 PolarHBondContact N-O 3.17Å; K502-E550 IonicContact NZ-OE2 3.67Å; H533-E550 IonicContact CG-OE1 3.69Å; H533-E550 IonicContact ND1-OE1 3.27Å; Y548-E550 VanDerWaalsContact OH-CD 3.23Å; Y548-E550 PolarHBondContact OH-OE2 2.83Å
551	I	96.1	Very high	86.3	Confident	9 Å²	9	59 Å²	59	5%	0.046	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.6	169.3	-62.5	172.8	0	0	0	108.4	L213 L215 I525 L534 M553	L213-I551 HydrophobicContact CB-CG1 4.31Å; L213-I551 HydrophobicContact CD1-CG1 4.48Å; L213-I551 WeakPolarHBondContact O-CA 3.49Å; L215-I551 HydrophobicContact CB-CG2 4.12Å; L215-I551 HydrophobicContact CD1-CD1 4.05Å; L215-I551 HydrophobicContact CD1-CG1 4.41Å; L215-I551 HydrophobicContact CD1-CG2 3.66Å; L215-I551 HydrophobicContact CG-CG2 3.9Å; I525-I551 HydrophobicContact CB-CD1 4.48Å; I525-I551 HydrophobicContact CD1-CD1 4.44Å; I525-I551 HydrophobicContact CG1-CD1 4.14Å; I525-I551 HydrophobicContact CG2-CD1 3.73Å; L534-I551 HydrophobicContact CB-CB 3.78Å; L534-I551 HydrophobicContact CB-CG2 4.02Å; L534-I551 WeakPolarHBondContact O-CB 3.46Å; L534-I551 PolarHBondContact O-N 3.02Å; I551-M553 HydrophobicContact CG2-CE 4.4Å
552	C	93.4	Very high	85.6	Confident	29 Å²	29	60.1 Å²	60.1	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	158.4	-179.9	34.9	0	0	0	0	109.2	C212 L213 Q214 L215	C212-C552 VanDerWaalsContact C-SG 3.56Å; C212-C552 HydrophobicContact CB-CB 4.26Å; C212-C552 WeakPolarHBondContact CB-SG 3.23Å; C212-C552 VanDerWaalsContact SG-CA 3.56Å; C212-C552 WeakPolarHBondContact SG-CB 3.49Å; C212-C552 PolarHBondContact SG-N 2.87Å; C212-C552 CovalentContact SG-SG 2.04Å; C212-C552 PolarHBondContact SG-SG 3.06Å; L213-C552 PolarHBondContact O-N 2.71Å; Q214-C552 WeakPolarHBondContact CA-O 3.4Å; L215-C552 PolarHBondContact N-O 3.36Å
553	M	93.2	Very high	85.2	Confident	24 Å²	24	55.1 Å²	55.1	12%	0.118	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.1	175.7	-59.8	-63.3	95.8	0	0	110.5	L215 L217 L534 I551 M555 N566 Y568	L215-M553 CarbonylContact O-C 3.47Å; L215-M553 WeakPolarHBondContact O-CA 3.23Å; L217-M553 HydrophobicContact CD1-CE 4.43Å; L217-M553 HydrophobicContact CD1-SD 3.59Å; L217-M553 VanDerWaalsContact CD1-SD 3.59Å; L217-M553 HydrophobicContact CD2-CE 4.41Å; L217-M553 HydrophobicContact CD2-SD 4.34Å; L217-M553 HydrophobicContact CG-CE 4.33Å; L217-M553 HydrophobicContact CG-SD 3.64Å; L534-M553 HydrophobicContact CD1-CE 3.93Å; I551-M553 HydrophobicContact CG2-CE 4.4Å; M553-M555 PolarHBondContact O-N 2.75Å; M553-N566 HydrophobicContact CB-CB 3.99Å; M553-N566 WeakPolarHBondContact CB-O 3.41Å; M553-N566 WeakPolarHBondContact CG-O 3.33Å; M553-Y568 HydrophobicContact CE-CD1 4.42Å; M553-Y568 HydrophobicContact CE-CE1 3.93Å; M553-Y568 HydrophobicContact CG-CD1 4.07Å; M553-Y568 HydrophobicContact CG-CE1 3.79Å; M553-Y568 HydrophobicContact SD-CD1 3.79Å; M553-Y568 HydrophobicContact SD-CE1 3.77Å
554	G	83.9	Confident	84.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-62.2	130.7	175.8	0	0	0	0	0	111.6	L215 C559 N566	L215-G554 PolarHBondContact O-N 2.63Å; G554-C559 VanDerWaalsContact CA-SG 3.54Å; G554-C559 PolarHBondContact O-SG 3.12Å; G554-N566 WeakPolarHBondContact O-CB 3.33Å; G554-N566 PolarHBondContact O-ND2 3.26Å
555	M	80	Confident	85.1	Confident	118 Å²	118	50.9 Å²	50.9	58%	0.581	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-103.9	160.2	179.2	-63.8	-65.2	-65.1	0	0	111.1	M553 L557 T558	M553-M555 PolarHBondContact O-N 2.75Å; M555-L557 PolarHBondContact O-N 3.34Å; M555-T558 WeakPolarHBondContact O-CB 3.43Å; M555-T558 PolarHBondContact O-N 3.15Å; M555-T558 PolarHBondContact O-OG1 3.2Å
556	G	73.4	Confident	85.1	Confident	32 Å²	32	44.9 Å²	44.9	33%	0.33	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	57.1	-136.6	-177.2	0	0	0	0	0	111.2	T558 V640	G556-T558 PolarHBondContact O-N 2.95Å; G556-T558 VanDerWaalsContact O-N 3.07Å; G556-V640 WeakPolarHBondContact O-CG2 3.21Å
557	L	70.1	Confident	85	Confident	130 Å²	130	43.7 Å²	43.7	68%	0.681	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-69.6	-6.5	-175.5	-59	178.7	0	0	0	115	M555 C559 A560 V640	M555-L557 PolarHBondContact O-N 3.34Å; L557-C559 VanDerWaalsContact C-N 3.31Å; L557-C559 PolarHBondContact O-N 3.27Å; L557-A560 HydrophobicContact CB-CB 4.4Å; L557-A560 HydrophobicContact CD2-CB 4.02Å; L557-A560 PolarHBondContact O-N 2.99Å; L557-V640 HydrophobicContact CD2-CG1 4.4Å
558	T	74.4	Confident	85.1	Confident	24 Å²	24	40.1 Å²	40.1	15%	0.147	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.6	-40.3	-176.2	-50.5	0	0	0	0	113	Q214 M555 G556 P606	Q214-T558 HydrophobicContact CB-CG2 4.44Å; M555-T558 WeakPolarHBondContact O-CB 3.43Å; M555-T558 PolarHBondContact O-N 3.15Å; M555-T558 PolarHBondContact O-OG1 3.2Å; G556-T558 PolarHBondContact O-N 2.95Å; G556-T558 VanDerWaalsContact O-N 3.07Å; T558-P606 HydrophobicContact CG2-CG 3.99Å
559	C	79	Confident	85.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-108.6	11.8	178.5	-58.3	0	0	0	0	112.7	C216 G554 L557 F561 N566 L637	C216-C559 VanDerWaalsContact CA-SG 3.59Å; C216-C559 HydrophobicContact CB-CB 3.87Å; C216-C559 WeakPolarHBondContact CB-SG 2.94Å; C216-C559 WeakPolarHBondContact SG-CA 3.41Å; C216-C559 WeakPolarHBondContact SG-CB 3.44Å; C216-C559 CovalentContact SG-SG 2.03Å; C216-C559 PolarHBondContact SG-SG 3.02Å; G554-C559 VanDerWaalsContact CA-SG 3.54Å; G554-C559 PolarHBondContact O-SG 3.12Å; L557-C559 VanDerWaalsContact C-N 3.31Å; L557-C559 PolarHBondContact O-N 3.27Å; C559-F561 PolarHBondContact O-N 2.96Å; C559-N566 HydrophobicContact CB-CB 4.2Å; C559-L637 HydrophobicContact CB-CD1 3.63Å
560	A	74.7	Confident	85	Confident	27 Å²	27	43.5 Å²	43.5	22%	0.223	25%	0.251	C	S	.	.			trans	-76.7	55.1	-178.5	0	0	0	0	0	112.2	L557 L637 V640 L642	L557-A560 HydrophobicContact CB-CB 4.4Å; L557-A560 HydrophobicContact CD2-CB 4.02Å; L557-A560 PolarHBondContact O-N 2.99Å; A560-L637 HydrophobicContact CB-CD2 4.15Å; A560-V640 HydrophobicContact CB-CG1 4.28Å; A560-L642 HydrophobicContact CB-CD2 4.14Å
561	F	71.9	Confident	85.1	Confident	59 Å²	59	44.2 Å²	44.2	26%	0.259	25%	0.252	S	S	.	.	S	Bend	trans	-124.4	150	173.5	-60.6	-88.6	0	0	0	110.2	K58 C559 G563 L564 P606	K58-F561 HydrophobicContact CD-CB 3.91Å; K58-F561 HydrophobicContact CD-CD1 3.67Å; K58-F561 HydrophobicContact CD-CD2 4.32Å; K58-F561 HydrophobicContact CD-CE1 4.23Å; K58-F561 HydrophobicContact CD-CG 3.72Å; K58-F561 HydrophobicContact CG-CD1 3.93Å; K58-F561 HydrophobicContact CG-CE1 4.14Å; K58-F561 HydrophobicContact CG-CG 4.48Å; C559-F561 PolarHBondContact O-N 2.96Å; F561-G563 PolarHBondContact O-N 3.28Å; F561-L564 HydrophobicContact CB-CD1 4.01Å; F561-L564 HydrophobicContact CB-CG 4.27Å; F561-L564 HydrophobicContact CD2-CD1 4Å; F561-L564 HydrophobicContact CG-CD1 4.37Å; F561-L564 PolarHBondContact O-N 3.19Å; F561-P606 HydrophobicContact CE2-CB 4.14Å
562	P	71.8	Confident	85.2	Confident	106 Å²	106	43.8 Å²	43.8	69%	0.688	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	131	177.8	-27.7	34.7	0	0	0	112.3	K58 L564	K58-P562 PolarHBondContact NZ-O 3.13Å; K58-P562 VanDerWaalsContact NZ-O 3.12Å; P562-L564 VanDerWaalsContact C-N 3.27Å; P562-L564 PolarHBondContact O-N 3.18Å
563	G	79.1	Confident	85.3	Confident	51 Å²	51	42.5 Å²	42.5	53%	0.526	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	-4	178.6	0	0	0	0	0	116.3	F561	F561-G563 PolarHBondContact O-N 3.28Å
564	L	87.4	Confident	85.5	Confident	10 Å²	10	41.4 Å²	41.4	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	143.3	176.2	-60.9	-171.9	0	0	0	111.6	C216 L217 E218 F561 P562 V604	C216-L564 HydrophobicContact CB-CB 4.34Å; C216-L564 HydrophobicContact CB-CD1 4.09Å; L217-L564 CarbonylContact O-C 3.51Å; L217-L564 VanDerWaalsContact O-CA 3.3Å; L217-L564 WeakPolarHBondContact O-CA 3.5Å; E218-L564 HydrophobicContact CB-CD2 4.1Å; F561-L564 HydrophobicContact CB-CD1 4.01Å; F561-L564 HydrophobicContact CB-CG 4.27Å; F561-L564 HydrophobicContact CD2-CD1 4Å; F561-L564 HydrophobicContact CG-CD1 4.37Å; F561-L564 PolarHBondContact O-N 3.19Å; P562-L564 VanDerWaalsContact C-N 3.27Å; P562-L564 PolarHBondContact O-N 3.18Å; L564-V604 HydrophobicContact CD1-CG1 4.05Å; L564-V604 HydrophobicContact CD2-CB 4.24Å; L564-V604 HydrophobicContact CD2-CG1 4Å; L564-V604 HydrophobicContact CD2-CG2 4Å
565	I	91.4	Very high	86.2	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	164.9	177.2	66.2	179.9	0	0	0	110	L217 E219 Y601 E635	L217-I565 HydrophobicContact CB-CD1 4.44Å; L217-I565 HydrophobicContact CB-CG1 3.83Å; L217-I565 PolarHBondContact N-O 2.68Å; L217-I565 PolarHBondContact O-N 2.62Å; E219-I565 HydrophobicContact CB-CD1 4.42Å; I565-Y601 HydrophobicContact CD1-CD1 3.94Å; I565-Y601 HydrophobicContact CD1-CE1 3.72Å; I565-E635 HydrophobicContact CD1-CB 3.79Å
566	N	92.1	Very high	87.1	Confident	11 Å²	11	35.8 Å²	35.8	6%	0.059	21%	0.208	C	C	.	.	S	Bend	trans	-127.2	26.9	-177.1	67.4	-17.5	0	0	0	112.5	M553 G554 C559 L637 I638	M553-N566 HydrophobicContact CB-CB 3.99Å; M553-N566 WeakPolarHBondContact CB-O 3.41Å; M553-N566 WeakPolarHBondContact CG-O 3.33Å; G554-N566 WeakPolarHBondContact O-CB 3.33Å; G554-N566 PolarHBondContact O-ND2 3.26Å; C559-N566 HydrophobicContact CB-CB 4.2Å; N566-L637 HydrophobicContact CB-CD1 3.87Å; N566-I638 PolarHBondContact ND2-O 3.11Å; N566-I638 PolarHBondContact OD1-N 3.14Å
567	N	94	Very high	88.2	Confident	27 Å²	27	35.6 Å²	35.6	14%	0.144	20%	0.199	C	C	.	.			trans	-148.5	159.6	179.7	64.8	88.6	0	0	0	110.1	N636 I638	N567-N636 PolarHBondContact ND2-O 3.01Å; N567-I638 HydrophobicContact CB-CD1 3.87Å; N567-I638 WeakPolarHBondContact ND2-CD1 3.3Å
568	Y	96.2	Very high	89.4	Confident	53 Å²	53	30 Å²	30	21%	0.208	17%	0.17	C	C	.	.			trans	-160.1	160.1	177.8	57.5	-82.2	0	0	0	109.2	L217 G532 L534 M553 I572 F585	L217-Y568 HydrophobicContact CD1-CD1 3.53Å; L217-Y568 HydrophobicContact CD1-CE1 4.46Å; L217-Y568 HydrophobicContact CD1-CG 3.94Å; G532-Y568 WeakPolarHBondContact O-CE2 3.15Å; G532-Y568 PolarHBondContact O-OH 2.04Å; L534-Y568 HydrophobicContact CD1-CE1 3.96Å; L534-Y568 HydrophobicContact CD1-CE2 4.46Å; M553-Y568 HydrophobicContact CE-CD1 4.42Å; M553-Y568 HydrophobicContact CE-CE1 3.93Å; M553-Y568 HydrophobicContact CG-CD1 4.07Å; M553-Y568 HydrophobicContact CG-CE1 3.79Å; M553-Y568 HydrophobicContact SD-CD1 3.79Å; M553-Y568 HydrophobicContact SD-CE1 3.77Å; Y568-I572 HydrophobicContact CE2-CD1 3.98Å; Y568-I572 HydrophobicContact CE2-CG1 4.09Å; Y568-F585 HydrophobicContact CD1-CZ 4.28Å; Y568-F585 AromaticContact CD2-CE2 3.83Å; Y568-F585 HydrophobicContact CD2-CE2 3.83Å; Y568-F585 HydrophobicContact CD2-CZ 4.01Å; Y568-F585 HydrophobicContact CE2-CE2 4.48Å; Y568-F585 HydrophobicContact CG-CE2 4.08Å; Y568-F585 AromaticContact CG-CZ 3.87Å; Y568-F585 HydrophobicContact CG-CZ 3.87Å
569	Y	95.8	Very high	90.4	Very high	79 Å²	79	29.8 Å²	29.8	31%	0.31	17%	0.167	S	C	.	.			trans	-67.6	141.7	174.4	-68.1	-73.6	0	0	0	111.8	Y571 S587 T588 G589 V599 Y601 E635	Y569-Y571 PolarHBondContact O-N 2.8Å; Y569-S587 PolarHBondContact N-OG 3.13Å; Y569-S587 WeakPolarHBondContact O-CB 3Å; Y569-S587 PolarHBondContact O-OG 3.44Å; Y569-T588 VanDerWaalsContact CB-O 3.31Å; Y569-T588 WeakPolarHBondContact CB-O 3.36Å; Y569-G589 VanDerWaalsContact CD1-CA 3.46Å; Y569-V599 HydrophobicContact CD2-CB 4.48Å; Y569-V599 HydrophobicContact CD2-CG2 3.88Å; Y569-V599 HydrophobicContact CE2-CG2 3.72Å; Y569-Y601 WeakPolarHBondContact CD2-OH 2.76Å; Y569-E635 WeakPolarHBondContact CE2-OE1 3.38Å; Y569-E635 PolarHBondContact OH-OE1 2.84Å
570	P	92.3	Very high	91	Very high	66 Å²	66	31.3 Å²	31.3	43%	0.429	18%	0.177	S	C	.	.	S	Bend	trans	-68.4	-28.6	-168.1	26.1	-35.2	0	0	0	114.1	G532 I572	G532-P570 WeakPolarHBondContact CA-O 3.46Å; G532-P570 PolarHBondContact N-O 2.72Å; P570-I572 PolarHBondContact O-N 3.37Å
571	Y	97.3	Very high	91.9	Very high	66 Å²	66	30.1 Å²	30.1	26%	0.259	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	90.6	-176.3	-60.3	-70.1	0	0	0	111.6	F529 M530 Y569 I573 S587 T588 P591	F529-Y571 HydrophobicContact CE1-CD1 4.25Å; F529-Y571 HydrophobicContact CE2-CD1 4.22Å; F529-Y571 HydrophobicContact CE2-CG 4.35Å; F529-Y571 HydrophobicContact CZ-CD1 4Å; F529-Y571 HydrophobicContact CZ-CG 4.45Å; F529-Y571 VanDerWaalsContact O-CA 3.31Å; F529-Y571 WeakPolarHBondContact O-CA 3.19Å; F529-Y571 WeakPolarHBondContact O-CD1 3.03Å; M530-Y571 HydrophobicContact SD-CE1 4.41Å; Y569-Y571 PolarHBondContact O-N 2.8Å; Y571-I573 PolarHBondContact O-N 3.45Å; Y571-I573 VanDerWaalsContact O-N 3.15Å; Y571-S587 CarbonylContact O-C 3.44Å; Y571-S587 WeakPolarHBondContact O-CA 3.34Å; Y571-S587 WeakPolarHBondContact O-CB 3.38Å; Y571-T588 WeakPolarHBondContact CB-O 3.45Å; Y571-T588 VanDerWaalsContact CD2-O 3.31Å; Y571-T588 WeakPolarHBondContact CD2-O 3.14Å; Y571-T588 PolarHBondContact O-N 3.4Å; Y571-P591 HydrophobicContact CD1-CG 4.39Å; Y571-P591 HydrophobicContact CD2-CG 4.2Å; Y571-P591 HydrophobicContact CE1-CG 4.39Å; Y571-P591 HydrophobicContact CE2-CG 4.21Å; Y571-P591 HydrophobicContact CG-CB 4.47Å; Y571-P591 HydrophobicContact CG-CG 4.3Å
572	I	97.9	Very high	93	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	100.3	178.3	-58.4	169.8	0	0	0	109.6	T507 F529 G532 L534 Y568 P570 F575 F585 M586	T507-I572 HydrophobicContact CG2-CG2 4.36Å; T507-I572 WeakPolarHBondContact CG2-O 3.36Å; T507-I572 PolarHBondContact OG1-O 3.39Å; F529-I572 WeakPolarHBondContact CA-O 3.43Å; F529-I572 WeakPolarHBondContact CB-O 3.22Å; G532-I572 WeakPolarHBondContact O-CD1 3.4Å; L534-I572 HydrophobicContact CD2-CD1 3.69Å; L534-I572 HydrophobicContact CG-CD1 3.86Å; Y568-I572 HydrophobicContact CE2-CD1 3.98Å; Y568-I572 HydrophobicContact CE2-CG1 4.09Å; P570-I572 PolarHBondContact O-N 3.37Å; I572-F575 HydrophobicContact CG2-CD2 4.4Å; I572-F575 HydrophobicContact CG2-CE2 3.58Å; I572-F575 HydrophobicContact CG2-CZ 3.99Å; I572-F585 HydrophobicContact CG1-CD2 4.49Å; I572-F585 HydrophobicContact CG2-CD2 4.18Å; I572-M586 CarbonylContact C-O 3.13Å
573	I	95.9	Very high	94.3	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-41.4	-173.1	-60.8	156.5	0	0	0	111.9	N226 P227 L228 W428 T507 F529 Y571 M586 T588	N226-I573 WeakPolarHBondContact OD1-CD1 3.49Å; P227-I573 HydrophobicContact CG-CD1 4.32Å; P227-I573 WeakPolarHBondContact O-CG2 3.32Å; L228-I573 HydrophobicContact CD2-CG2 3.28Å; L228-I573 HydrophobicContact CG-CG2 4.43Å; W428-I573 PolarHBondContact NE1-O 3.17Å; T507-I573 VanDerWaalsContact CG2-C 3.44Å; T507-I573 VanDerWaalsContact CG2-O 3.25Å; T507-I573 WeakPolarHBondContact CG2-O 3.31Å; F529-I573 HydrophobicContact CE2-CG1 4.35Å; Y571-I573 PolarHBondContact O-N 3.45Å; Y571-I573 VanDerWaalsContact O-N 3.15Å; I573-M586 HydrophobicContact CB-CB 4.45Å; I573-M586 PolarHBondContact N-O 3.1Å; I573-T588 HydrophobicContact CD1-CG2 3.5Å; I573-T588 VanDerWaalsContact CD1-CG2 3.5Å; I573-T588 HydrophobicContact CG1-CG2 3.86Å
574	S	97.6	Very high	95.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	167.2	-167	-178.4	0	0	0	0	112.1	L228 R429 F585 M586	L228-S574 WeakPolarHBondContact O-CB 3.15Å; L228-S574 PolarHBondContact O-OG 2.98Å; R429-S574 WeakPolarHBondContact CD-OG 3.27Å; R429-S574 PolarHBondContact NE-OG 2.79Å; S574-F585 CarbonylContact O-C 3.56Å; S574-F585 WeakPolarHBondContact O-CA 3.23Å; S574-F585 WeakPolarHBondContact O-CB 3.49Å; S574-M586 VanDerWaalsContact CB-CE 3.46Å; S574-M586 PolarHBondContact N-O 3.35Å; S574-M586 PolarHBondContact O-N 2.84Å; S574-M586 VanDerWaalsContact OG-CE 3.22Å; S574-M586 WeakPolarHBondContact OG-CE 3.39Å
575	F	98.5	Very high	95.7	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.2	174.2	-74.2	-102.6	0	0	0	110.6	T507 G508 Y510 I525 F526 G527 L534 I572 L583 Y584 F585	T507-F575 HydrophobicContact CG2-CD2 4.03Å; T507-F575 HydrophobicContact CG2-CE2 4.16Å; G508-F575 WeakPolarHBondContact O-CD2 3.48Å; G508-F575 WeakPolarHBondContact O-CE2 3.38Å; Y510-F575 HydrophobicContact CD2-CB 3.54Å; Y510-F575 HydrophobicContact CE2-CB 3.67Å; Y510-F575 VanDerWaalsContact CE2-O 3.3Å; Y510-F575 WeakPolarHBondContact CE2-O 3.31Å; I525-F575 HydrophobicContact CG2-CE1 4.31Å; F526-F575 VanDerWaalsContact C-CZ 3.47Å; G527-F575 VanDerWaalsContact N-CE2 3.3Å; G527-F575 VanDerWaalsContact N-CZ 3.33Å; L534-F575 HydrophobicContact CD2-CE1 4.15Å; L534-F575 HydrophobicContact CD2-CZ 3.72Å; I572-F575 HydrophobicContact CG2-CD2 4.4Å; I572-F575 HydrophobicContact CG2-CE2 3.58Å; I572-F575 HydrophobicContact CG2-CZ 3.99Å; F575-L583 HydrophobicContact CD1-CD1 4.2Å; F575-Y584 WeakPolarHBondContact CA-O 3.29Å; F575-F585 HydrophobicContact CD1-CB 3.62Å; F575-F585 HydrophobicContact CD2-CB 4.41Å; F575-F585 HydrophobicContact CE1-CB 3.61Å; F575-F585 HydrophobicContact CE1-CG 4.33Å; F575-F585 HydrophobicContact CE2-CB 4.39Å; F575-F585 HydrophobicContact CG-CB 4.03Å; F575-F585 HydrophobicContact CZ-CB 4.01Å
576	A	97.9	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	161	178.3	0	0	0	0	0	111.7	M230 L583 Y584 M586	M230-A576 HydrophobicContact CB-CB 3.57Å; M230-A576 HydrophobicContact CG-CB 3.83Å; M230-A576 WeakPolarHBondContact O-CB 3.42Å; M230-A576 HydrophobicContact SD-CB 4.17Å; A576-L583 WeakPolarHBondContact O-CD1 3.24Å; A576-Y584 PolarHBondContact N-O 3.44Å; A576-Y584 PolarHBondContact O-N 2.66Å; A576-M586 HydrophobicContact CB-CE 4Å
577	E	96.3	Very high	96.3	Very high	28 Å²	28	19.6 Å²	19.6	13%	0.131	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	152.5	163.7	63.8	175.6	-149.1	0	0	110.4	H232 R434 Y510 E582	H232-E577 PolarHBondContact CD2-O 3.24Å; H232-E577 IonicContact NE2-OE1 3.12Å; R434-E577 VanDerWaalsContact CD-OE1 3.31Å; R434-E577 WeakPolarHBondContact CD-OE1 3.32Å; R434-E577 IonicContact CZ-OE1 3.33Å; R434-E577 IonicContact NE-OE1 3.5Å; R434-E577 IonicContact NH1-OE1 3.87Å; R434-E577 PolarHBondContact NH1-OE1 3.07Å; Y510-E577 HydrophobicContact CD1-CB 4.15Å; Y510-E577 HydrophobicContact CD1-CG 4.01Å; Y510-E577 HydrophobicContact CE1-CB 4.27Å; Y510-E577 HydrophobicContact CE1-CG 3.81Å; E577-E582 CarbonylContact C-O 3.56Å; E577-E582 WeakPolarHBondContact CA-O 3.49Å
578	D	96.2	Very high	96.5	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.07	9%	0.088	C	C	.	.			trans	-86.5	178.3	167.6	75.4	4.9	0	0	0	111.9	H232 R434 S580 G581 E582 Y584	H232-D578 PolarHBondContact CD2-O 3.13Å; R434-D578 PolarHBondContact NH1-O 3.3Å; D578-S580 PolarHBondContact O-N 3.39Å; D578-S580 VanDerWaalsContact O-N 3.16Å; D578-S580 VanDerWaalsContact OD1-CA 3.31Å; D578-S580 WeakPolarHBondContact OD1-CA 3.31Å; D578-S580 VanDerWaalsContact OD1-CB 3.32Å; D578-S580 WeakPolarHBondContact OD1-CB 3.27Å; D578-S580 PolarHBondContact OD1-N 2.92Å; D578-G581 PolarHBondContact O-N 2.83Å; D578-G581 PolarHBondContact OD1-N 2.88Å; D578-E582 PolarHBondContact N-O 3.04Å; D578-E582 PolarHBondContact OD1-N 3.05Å; D578-Y584 HydrophobicContact CB-CD2 4.46Å; D578-Y584 HydrophobicContact CB-CE2 3.63Å; D578-Y584 PolarHBondContact OD2-OH 2.99Å
579	E	95.5	Very high	96.4	Very high	19 Å²	19	17 Å²	17	9%	0.089	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.7	-179.3	-171.1	165.4	-170.8	0	0	112.8	H232 N234 D235 G236 H238 R434	H232-E579 HydrophobicContact CB-CB 4.05Å; N234-E579 VanDerWaalsContact CA-OE1 3.23Å; N234-E579 WeakPolarHBondContact CA-OE1 3.38Å; D235-E579 PolarHBondContact N-OE1 2.93Å; G236-E579 VanDerWaalsContact CA-OE1 3.23Å; G236-E579 WeakPolarHBondContact CA-OE1 3.49Å; G236-E579 PolarHBondContact N-OE1 3.33Å; H238-E579 WeakPolarHBondContact CA-OE2 3.29Å; H238-E579 IonicContact CD2-OE2 3.57Å; H238-E579 IonicContact CG-OE2 3.97Å; H238-E579 PolarHBondContact N-OE2 3.22Å; R434-E579 PolarHBondContact NH2-O 3.21Å
580	S	91.4	Very high	96.4	Very high	32 Å²	32	15.7 Å²	15.7	22%	0.224	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.8	176.8	-61.4	0	0	0	0	113.6	H238 D578 Y617	H238-S580 PolarHBondContact CE1-OG 3.37Å; H238-S580 PolarHBondContact ND1-OG 2.77Å; D578-S580 PolarHBondContact O-N 3.39Å; D578-S580 VanDerWaalsContact O-N 3.16Å; D578-S580 VanDerWaalsContact OD1-CA 3.31Å; D578-S580 WeakPolarHBondContact OD1-CA 3.31Å; D578-S580 VanDerWaalsContact OD1-CB 3.32Å; D578-S580 WeakPolarHBondContact OD1-CB 3.27Å; D578-S580 PolarHBondContact OD1-N 2.92Å; S580-Y617 WeakPolarHBondContact OG-CD1 3.37Å; S580-Y617 VanDerWaalsContact OG-CE1 3.23Å; S580-Y617 WeakPolarHBondContact OG-CE1 3.45Å
581	G	93.1	Very high	96.5	Very high	2 Å²	2	13.1 Å²	13.1	2%	0.021	8%	0.075	C	C	.	.			trans	85	9.6	-178.2	0	0	0	0	0	114.1	G514 D578	G514-G581 VanDerWaalsContact CA-C 3.4Å; G514-G581 WeakPolarHBondContact CA-O 3.38Å; G514-G581 PolarHBondContact N-O 2.99Å; D578-G581 PolarHBondContact O-N 2.83Å; D578-G581 PolarHBondContact OD1-N 2.88Å
582	E	95.6	Very high	96.4	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	7%	0.065	C	C	.	.			trans	-68.8	145.3	172.8	-59.1	-52.1	137.4	0	0	110.3	Y512 G514 C515 E516 H517 E577 D578 Y584	Y512-E582 PolarHBondContact OH-OE1 2.91Å; Y512-E582 PolarHBondContact OH-OE2 3.2Å; G514-E582 WeakPolarHBondContact CA-OE1 3.48Å; C515-E582 PolarHBondContact N-OE1 3.07Å; E516-E582 HydrophobicContact CG-CG 4.35Å; E516-E582 PolarHBondContact N-OE1 2.9Å; H517-E582 IonicContact CD2-OE2 3.01Å; E577-E582 CarbonylContact C-O 3.56Å; E577-E582 WeakPolarHBondContact CA-O 3.49Å; D578-E582 PolarHBondContact N-O 3.04Å; D578-E582 PolarHBondContact OD1-N 3.05Å; E582-Y584 HydrophobicContact CB-CE2 3.86Å; E582-Y584 VanDerWaalsContact O-CD2 3.25Å; E582-Y584 WeakPolarHBondContact O-CD2 3.14Å; E582-Y584 VanDerWaalsContact O-CE2 3.25Å; E582-Y584 WeakPolarHBondContact O-CE2 3.15Å
583	L	98.1	Very high	96.3	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136	-170.6	179.3	63.3	0	0	0	112	Y510 Y512 I525 F575 A576 V603	Y510-L583 HydrophobicContact CD2-CD1 4.3Å; Y510-L583 HydrophobicContact CG-CD1 4.16Å; Y512-L583 HydrophobicContact CD2-CB 3.64Å; Y512-L583 HydrophobicContact CD2-CD2 4.39Å; Y512-L583 HydrophobicContact CE2-CB 4.11Å; I525-L583 HydrophobicContact CB-CD2 3.63Å; I525-L583 HydrophobicContact CD1-CD2 3.78Å; I525-L583 HydrophobicContact CG1-CD2 4.24Å; I525-L583 HydrophobicContact CG2-CD2 3.8Å; F575-L583 HydrophobicContact CD1-CD1 4.2Å; A576-L583 WeakPolarHBondContact O-CD1 3.24Å; L583-V603 HydrophobicContact CB-CB 4.46Å; L583-V603 HydrophobicContact CD2-CB 4.45Å; L583-V603 HydrophobicContact CD2-CG2 4.17Å; L583-V603 HydrophobicContact CG-CB 4.46Å; L583-V603 HydrophobicContact CG-CG2 4.1Å; L583-V603 PolarHBondContact O-N 3.35Å
584	Y	98.7	Very high	96.2	Very high	19 Å²	19	13.7 Å²	13.7	8%	0.075	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154.8	178.4	-57.6	-103.5	0	0	0	110.4	V220 M230 F575 A576 D578 E582 I600 Y601 K602	V220-Y584 HydrophobicContact CB-CE1 4.39Å; V220-Y584 HydrophobicContact CG1-CD1 4.48Å; V220-Y584 HydrophobicContact CG1-CE1 4.11Å; V220-Y584 HydrophobicContact CG2-CD1 3.98Å; V220-Y584 HydrophobicContact CG2-CE1 3.68Å; M230-Y584 HydrophobicContact CE-CD1 4Å; M230-Y584 HydrophobicContact CE-CD2 3.8Å; M230-Y584 HydrophobicContact CE-CE1 4.18Å; M230-Y584 HydrophobicContact CE-CE2 4.06Å; M230-Y584 HydrophobicContact CE-CG 3.81Å; M230-Y584 HydrophobicContact SD-CD1 4.37Å; M230-Y584 HydrophobicContact SD-CG 4.15Å; F575-Y584 WeakPolarHBondContact CA-O 3.29Å; A576-Y584 PolarHBondContact N-O 3.44Å; A576-Y584 PolarHBondContact O-N 2.66Å; D578-Y584 HydrophobicContact CB-CD2 4.46Å; D578-Y584 HydrophobicContact CB-CE2 3.63Å; D578-Y584 PolarHBondContact OD2-OH 2.99Å; E582-Y584 HydrophobicContact CB-CE2 3.86Å; E582-Y584 VanDerWaalsContact O-CD2 3.25Å; E582-Y584 WeakPolarHBondContact O-CD2 3.14Å; E582-Y584 VanDerWaalsContact O-CE2 3.25Å; E582-Y584 WeakPolarHBondContact O-CE2 3.15Å; Y584-I600 HydrophobicContact CD1-CG2 4.1Å; Y584-Y601 CarbonylContact C-O 3.35Å; Y584-Y601 WeakPolarHBondContact CA-O 3.47Å; Y584-K602 HydrophobicContact CD1-CB 3.74Å; Y584-K602 HydrophobicContact CD1-CG 4.28Å; Y584-K602 HydrophobicContact CE1-CB 3.56Å; Y584-K602 HydrophobicContact CE1-CD 4.11Å; Y584-K602 HydrophobicContact CE1-CG 3.86Å
585	F	98.7	Very high	96.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.4	164.3	72.6	-90.2	0	0	0	111.4	L217 L534 Y568 I572 S574 F575 I600 Y601 V603	L217-F585 HydrophobicContact CD1-CE1 4.01Å; L217-F585 HydrophobicContact CD1-CZ 3.64Å; L217-F585 HydrophobicContact CD2-CE1 3.51Å; L217-F585 HydrophobicContact CD2-CZ 4.05Å; L217-F585 HydrophobicContact CG-CE1 4.42Å; L534-F585 HydrophobicContact CD1-CE1 4.01Å; L534-F585 HydrophobicContact CD1-CZ 4.09Å; Y568-F585 HydrophobicContact CD1-CZ 4.28Å; Y568-F585 AromaticContact CD2-CE2 3.83Å; Y568-F585 HydrophobicContact CD2-CE2 3.83Å; Y568-F585 HydrophobicContact CD2-CZ 4.01Å; Y568-F585 HydrophobicContact CE2-CE2 4.48Å; Y568-F585 HydrophobicContact CG-CE2 4.08Å; Y568-F585 AromaticContact CG-CZ 3.87Å; Y568-F585 HydrophobicContact CG-CZ 3.87Å; I572-F585 HydrophobicContact CG1-CD2 4.49Å; I572-F585 HydrophobicContact CG2-CD2 4.18Å; S574-F585 CarbonylContact O-C 3.56Å; S574-F585 WeakPolarHBondContact O-CA 3.23Å; S574-F585 WeakPolarHBondContact O-CB 3.49Å; F575-F585 HydrophobicContact CD1-CB 3.62Å; F575-F585 HydrophobicContact CD2-CB 4.41Å; F575-F585 HydrophobicContact CE1-CB 3.61Å; F575-F585 HydrophobicContact CE1-CG 4.33Å; F575-F585 HydrophobicContact CE2-CB 4.39Å; F575-F585 HydrophobicContact CG-CB 4.03Å; F575-F585 HydrophobicContact CZ-CB 4.01Å; F585-I600 WeakPolarHBondContact O-CA 3.26Å; F585-Y601 HydrophobicContact CD2-CD2 4.14Å; F585-Y601 HydrophobicContact CE1-CG 4.44Å; F585-Y601 AromaticContact CE2-CD2 3.56Å; F585-Y601 HydrophobicContact CE2-CD2 3.56Å; F585-Y601 HydrophobicContact CE2-CE2 4.29Å; F585-Y601 HydrophobicContact CE2-CG 4.18Å; F585-Y601 AromaticContact CZ-CD2 3.82Å; F585-Y601 HydrophobicContact CZ-CD2 3.82Å; F585-Y601 AromaticContact CZ-CG 3.96Å; F585-Y601 HydrophobicContact CZ-CG 3.96Å; F585-Y601 PolarHBondContact N-O 3.31Å; F585-Y601 PolarHBondContact O-N 3.13Å; F585-V603 HydrophobicContact CD1-CG2 3.86Å; F585-V603 HydrophobicContact CE1-CG2 4.19Å
586	M	98.4	Very high	95.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.9	178.9	-76.7	151.7	-81.2	0	0	108.3	P227 M230 I572 I573 S574 A576 V599 I600	P227-M586 HydrophobicContact CB-CG 4.06Å; P227-M586 HydrophobicContact CB-SD 4.12Å; P227-M586 HydrophobicContact CG-CB 4.14Å; P227-M586 HydrophobicContact CG-CG 4.09Å; M230-M586 HydrophobicContact CB-CE 4Å; M230-M586 HydrophobicContact CB-SD 4.14Å; I572-M586 CarbonylContact C-O 3.13Å; I573-M586 HydrophobicContact CB-CB 4.45Å; I573-M586 PolarHBondContact N-O 3.1Å; S574-M586 VanDerWaalsContact CB-CE 3.46Å; S574-M586 PolarHBondContact N-O 3.35Å; S574-M586 PolarHBondContact O-N 2.84Å; S574-M586 VanDerWaalsContact OG-CE 3.22Å; S574-M586 WeakPolarHBondContact OG-CE 3.39Å; A576-M586 HydrophobicContact CB-CE 4Å; M586-V599 WeakPolarHBondContact CA-O 3.45Å; M586-I600 HydrophobicContact CG-CD1 4.22Å; M586-I600 HydrophobicContact CG-CG1 3.77Å
587	S	97.8	Very high	95.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	163.8	169.6	81.1	0	0	0	0	112.4	Y569 Y571 G598 V599 Y601	Y569-S587 PolarHBondContact N-OG 3.13Å; Y569-S587 WeakPolarHBondContact O-CB 3Å; Y569-S587 PolarHBondContact O-OG 3.44Å; Y571-S587 CarbonylContact O-C 3.44Å; Y571-S587 WeakPolarHBondContact O-CA 3.34Å; Y571-S587 WeakPolarHBondContact O-CB 3.38Å; S587-G598 CarbonylContact O-C 3.54Å; S587-G598 WeakPolarHBondContact O-CA 3.38Å; S587-V599 PolarHBondContact N-O 3.27Å; S587-V599 PolarHBondContact O-N 3.27Å; S587-Y601 VanDerWaalsContact OG-CE2 3.25Å; S587-Y601 WeakPolarHBondContact OG-CE2 3.07Å
588	T	96.9	Very high	95.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150	-179.3	-175.5	0	0	0	0	111.9	Y569 Y571 I573 T590 P591 S597	Y569-T588 VanDerWaalsContact CB-O 3.31Å; Y569-T588 WeakPolarHBondContact CB-O 3.36Å; Y571-T588 WeakPolarHBondContact CB-O 3.45Å; Y571-T588 VanDerWaalsContact CD2-O 3.31Å; Y571-T588 WeakPolarHBondContact CD2-O 3.14Å; Y571-T588 PolarHBondContact O-N 3.4Å; I573-T588 HydrophobicContact CD1-CG2 3.5Å; I573-T588 VanDerWaalsContact CD1-CG2 3.5Å; I573-T588 HydrophobicContact CG1-CG2 3.86Å; T588-T590 VanDerWaalsContact C-N 3.33Å; T588-T590 WeakPolarHBondContact CG2-O 3.4Å; T588-T590 PolarHBondContact OG1-N 3.14Å; T588-T590 VanDerWaalsContact OG1-N 3.09Å; T588-T590 PolarHBondContact OG1-O 2.74Å; T588-P591 HydrophobicContact CG2-CB 4.22Å; T588-S597 WeakPolarHBondContact CA-O 3.5Å; T588-S597 PolarHBondContact OG1-O 3.13Å; T588-S597 PolarHBondContact OG1-OG 3.04Å
589	G	94.8	Very high	96	Very high	27 Å²	27	18.1 Å²	18.1	28%	0.278	12%	0.12	S	C	.	.	S	Bend	trans	-75.3	-23.4	167.5	0	0	0	0	0	113.1	Y569 S597	Y569-G589 VanDerWaalsContact CD1-CA 3.46Å; G589-S597 PolarHBondContact N-O 3.12Å
590	T	95.1	Very high	96.1	Very high	50 Å²	50	17.2 Å²	17.2	31%	0.307	12%	0.115	S	C	.	.	S	Bend	trans	-139.9	113.3	-177.7	-48.2	0	0	0	0	109.9	T588 S592 A595 S597	T588-T590 VanDerWaalsContact C-N 3.33Å; T588-T590 WeakPolarHBondContact CG2-O 3.4Å; T588-T590 PolarHBondContact OG1-N 3.14Å; T588-T590 VanDerWaalsContact OG1-N 3.09Å; T588-T590 PolarHBondContact OG1-O 2.74Å; T590-S592 PolarHBondContact O-N 3.42Å; T590-A595 HydrophobicContact CG2-CB 3.9Å; T590-S597 WeakPolarHBondContact CB-OG 3.24Å; T590-S597 PolarHBondContact N-OG 2.8Å; T590-S597 VanDerWaalsContact N-OG 3.11Å
591	P	94.5	Very high	96.5	Very high	13 Å²	13	15.7 Å²	15.7	8%	0.084	11%	0.105	C	C	.	.			trans	-81.9	61.9	-175.9	33.9	-34.9	0	0	0	111.8	E276 G277 F529 Y571 T588	E276-P591 WeakPolarHBondContact CA-O 3.45Å; G277-P591 PolarHBondContact N-O 3.5Å; F529-P591 HydrophobicContact CE2-CB 4Å; F529-P591 HydrophobicContact CZ-CB 3.52Å; F529-P591 HydrophobicContact CZ-CG 4.18Å; Y571-P591 HydrophobicContact CD1-CG 4.39Å; Y571-P591 HydrophobicContact CD2-CG 4.2Å; Y571-P591 HydrophobicContact CE1-CG 4.39Å; Y571-P591 HydrophobicContact CE2-CG 4.21Å; Y571-P591 HydrophobicContact CG-CB 4.47Å; Y571-P591 HydrophobicContact CG-CG 4.3Å; T588-P591 HydrophobicContact CG2-CB 4.22Å
592	S	96.1	Very high	96.7	Very high	8 Å²	8	16 Å²	16	6%	0.056	11%	0.106	C	C	.	.			trans	-127.7	136.1	178.3	169.3	0	0	0	0	109.5	S274 T590 T594 A595	S274-S592 PolarHBondContact O-OG 3.19Å; T590-S592 PolarHBondContact O-N 3.42Å; S592-T594 PolarHBondContact O-N 3.32Å; S592-T594 PolarHBondContact OG-OG1 3.22Å; S592-A595 PolarHBondContact O-N 2.72Å; S592-A595 VanDerWaalsContact O-N 3.11Å
593	A	94.7	Very high	96.8	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-30	-178.6	0	0	0	0	0	113.4	R225 Q245 V246 T272 S273	R225-A593 WeakPolarHBondContact CB-O 3.46Å; Q245-A593 HydrophobicContact CB-CB 4.08Å; Q245-A593 HydrophobicContact CG-CB 3.83Å; V246-A593 HydrophobicContact CG1-CB 4.31Å; V246-A593 WeakPolarHBondContact CG1-O 3.45Å; T272-A593 HydrophobicContact CG2-CB 4.4Å; T272-A593 VanDerWaalsContact OG1-CB 3.22Å; T272-A593 WeakPolarHBondContact OG1-CB 3.01Å; S273-A593 VanDerWaalsContact O-CB 3.28Å; S273-A593 WeakPolarHBondContact O-CB 3.47Å
594	T	93.4	Very high	96.5	Very high	72 Å²	72	16.7 Å²	16.7	44%	0.442	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-13.8	-174.6	53.5	0	0	0	0	114.6	S274 S592	S274-T594 WeakPolarHBondContact CB-OG1 3.37Å; S592-T594 PolarHBondContact O-N 3.32Å; S592-T594 PolarHBondContact OG-OG1 3.22Å
595	A	95.7	Very high	96	Very high	16 Å²	16	15.9 Å²	15.9	13%	0.132	11%	0.107	C	C	.	.			trans	-78.5	123	-175.3	0	0	0	0	0	111.1	R225 T590 S592 S597	R225-A595 WeakPolarHBondContact CA-O 3.32Å; T590-A595 HydrophobicContact CG2-CB 3.9Å; S592-A595 PolarHBondContact O-N 2.72Å; S592-A595 VanDerWaalsContact O-N 3.11Å; A595-S597 PolarHBondContact O-N 3.05Å
596	P	95.7	Very high	95	Very high	85 Å²	85	16.2 Å²	16.2	55%	0.552	11%	0.109	S	C	*	.			trans	-86.3	47.4	-176.9	37.4	-37	0	0	0	112.2	G223 L224 R225	G223-P596 WeakPolarHBondContact CA-O 3.23Å; L224-P596 CarbonylContact O-C 2.96Å; L224-P596 WeakPolarHBondContact O-CA 3.36Å; R225-P596 HydrophobicContact CG-CB 4.23Å
597	S	95.4	Very high	94	Very high	29 Å²	29	16.6 Å²	16.6	20%	0.203	11%	0.111	C	C	.	.			trans	-109.5	11.9	-178.1	52.2	0	0	0	0	113.5	L224 T588 G589 T590 A595	L224-S597 PolarHBondContact O-N 3.47Å; T588-S597 WeakPolarHBondContact CA-O 3.5Å; T588-S597 PolarHBondContact OG1-O 3.13Å; T588-S597 PolarHBondContact OG1-OG 3.04Å; G589-S597 PolarHBondContact N-O 3.12Å; T590-S597 WeakPolarHBondContact CB-OG 3.24Å; T590-S597 PolarHBondContact N-OG 2.8Å; T590-S597 VanDerWaalsContact N-OG 3.11Å; A595-S597 PolarHBondContact O-N 3.05Å
598	G	97.7	Very high	92.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	139.4	177.4	0	0	0	0	0	113.1	N222 G223 L224 S587	N222-G598 CarbonylContact C-O 3.54Å; G223-G598 PolarHBondContact N-O 2.9Å; L224-G598 WeakPolarHBondContact CB-O 3.36Å; L224-G598 PolarHBondContact N-O 3Å; L224-G598 VanDerWaalsContact O-CA 3.32Å; L224-G598 WeakPolarHBondContact O-CA 3.26Å; L224-G598 PolarHBondContact O-N 3.3Å; S587-G598 CarbonylContact O-C 3.54Å; S587-G598 WeakPolarHBondContact O-CA 3.38Å
599	V	98.3	Very high	91.9	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.024	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.3	-179	-174.9	0	0	0	0	110	E219 A221 N222 Y569 M586 S587 Y601	E219-V599 HydrophobicContact CG-CG1 3.64Å; A221-V599 CarbonylContact O-C 3.52Å; A221-V599 VanDerWaalsContact O-CA 3.28Å; A221-V599 WeakPolarHBondContact O-CA 3.43Å; A221-V599 WeakPolarHBondContact O-CG1 3.31Å; N222-V599 HydrophobicContact CB-CG1 4.49Å; N222-V599 HydrophobicContact CB-CG2 4.16Å; Y569-V599 HydrophobicContact CD2-CB 4.48Å; Y569-V599 HydrophobicContact CD2-CG2 3.88Å; Y569-V599 HydrophobicContact CE2-CG2 3.72Å; M586-V599 WeakPolarHBondContact CA-O 3.45Å; S587-V599 PolarHBondContact N-O 3.27Å; S587-V599 PolarHBondContact O-N 3.27Å; V599-Y601 HydrophobicContact CB-CD2 4.5Å; V599-Y601 HydrophobicContact CB-CE1 4.49Å; V599-Y601 HydrophobicContact CB-CE2 3.62Å; V599-Y601 WeakPolarHBondContact CB-OH 3.37Å; V599-Y601 HydrophobicContact CG1-CD1 4.27Å; V599-Y601 HydrophobicContact CG1-CD2 4.22Å; V599-Y601 HydrophobicContact CG1-CE1 3.67Å; V599-Y601 HydrophobicContact CG1-CE2 3.58Å; V599-Y601 WeakPolarHBondContact CG1-OH 3.48Å
600	I	98.6	Very high	90.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.4	172.9	-54.8	-175	0	0	0	109	V220 A221 L224 M230 V242 Y584 F585 M586	V220-I600 HydrophobicContact CB-CB 4.46Å; V220-I600 HydrophobicContact CB-CG2 4.32Å; V220-I600 PolarHBondContact N-O 3.04Å; A221-I600 HydrophobicContact CB-CB 4.16Å; A221-I600 HydrophobicContact CB-CD1 4.06Å; A221-I600 HydrophobicContact CB-CG1 4.11Å; A221-I600 PolarHBondContact O-N 3.36Å; L224-I600 HydrophobicContact CD1-CD1 3.84Å; L224-I600 HydrophobicContact CD1-CG1 3.7Å; M230-I600 HydrophobicContact CB-CD1 4.46Å; M230-I600 HydrophobicContact SD-CD1 4.08Å; M230-I600 HydrophobicContact SD-CG2 3.83Å; V242-I600 HydrophobicContact CB-CD1 4.29Å; V242-I600 HydrophobicContact CG1-CD1 3.79Å; V242-I600 HydrophobicContact CG2-CD1 3.46Å; V242-I600 VanDerWaalsContact CG2-CD1 3.46Å; Y584-I600 HydrophobicContact CD1-CG2 4.1Å; F585-I600 WeakPolarHBondContact O-CA 3.26Å; M586-I600 HydrophobicContact CG-CD1 4.22Å; M586-I600 HydrophobicContact CG-CG1 3.77Å
601	Y	98.5	Very high	89.4	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.9	179.3	-56.5	-85.4	0	0	0	110.2	L217 E218 I565 Y569 Y584 F585 S587 V599	L217-Y601 HydrophobicContact CB-CD1 4.2Å; L217-Y601 HydrophobicContact CD1-CD1 4.05Å; L217-Y601 HydrophobicContact CD1-CG 4.14Å; E218-Y601 CarbonylContact O-C 3.47Å; E218-Y601 WeakPolarHBondContact O-CA 3.33Å; I565-Y601 HydrophobicContact CD1-CD1 3.94Å; I565-Y601 HydrophobicContact CD1-CE1 3.72Å; Y569-Y601 WeakPolarHBondContact CD2-OH 2.76Å; Y584-Y601 CarbonylContact C-O 3.35Å; Y584-Y601 WeakPolarHBondContact CA-O 3.47Å; F585-Y601 HydrophobicContact CD2-CD2 4.14Å; F585-Y601 HydrophobicContact CE1-CG 4.44Å; F585-Y601 AromaticContact CE2-CD2 3.56Å; F585-Y601 HydrophobicContact CE2-CD2 3.56Å; F585-Y601 HydrophobicContact CE2-CE2 4.29Å; F585-Y601 HydrophobicContact CE2-CG 4.18Å; F585-Y601 AromaticContact CZ-CD2 3.82Å; F585-Y601 HydrophobicContact CZ-CD2 3.82Å; F585-Y601 AromaticContact CZ-CG 3.96Å; F585-Y601 HydrophobicContact CZ-CG 3.96Å; F585-Y601 PolarHBondContact N-O 3.31Å; F585-Y601 PolarHBondContact O-N 3.13Å; S587-Y601 VanDerWaalsContact OG-CE2 3.25Å; S587-Y601 WeakPolarHBondContact OG-CE2 3.07Å; V599-Y601 HydrophobicContact CB-CD2 4.5Å; V599-Y601 HydrophobicContact CB-CE1 4.49Å; V599-Y601 HydrophobicContact CB-CE2 3.62Å; V599-Y601 WeakPolarHBondContact CB-OH 3.37Å; V599-Y601 HydrophobicContact CG1-CD1 4.27Å; V599-Y601 HydrophobicContact CG1-CD2 4.22Å; V599-Y601 HydrophobicContact CG1-CE1 3.67Å; V599-Y601 HydrophobicContact CG1-CE2 3.58Å; V599-Y601 WeakPolarHBondContact CG1-OH 3.48Å
602	K	97.9	Very high	87.9	Confident	10 Å²	10	20.6 Å²	20.6	4%	0.043	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	134.8	164.6	-176.8	177.1	173.3	177.5	0	109.2	L217 E218 V220 E516 Y584 V604	L217-K602 WeakPolarHBondContact CA-O 3.33Å; E218-K602 HydrophobicContact CB-CB 4.27Å; E218-K602 PolarHBondContact N-O 3.44Å; E218-K602 PolarHBondContact O-N 3.18Å; V220-K602 HydrophobicContact CG2-CB 3.84Å; E516-K602 IonicContact OE1-NZ 2.87Å; E516-K602 PolarHBondContact OE1-NZ 3.1Å; E516-K602 IonicContact OE2-NZ 3.96Å; E516-K602 PolarHBondContact OE2-NZ 2.86Å; Y584-K602 HydrophobicContact CD1-CB 3.74Å; Y584-K602 HydrophobicContact CD1-CG 4.28Å; Y584-K602 HydrophobicContact CE1-CB 3.56Å; Y584-K602 HydrophobicContact CE1-CD 4.11Å; Y584-K602 HydrophobicContact CE1-CG 3.86Å; K602-V604 HydrophobicContact CG-CG2 4.45Å
603	V	96.9	Very high	86.4	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.024	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.6	176.4	-179.2	0	0	0	0	109.9	L215 L217 L520 L583 F585	L215-V603 HydrophobicContact CD1-CG1 3.62Å; L217-V603 HydrophobicContact CD2-CG2 4.49Å; L520-V603 HydrophobicContact CD1-CG1 4.27Å; L583-V603 HydrophobicContact CB-CB 4.46Å; L583-V603 HydrophobicContact CD2-CB 4.45Å; L583-V603 HydrophobicContact CD2-CG2 4.17Å; L583-V603 HydrophobicContact CG-CB 4.46Å; L583-V603 HydrophobicContact CG-CG2 4.1Å; L583-V603 PolarHBondContact O-N 3.35Å; F585-V603 HydrophobicContact CD1-CG2 3.86Å; F585-V603 HydrophobicContact CE1-CG2 4.19Å
604	V	92.1	Very high	85.3	Confident	12 Å²	12	33.9 Å²	33.9	7%	0.073	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.4	-174.7	177.8	0	0	0	0	110.6	C216 E218 L564 K602 P606	C216-V604 HydrophobicContact CB-CB 4.49Å; C216-V604 PolarHBondContact N-O 3.33Å; C216-V604 WeakPolarHBondContact O-CB 3.37Å; C216-V604 PolarHBondContact O-N 2.88Å; E218-V604 HydrophobicContact CB-CG2 4.29Å; L564-V604 HydrophobicContact CD1-CG1 4.05Å; L564-V604 HydrophobicContact CD2-CB 4.24Å; L564-V604 HydrophobicContact CD2-CG1 4Å; L564-V604 HydrophobicContact CD2-CG2 4Å; K602-V604 HydrophobicContact CG-CG2 4.45Å; V604-P606 VanDerWaalsContact O-CD 3.31Å; V604-P606 WeakPolarHBondContact O-CD 3.47Å
605	D	89.5	Confident	84.5	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.011	15%	0.153	C	C	.	.			trans	-88.5	107.2	163.1	177.7	15.7	0	0	0	109.1	L215 H517 N519 L520 S607	L215-D605 HydrophobicContact CD2-CB 4.02Å; H517-D605 HydrophobicContact CB-CB 4.09Å; H517-D605 PolarHBondContact ND1-N 3.03Å; H517-D605 PolarHBondContact ND1-O 3.2Å; N519-D605 WeakPolarHBondContact CB-OD2 3.49Å; N519-D605 PolarHBondContact ND2-OD2 3.39Å; L520-D605 HydrophobicContact CD1-CB 4.23Å; L520-D605 HydrophobicContact CD2-CB 4.32Å; L520-D605 HydrophobicContact CG-CB 4.15Å; D605-S607 PolarHBondContact O-N 3.18Å; D605-S607 WeakPolarHBondContact OD1-CA 3.37Å; D605-S607 WeakPolarHBondContact OD1-CB 3.46Å; D605-S607 PolarHBondContact OD1-N 3.19Å; D605-S607 PolarHBondContact OD1-OG 2.9Å
606	P	77.6	Confident	83.7	Confident	8 Å²	8	37.4 Å²	37.4	5%	0.052	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.8	177.6	33.8	-38.7	0	0	0	112.2	P59 T558 F561 V604	P59-P606 WeakPolarHBondContact CD-O 3.31Å; P59-P606 WeakPolarHBondContact CG-O 3.19Å; T558-P606 HydrophobicContact CG2-CG 3.99Å; F561-P606 HydrophobicContact CE2-CB 4.14Å; V604-P606 VanDerWaalsContact O-CD 3.31Å; V604-P606 WeakPolarHBondContact O-CD 3.47Å
607	S	75.9	Confident	83.1	Confident	7 Å²	7	36.8 Å²	36.8	5%	0.049	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.2	-171.7	-30	0	0	0	0	113.2	P60 R204 Q206 D605	P60-S607 VanDerWaalsContact CD-O 3.3Å; P60-S607 WeakPolarHBondContact CD-O 3.31Å; R204-S607 WeakPolarHBondContact O-CB 3.44Å; R204-S607 PolarHBondContact O-OG 2.79Å; Q206-S607 PolarHBondContact N-OG 2.88Å; Q206-S607 VanDerWaalsContact N-OG 3.09Å; D605-S607 PolarHBondContact O-N 3.18Å; D605-S607 WeakPolarHBondContact OD1-CA 3.37Å; D605-S607 WeakPolarHBondContact OD1-CB 3.46Å; D605-S607 PolarHBondContact OD1-N 3.19Å; D605-S607 PolarHBondContact OD1-OG 2.9Å
608	R	76.6	Confident	82.7	Confident	58 Å²	58	43.4 Å²	43.4	22%	0.219	19%	0.192	C	C	.	.			trans	-160.6	128.3	178	-160.9	-175.4	173.9	175.6	-7	111.2	P59 P60 P518 N519	P59-R608 WeakPolarHBondContact O-CA 3.19Å; P60-R608 WeakPolarHBondContact O-CG 3.48Å; P518-R608 HydrophobicContact CG-CG 4.14Å; N519-R608 WeakPolarHBondContact ND2-CB 3.08Å; N519-R608 WeakPolarHBondContact OD1-CD 3.08Å; N519-R608 PolarHBondContact OD1-NH1 3.14Å
609	R	74.9	Confident	82.5	Confident	75 Å²	75	45.9 Å²	45.9	28%	0.283	21%	0.208	S	C	.	.			trans	-112.8	169.1	168.8	-170.6	174.1	-158.9	-172.6	6.4	110.7	K58 P59 F61 E516	K58-R609 WeakPolarHBondContact O-CB 3.37Å; P59-R609 PolarHBondContact O-N 3.02Å; F61-R609 HydrophobicContact CD1-CB 4.46Å; F61-R609 WeakPolarHBondContact CD1-O 3.45Å; F61-R609 HydrophobicContact CE1-CB 3.6Å; F61-R609 HydrophobicContact CE1-CG 4.09Å; F61-R609 HydrophobicContact CZ-CB 4.36Å; E516-R609 CarbonylContact O-C 3.55Å; E516-R609 WeakPolarHBondContact O-CA 3.42Å; E516-R609 WeakPolarHBondContact O-CG 3.46Å; E516-R609 IonicContact OE2-CZ 3.39Å; E516-R609 IonicContact OE2-NE 3.43Å; E516-R609 IonicContact OE2-NH2 2.72Å; E516-R609 PolarHBondContact OE2-NH2 3.37Å
610	A	70.3	Confident	82.4	Confident	9 Å²	9	49.5 Å²	49.5	7%	0.074	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-81.4	151	171.7	0	0	0	0	0	111.9	F61 C515 E516 C615	F61-A610 WeakPolarHBondContact CD1-O 3.38Å; F61-A610 WeakPolarHBondContact CE1-O 3.06Å; C515-A610 WeakPolarHBondContact O-CB 3.29Å; E516-A610 PolarHBondContact O-N 3.43Å; A610-C615 WeakPolarHBondContact CB-SG 3.28Å
611	P	67.8	Low	82.2	Confident	19 Å²	19	55 Å²	55	12%	0.123	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-46.9	144.2	-177.2	-28.7	30.3	0	0	0	113.6	F61 R613 R614	F61-P611 HydrophobicContact CB-CG 4.23Å; P611-R613 PolarHBondContact O-N 3.07Å; P611-R614 HydrophobicContact CB-CB 4.16Å; P611-R614 WeakPolarHBondContact O-CB 3Å; P611-R614 PolarHBondContact O-N 2.85Å
612	P	61.4	Low	82.1	Confident	13 Å²	13	56.6 Å²	56.6	8%	0.084	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	141.7	177.7	-29.6	38.8	0	0	0	111.8	Q53 F57 F61 R614	Q53-P612 HydrophobicContact CG-CG 3.93Å; F57-P612 HydrophobicContact CB-CB 4.47Å; F57-P612 HydrophobicContact CB-CG 3.69Å; F57-P612 HydrophobicContact CD1-CB 3.85Å; F57-P612 HydrophobicContact CD1-CG 4Å; F57-P612 HydrophobicContact CD2-CB 3.68Å; F57-P612 HydrophobicContact CD2-CG 3.58Å; F57-P612 HydrophobicContact CE1-CB 3.94Å; F57-P612 HydrophobicContact CE2-CB 3.78Å; F57-P612 HydrophobicContact CE2-CG 4.2Å; F57-P612 HydrophobicContact CG-CB 3.74Å; F57-P612 HydrophobicContact CG-CG 3.48Å; F57-P612 VanDerWaalsContact CG-CG 3.48Å; F57-P612 HydrophobicContact CZ-CB 3.91Å; F61-P612 HydrophobicContact CD2-CG 4.35Å; F61-P612 HydrophobicContact CE2-CG 4.03Å; F61-P612 HydrophobicContact CZ-CG 4.37Å; P612-R614 PolarHBondContact O-N 3.13Å
613	R	64.7	Low	81.9	Confident	183 Å²	183	65.2 Å²	65.2	69%	0.691	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	-11.7	-176	-54.9	179.3	174.9	172.9	-1.7	116.5	P611 C615 H616	P611-R613 PolarHBondContact O-N 3.07Å; R613-C615 VanDerWaalsContact C-N 3.32Å; R613-C615 PolarHBondContact O-N 3.19Å; R613-H616 WeakPolarHBondContact O-CB 3.48Å; R613-H616 PolarHBondContact O-N 3.27Å; R613-H616 VanDerWaalsContact O-N 3.17Å
614	R	71.8	Confident	81.8	Confident	106 Å²	106	67.7 Å²	67.7	40%	0.4	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-42.4	179.2	-177.2	-177.1	177.6	150.1	1.6	112.2	D64 P611 P612 H616	D64-R614 IonicContact OD1-CZ 2.85Å; D64-R614 IonicContact OD1-NH1 2.87Å; D64-R614 PolarHBondContact OD1-NH1 2.04Å; D64-R614 IonicContact OD1-NH2 2.79Å; D64-R614 IonicContact OD2-CZ 3.21Å; D64-R614 IonicContact OD2-NE 3.08Å; D64-R614 IonicContact OD2-NH1 3.92Å; D64-R614 PolarHBondContact OD2-NH1 3.16Å; D64-R614 IonicContact OD2-NH2 3.53Å; P611-R614 HydrophobicContact CB-CB 4.16Å; P611-R614 WeakPolarHBondContact O-CB 3Å; P611-R614 PolarHBondContact O-N 2.85Å; P612-R614 PolarHBondContact O-N 3.13Å; R614-H616 VanDerWaalsContact C-N 3.33Å
615	C	77.3	Confident	81.9	Confident	27 Å²	27	74.3 Å²	74.3	18%	0.182	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	10	179.5	-52.6	0	0	0	0	112.4	C515 E516 A610 R613	C515-C615 HydrophobicContact CB-CB 3.63Å; C515-C615 WeakPolarHBondContact CB-SG 3.05Å; C515-C615 PolarHBondContact O-SG 3.34Å; C515-C615 WeakPolarHBondContact SG-CA 3.43Å; C515-C615 WeakPolarHBondContact SG-CB 3.2Å; C515-C615 CovalentContact SG-SG 2.03Å; C515-C615 PolarHBondContact SG-SG 3.06Å; E516-C615 HydrophobicContact CG-CB 4.15Å; A610-C615 WeakPolarHBondContact CB-SG 3.28Å; R613-C615 VanDerWaalsContact C-N 3.32Å; R613-C615 PolarHBondContact O-N 3.19Å
616	H	78.8	Confident	82.1	Confident	135 Å²	135	75.2 Å²	75.2	63%	0.625	35%	0.349	S	S	*	.			trans	-73.3	133.9	176.7	-175.4	67.9	0	0	0	109.6	R613 R614	R613-H616 WeakPolarHBondContact O-CB 3.48Å; R613-H616 PolarHBondContact O-N 3.27Å; R613-H616 VanDerWaalsContact O-N 3.17Å; R614-H616 VanDerWaalsContact C-N 3.33Å
617	Y	83.1	Confident	83	Confident	71 Å²	71	80 Å²	80	28%	0.278	38%	0.375	S	S	.	.			trans	-125.2	149.1	173.7	56	-91.6	0	0	0	108.5	H238 S580 P619	H238-Y617 HydrophobicContact CB-CD2 4.32Å; H238-Y617 HydrophobicContact CB-CE2 3.64Å; H238-Y617 AromaticContact CD2-CD2 3.46Å; H238-Y617 VanDerWaalsContact CD2-CD2 3.46Å; H238-Y617 WeakPolarHBondContact CD2-CD2 3.31Å; H238-Y617 AromaticContact CD2-CE2 3.71Å; H238-Y617 AromaticContact CE1-CD1 3.95Å; H238-Y617 AromaticContact CE1-CD2 3.33Å; H238-Y617 WeakPolarHBondContact CE1-CD2 3.14Å; H238-Y617 AromaticContact CE1-CE2 3.63Å; H238-Y617 AromaticContact CE1-CG 3.5Å; H238-Y617 VanDerWaalsContact CE1-CG 3.5Å; H238-Y617 AromaticContact CG-CD2 3.5Å; H238-Y617 AromaticContact CG-CE2 3.23Å; H238-Y617 AromaticContact CG-CZ 3.97Å; H238-Y617 AromaticContact ND1-CD2 3.42Å; H238-Y617 WeakPolarHBondContact ND1-CD2 3.46Å; H238-Y617 AromaticContact ND1-CE2 3.18Å; H238-Y617 WeakPolarHBondContact ND1-CE2 3.17Å; H238-Y617 AromaticContact ND1-CG 3.93Å; H238-Y617 AromaticContact ND1-CZ 3.5Å; H238-Y617 AromaticContact NE2-CD2 3.36Å; H238-Y617 WeakPolarHBondContact NE2-CD2 3.38Å; H238-Y617 AromaticContact NE2-CE2 3.94Å; H238-Y617 AromaticContact NE2-CG 3.74Å; S580-Y617 WeakPolarHBondContact OG-CD1 3.37Å; S580-Y617 VanDerWaalsContact OG-CE1 3.23Å; S580-Y617 WeakPolarHBondContact OG-CE1 3.45Å; Y617-P619 HydrophobicContact CD2-CG 3.8Å; Y617-P619 HydrophobicContact CE2-CG 3.75Å; Y617-P619 WeakPolarHBondContact O-CD 3.32Å
618	E	87.3	Confident	83.9	Confident	168 Å²	168	83 Å²	83	79%	0.785	39%	0.39	S	S	*	.			trans	-102.8	103.2	172.3	-70.9	-176.4	179.7	0	0	108.1
619	P	93.4	Very high	84.9	Confident	53 Å²	53	84.1 Å²	84.1	34%	0.344	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-62.2	141.7	-179.4	-18.2	29.1	0	0	0	111.4	H238 P254 Y617	H238-P619 HydrophobicContact CB-CB 4.45Å; P254-P619 HydrophobicContact CB-CG 4.17Å; P254-P619 HydrophobicContact CG-CB 4.01Å; P254-P619 HydrophobicContact CG-CG 3.95Å; Y617-P619 HydrophobicContact CD2-CG 3.8Å; Y617-P619 HydrophobicContact CE2-CG 3.75Å; Y617-P619 WeakPolarHBondContact O-CD 3.32Å
620	L	95.7	Very high	86	Confident	79 Å²	79	86.2 Å²	86.2	41%	0.414	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-62.6	139.4	168.6	-68.5	179.5	0	0	0	110.2	D235 G236 T237 V622	D235-L620 WeakPolarHBondContact O-CD1 3.41Å; G236-L620 WeakPolarHBondContact O-CB 3.49Å; G236-L620 PolarHBondContact O-N 2.88Å; T237-L620 HydrophobicContact CG2-CB 4.25Å; L620-V622 PolarHBondContact O-N 2.78Å
621	P	94.3	Very high	87.2	Confident	116 Å²	116	87.7 Å²	87.7	75%	0.753	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-58.6	131.5	-177.4	-25.3	33.2	0	0	0	113.2
622	V	95.8	Very high	88.5	Confident	33 Å²	33	91.6 Å²	91.6	20%	0.2	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-97.2	127.7	174.4	179.9	0	0	0	0	110	T237 R239 L253 M323 L620 V624	T237-V622 HydrophobicContact CG2-CG2 4.13Å; R239-V622 HydrophobicContact CG-CG2 3.73Å; L253-V622 HydrophobicContact CD2-CB 4.08Å; L253-V622 HydrophobicContact CD2-CG1 3.8Å; L253-V622 HydrophobicContact CD2-CG2 4.2Å; M323-V622 HydrophobicContact SD-CG1 4.32Å; L620-V622 PolarHBondContact O-N 2.78Å; V622-V624 HydrophobicContact CG1-CG2 4.3Å; V622-V624 PolarHBondContact O-N 2.04Å
623	R	95.1	Very high	90	Very high	191 Å²	191	94.6 Å²	94.6	72%	0.721	46%	0.459	S	S	*	.			trans	-82.5	102.1	174.6	-67.9	-178.8	-177.4	173.6	0.7	110.4	M323 N324	M323-R623 HydrophobicContact SD-CB 4.2Å; N324-R623 PolarHBondContact ND2-O 3.3Å
624	V	95.2	Very high	91.3	Very high	56 Å²	56	91.8 Å²	91.8	34%	0.339	45%	0.454	S	S	.	.			trans	-86.8	127.6	178.7	175.1	0	0	0	0	110.7	L253 L259 V622 S626 L628	L253-V624 HydrophobicContact CD1-CG2 3.89Å; L259-V624 HydrophobicContact CD2-CB 4.38Å; L259-V624 HydrophobicContact CD2-CG1 3.68Å; L259-V624 HydrophobicContact CD2-CG2 4.25Å; V622-V624 HydrophobicContact CG1-CG2 4.3Å; V622-V624 PolarHBondContact O-N 2.04Å; V624-S626 WeakPolarHBondContact CG1-O 3.49Å; V624-L628 HydrophobicContact CG1-CD1 4.32Å; V624-L628 HydrophobicContact CG1-CD2 3.9Å; V624-L628 HydrophobicContact CG1-CG 3.96Å; V624-L628 HydrophobicContact CG2-CD2 4.32Å
625	R	93.6	Very high	92.1	Very high	152 Å²	152	88.7 Å²	88.7	57%	0.574	44%	0.444	S	S	*	.			trans	-121.6	-6.1	178.1	-66.7	-171	176.4	175.7	7.6	114.6	N321	N321-R625 PolarHBondContact O-NH1 3.4Å; N321-R625 PolarHBondContact O-NH2 3.37Å
626	S	93.2	Very high	92.4	Very high	20 Å²	20	93.3 Å²	93.3	14%	0.14	47%	0.467	C	S	.	.	S	Bend	trans	-108.8	169.9	171.6	64.7	0	0	0	0	110.1	L259 V624	L259-S626 WeakPolarHBondContact CD2-OG 3.21Å; V624-S626 WeakPolarHBondContact CG1-O 3.49Å
627	N	95.7	Very high	92.7	Very high	110 Å²	110	88.1 Å²	88.1	59%	0.588	44%	0.444	S	S	*	.			trans	-63.4	153.3	170	-58.5	-44	0	0	0	110.4	E260	E260-N627 HydrophobicContact CB-CB 4.23Å; E260-N627 WeakPolarHBondContact CB-O 3.47Å; E260-N627 PolarHBondContact N-O 3.21Å; E260-N627 WeakPolarHBondContact OE2-CB 3.33Å; E260-N627 PolarHBondContact OE2-ND2 2.99Å
628	L	96.7	Very high	92.7	Very high	70 Å²	70	89.8 Å²	89.8	37%	0.366	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.2	174.2	-67.6	172.9	0	0	0	109.3	L253 L259 V624	L253-L628 HydrophobicContact CD1-CD1 4.26Å; L253-L628 HydrophobicContact CD1-CD2 3.73Å; L253-L628 HydrophobicContact CG-CD2 4.43Å; L259-L628 HydrophobicContact CD2-CD2 4.01Å; L259-L628 HydrophobicContact CG-CD2 4.07Å; V624-L628 HydrophobicContact CG1-CD1 4.32Å; V624-L628 HydrophobicContact CG1-CD2 3.9Å; V624-L628 HydrophobicContact CG1-CG 3.96Å; V624-L628 HydrophobicContact CG2-CD2 4.32Å
629	I	97.1	Very high	91.9	Very high	81 Å²	81	83.7 Å²	83.7	42%	0.415	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.9	172.1	-58.1	171.2	0	0	0	106	S257 K258 E260	S257-I629 CarbonylContact C-O 3.55Å; S257-I629 WeakPolarHBondContact CA-O 3.27Å; K258-I629 HydrophobicContact CB-CB 4.45Å; K258-I629 PolarHBondContact N-O 2.91Å; K258-I629 PolarHBondContact O-N 3.31Å; E260-I629 HydrophobicContact CB-CD1 4.43Å
630	Q	96.9	Very high	90.4	Very high	119 Å²	119	82.6 Å²	82.6	56%	0.556	43%	0.431	S	S	*	.			trans	-68.1	139	177.7	-66.4	-59.2	-34.6	0	0	110.1
631	F	96.5	Very high	88.4	Confident	40 Å²	40	87.4 Å²	87.4	18%	0.175	45%	0.451	C	S	.	.			trans	-77.1	135.3	177	172.9	-111.8	0	0	0	110.1	E219 N222 R256 P633	E219-F631 HydrophobicContact CB-CZ 4.03Å; E219-F631 HydrophobicContact CG-CZ 3.91Å; E219-F631 WeakPolarHBondContact O-CE1 3.42Å; E219-F631 WeakPolarHBondContact O-CZ 3.4Å; N222-F631 WeakPolarHBondContact ND2-CE2 3.34Å; R256-F631 HydrophobicContact CB-CB 3.89Å; R256-F631 HydrophobicContact CB-CD1 4.07Å; R256-F631 HydrophobicContact CB-CG 4.15Å; R256-F631 WeakPolarHBondContact O-CB 3.36Å; F631-P633 HydrophobicContact CD1-CG 4.49Å; F631-P633 HydrophobicContact CE1-CB 4.45Å; F631-P633 HydrophobicContact CE1-CG 3.74Å; F631-P633 HydrophobicContact CZ-CB 4.35Å; F631-P633 HydrophobicContact CZ-CG 4.12Å
632	V	94.6	Very high	86.4	Confident	100 Å²	100	86.3 Å²	86.3	61%	0.606	44%	0.438	S	S	*	.			trans	-131.1	116.2	175.4	-177.6	0	0	0	0	106.8	N222	N222-V632 PolarHBondContact ND2-O 3.04Å
633	P	93	Very high	84	Confident	76 Å²	76	89.3 Å²	89.3	49%	0.494	46%	0.459	S	S	.	.			trans	-57.3	145.5	172.8	-21.3	31.1	0	0	0	111.4	E219 F631	E219-P633 HydrophobicContact CB-CB 4.4Å; E219-P633 WeakPolarHBondContact OE2-CA 3.33Å; F631-P633 HydrophobicContact CD1-CG 4.49Å; F631-P633 HydrophobicContact CE1-CB 4.45Å; F631-P633 HydrophobicContact CE1-CG 3.74Å; F631-P633 HydrophobicContact CZ-CB 4.35Å; F631-P633 HydrophobicContact CZ-CG 4.12Å
634	Q	92.6	Very high	81.3	Confident	124 Å²	124	84.3 Å²	84.3	58%	0.579	46%	0.458	S	S	*	.			trans	-113.9	-27.7	177.1	-70.2	-177.4	-8.1	0	0	112.1	E219	E219-Q634 PolarHBondContact OE1-N 3.35Å; E219-Q634 PolarHBondContact OE2-N 2.92Å
635	E	87.8	Confident	78.5	Confident	41 Å²	41	89.8 Å²	89.8	19%	0.192	48%	0.48	C	S	.	.			trans	-86.3	144.8	179.5	-59.4	-59.2	157.6	0	0	110.8	E219 I565 Y569	E219-E635 PolarHBondContact OE2-N 3.4Å; I565-E635 HydrophobicContact CD1-CB 3.79Å; Y569-E635 WeakPolarHBondContact CE2-OE1 3.38Å; Y569-E635 PolarHBondContact OH-OE1 2.84Å
636	N	84.9	Confident	75.6	Confident	125 Å²	125	89.4 Å²	89.4	67%	0.668	49%	0.49	S	S	*	.			trans	-120.4	159.1	180	-68.6	-59.7	0	0	0	110.9	N567 I638	N567-N636 PolarHBondContact ND2-O 3.01Å; N636-I638 PolarHBondContact O-N 2.95Å
637	L	83.1	Confident	72.7	Confident	26 Å²	26	94.2 Å²	94.2	14%	0.136	52%	0.518	C	S	.	.			trans	-62.4	133.1	170.6	-176.2	69.5	0	0	0	110.2	C559 A560 N566 V640 L642	C559-L637 HydrophobicContact CB-CD1 3.63Å; A560-L637 HydrophobicContact CB-CD2 4.15Å; N566-L637 HydrophobicContact CB-CD1 3.87Å; L637-V640 HydrophobicContact CD2-CB 3.86Å; L637-V640 HydrophobicContact CD2-CG1 4.41Å; L637-V640 HydrophobicContact CD2-CG2 4Å; L637-V640 HydrophobicContact CG-CB 4.42Å; L637-V640 HydrophobicContact CG-CG2 4.46Å; L637-L642 HydrophobicContact CD2-CD1 4.09Å; L637-L642 HydrophobicContact CD2-CD2 4.48Å; L637-L642 HydrophobicContact CD2-CG 4.34Å
638	I	83.6	Confident	69.6	Low	106 Å²	106	93 Å²	93	54%	0.544	52%	0.518	S	S	.	.			trans	-108	141.6	-178.5	-59.9	173.7	0	0	0	110	N566 N567 N636	N566-I638 PolarHBondContact ND2-O 3.11Å; N566-I638 PolarHBondContact OD1-N 3.14Å; N567-I638 HydrophobicContact CB-CD1 3.87Å; N567-I638 WeakPolarHBondContact ND2-CD1 3.3Å; N636-I638 PolarHBondContact O-N 2.95Å
639	G	70.6	Confident	66.4	Low	39 Å²	39	97.9 Å²	97.9	40%	0.402	54%	0.539	S	S	.	.	S	Bend	trans	79	19	174.1	0	0	0	0	0	114.3
640	V	63.1	Low	63.2	Low	31 Å²	31	98.6 Å²	98.6	19%	0.188	56%	0.558	C	S	.	*			trans	-139.1	117.1	168.7	-176.8	0	0	0	0	107.4	G556 L557 A560 L637 L642	G556-V640 WeakPolarHBondContact O-CG2 3.21Å; L557-V640 HydrophobicContact CD2-CG1 4.4Å; A560-V640 HydrophobicContact CB-CG1 4.28Å; L637-V640 HydrophobicContact CD2-CB 3.86Å; L637-V640 HydrophobicContact CD2-CG1 4.41Å; L637-V640 HydrophobicContact CD2-CG2 4Å; L637-V640 HydrophobicContact CG-CB 4.42Å; L637-V640 HydrophobicContact CG-CG2 4.46Å; V640-L642 VanDerWaalsContact C-N 3.33Å; V640-L642 HydrophobicContact CG1-CD2 3.93Å; V640-L642 HydrophobicContact CG1-CG 4.26Å; V640-L642 PolarHBondContact O-N 3.35Å
641	E	53.8	Low	59.9	Low	180 Å²	180	101.2 Å²	101.2	84%	0.841	57%	0.57	S	S	*	*			trans	-73.7	92.3	165.5	-71.2	-170.7	177.4	0	0	107.9
642	L	52	Low	56.8	Low	92 Å²	92	105.1 Å²	105.1	48%	0.482	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-66.2	138.5	166.3	-65.2	174.1	0	0	0	107.7	A560 L637 V640 A644	A560-L642 HydrophobicContact CB-CD2 4.14Å; L637-L642 HydrophobicContact CD2-CD1 4.09Å; L637-L642 HydrophobicContact CD2-CD2 4.48Å; L637-L642 HydrophobicContact CD2-CG 4.34Å; V640-L642 VanDerWaalsContact C-N 3.33Å; V640-L642 HydrophobicContact CG1-CD2 3.93Å; V640-L642 HydrophobicContact CG1-CG 4.26Å; V640-L642 PolarHBondContact O-N 3.35Å; L642-A644 PolarHBondContact O-N 3.38Å; L642-A644 VanDerWaalsContact O-N 3.13Å
643	P	44.3	Very low	53.8	Low	96 Å²	96	105.5 Å²	105.5	62%	0.623	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-50.3	126.7	174.8	-21.7	30.5	0	0	0	108.6	E645	P643-E645 PolarHBondContact O-N 3.15Å; P643-E645 VanDerWaalsContact O-N 3.17Å
644	A	38.6	Very low	51	Low	87 Å²	87	111.4 Å²	111.4	72%	0.719	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-50.5	128.6	179.7	0	0	0	0	0	108.8	L642 N646	L642-A644 PolarHBondContact O-N 3.38Å; L642-A644 VanDerWaalsContact O-N 3.13Å; A644-N646 PolarHBondContact O-N 3.28Å
645	E	36.7	Very low	48.4	Very low	170 Å²	170	109.9 Å²	109.9	79%	0.794	61%	0.613	S	S	*	*			trans	-51.6	108.1	165.2	-80.4	-174.4	163.4	0	0	106.4	P643 T647	P643-E645 PolarHBondContact O-N 3.15Å; P643-E645 VanDerWaalsContact O-N 3.17Å; E645-T647 HydrophobicContact CB-CG2 4.46Å; E645-T647 PolarHBondContact O-N 2.99Å
646	N	31.7	Very low	45.9	Very low	145 Å²	145	116.5 Å²	116.5	78%	0.775	64%	0.638	S	S	*	*			trans	-65.2	82.4	159.6	-92.2	-23.4	0	0	0	105.8	A644 S648	A644-N646 PolarHBondContact O-N 3.28Å; N646-S648 PolarHBondContact O-N 2.91Å
647	T	32.4	Very low	43.7	Very low	120 Å²	120	117 Å²	117	74%	0.736	64%	0.636	S	S	*	*			trans	-67.7	52.9	149.5	45.5	0	0	0	0	108.1	E645 E649	E645-T647 HydrophobicContact CB-CG2 4.46Å; E645-T647 PolarHBondContact O-N 2.99Å; T647-E649 VanDerWaalsContact C-N 3.27Å; T647-E649 PolarHBondContact O-N 3.49Å
648	S	31.8	Very low	41.5	Very low	85 Å²	85	121.5 Å²	121.5	59%	0.594	66%	0.66	S	S	*	*			trans	-73.2	104.5	141.5	68	0	0	0	0	103.3	N646 A650	N646-S648 PolarHBondContact O-N 2.91Å; S648-A650 PolarHBondContact O-N 3.43Å
649	E	29.1	Very low	39.4	Very low	172 Å²	172	121.3 Å²	121.3	80%	0.804	66%	0.66	S	S	*	*			trans	-31.8	120.3	139.5	-77.6	-178.7	146.6	0	0	106.4	T647 E651	T647-E649 VanDerWaalsContact C-N 3.27Å; T647-E649 PolarHBondContact O-N 3.49Å; E649-E651 PolarHBondContact O-N 3.19Å
650	A	29.3	Very low	38.1	Very low	97 Å²	97	123.8 Å²	123.8	80%	0.802	66%	0.663	S	S	*	*			trans	-59	91	176.5	0	0	0	0	0	106.7	S648	S648-A650 PolarHBondContact O-N 3.43Å
651	E	29	Very low	37	Very low	174 Å²	174	125.9 Å²	125.9	81%	0.813	67%	0.673	S	S	*	*			trans	-59.6	129.4	166.5	-83.2	-154.1	156.6	0	0	105.3	E649 T653	E649-E651 PolarHBondContact O-N 3.19Å; E651-T653 PolarHBondContact O-N 2.99Å
652	P	29.8	Very low	36.3	Very low	121 Å²	121	123.6 Å²	123.6	79%	0.786	66%	0.662	S	S	*	*			trans	-54.6	123.1	-175.8	21	-30.5	0	0	0	108.7	R654	P652-R654 PolarHBondContact O-N 3.43Å
653	T	33.2	Very low	35.9	Very low	109 Å²	109	124.3 Å²	124.3	67%	0.669	67%	0.666	S	S	*	*			trans	-25.9	117.4	179.7	19.9	0	0	0	0	113.2	E651 T655 Y656	E651-T653 PolarHBondContact O-N 2.99Å; T653-T655 PolarHBondContact O-N 3.43Å; T653-Y656 PolarHBondContact O-N 2.9Å
654	R	34	Very low	35.8	Very low	200 Å²	200	125 Å²	125	76%	0.755	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	23	170.8	-153.2	-179.7	-174.8	-177.6	3.2	114.6	P652 L658	P652-R654 PolarHBondContact O-N 3.43Å; R654-L658 WeakPolarHBondContact O-CD1 3.37Å
655	T	36.8	Very low	35.8	Very low	91 Å²	91	129 Å²	129	56%	0.558	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-27.3	169.4	-31.2	0	0	0	0	110.4	T653 L659	T653-T655 PolarHBondContact O-N 3.43Å; T655-L659 PolarHBondContact O-N 2.71Å
656	Y	36.6	Very low	35.9	Very low	180 Å²	180	127.3 Å²	127.3	71%	0.706	66%	0.656	S	S	*	*	H	α-helix	trans	-79.8	-34.3	178.3	-131.2	-92.7	0	0	0	112.6	T653 L659 L660	T653-Y656 PolarHBondContact O-N 2.9Å; Y656-L659 PolarHBondContact O-N 2.73Å; Y656-L660 HydrophobicContact CD1-CD1 4.04Å; Y656-L660 WeakPolarHBondContact O-CG 3.25Å; Y656-L660 PolarHBondContact O-N 3Å
657	E	39.3	Very low	36.4	Very low	136 Å²	136	125 Å²	125	64%	0.636	65%	0.652	S	S	*	*	H	α-helix	trans	-72.2	-36	173.7	-73.3	-168.8	154.7	0	0	113	L659 L660 D661	E657-L659 VanDerWaalsContact C-N 3.3Å; E657-L659 PolarHBondContact O-N 2.79Å; E657-L660 PolarHBondContact O-N 3.25Å; E657-D661 WeakPolarHBondContact O-CB 3.46Å; E657-D661 PolarHBondContact O-N 3.12Å
658	L	35.8	Very low	36.6	Very low	120 Å²	120	127.5 Å²	127.5	63%	0.628	66%	0.655	S	S	*	*	H	α-helix	trans	-67.5	-31.3	174.1	-88.8	165.1	0	0	0	112.1	R654 H662	R654-L658 WeakPolarHBondContact O-CD1 3.37Å; L658-H662 VanDerWaalsContact O-CB 3.25Å; L658-H662 WeakPolarHBondContact O-CB 3.31Å; L658-H662 PolarHBondContact O-N 2.79Å; L658-H662 VanDerWaalsContact O-N 3.14Å
659	L	40	Very low	36.7	Very low	103 Å²	103	134.7 Å²	134.7	54%	0.539	67%	0.669	S	S	.	*	H	α-helix	trans	-72.8	-36.5	173.1	-95.4	155.1	0	0	0	111.9	T655 Y656 E657 L663	T655-L659 PolarHBondContact O-N 2.71Å; Y656-L659 PolarHBondContact O-N 2.73Å; E657-L659 VanDerWaalsContact C-N 3.3Å; E657-L659 PolarHBondContact O-N 2.79Å; L659-L663 WeakPolarHBondContact O-CB 3.25Å; L659-L663 WeakPolarHBondContact O-CD1 3.43Å; L659-L663 WeakPolarHBondContact O-CG 3.11Å; L659-L663 PolarHBondContact O-N 3.18Å; L659-L663 VanDerWaalsContact O-N 3.14Å
660	L	42.5	Very low	36.9	Very low	90 Å²	90	134.8 Å²	134.8	47%	0.471	67%	0.669	S	S	.	*	H	α-helix	trans	-74.4	-41.6	176	-71.7	165.9	0	0	0	112.4	Y656 E657 H662 L663 D664	Y656-L660 HydrophobicContact CD1-CD1 4.04Å; Y656-L660 WeakPolarHBondContact O-CG 3.25Å; Y656-L660 PolarHBondContact O-N 3Å; E657-L660 PolarHBondContact O-N 3.25Å; L660-H662 VanDerWaalsContact C-N 3.26Å; L660-H662 PolarHBondContact O-N 2.7Å; L660-L663 PolarHBondContact O-N 3.27Å; L660-L663 VanDerWaalsContact O-N 3.11Å; L660-D664 PolarHBondContact O-N 3.28Å
661	D	39.7	Very low	37	Very low	75 Å²	75	139.2 Å²	139.2	40%	0.401	67%	0.674	S	S	.	*	H	α-helix	trans	-66.5	-28	174.5	-164.1	51.7	0	0	0	111.5	E657 R665	E657-D661 WeakPolarHBondContact O-CB 3.46Å; E657-D661 PolarHBondContact O-N 3.12Å; D661-R665 VanDerWaalsContact O-CB 3.26Å; D661-R665 WeakPolarHBondContact O-CB 3.38Å; D661-R665 WeakPolarHBondContact O-CD 3.13Å; D661-R665 WeakPolarHBondContact O-CG 3.35Å; D661-R665 PolarHBondContact O-N 3.14Å; D661-R665 VanDerWaalsContact O-N 3.1Å; D661-R665 IonicContact OD1-NE 2.94Å; D661-R665 IonicContact OD2-CZ 3.11Å; D661-R665 IonicContact OD2-NE 3.89Å; D661-R665 PolarHBondContact OD2-NE 2.83Å; D661-R665 IonicContact OD2-NH2 2.94Å; D661-R665 PolarHBondContact OD2-NH2 2.9Å
662	H	39.7	Very low	37	Very low	133 Å²	133	137.5 Å²	137.5	62%	0.616	67%	0.67	S	S	*	*	H	α-helix	trans	-78.2	-27	173	-148.8	39.9	0	0	0	113.1	L658 L660 L666	L658-H662 VanDerWaalsContact O-CB 3.25Å; L658-H662 WeakPolarHBondContact O-CB 3.31Å; L658-H662 PolarHBondContact O-N 2.79Å; L658-H662 VanDerWaalsContact O-N 3.14Å; L660-H662 VanDerWaalsContact C-N 3.26Å; L660-H662 PolarHBondContact O-N 2.7Å; H662-L666 WeakPolarHBondContact O-CG 3.27Å
663	L	43.1	Very low	36.9	Very low	106 Å²	106	142.1 Å²	142.1	56%	0.555	67%	0.672	S	S	*	*	H	α-helix	trans	-80.2	-34.7	174	-72.9	166.6	0	0	0	112.1	L659 L660 L666	L659-L663 WeakPolarHBondContact O-CB 3.25Å; L659-L663 WeakPolarHBondContact O-CD1 3.43Å; L659-L663 WeakPolarHBondContact O-CG 3.11Å; L659-L663 PolarHBondContact O-N 3.18Å; L659-L663 VanDerWaalsContact O-N 3.14Å; L660-L663 PolarHBondContact O-N 3.27Å; L660-L663 VanDerWaalsContact O-N 3.11Å; L663-L666 PolarHBondContact O-N 2.72Å
664	D	42.6	Very low	36.6	Very low	110 Å²	110	143.8 Å²	143.8	59%	0.588	68%	0.682	S	S	*	*	H	α-helix	trans	-71.8	-35.4	173.3	-84.4	-16.5	0	0	0	112.1	L660 L666 S667	L660-D664 PolarHBondContact O-N 3.28Å; D664-L666 PolarHBondContact O-N 3.32Å; D664-S667 WeakPolarHBondContact O-CB 3.4Å; D664-S667 PolarHBondContact O-N 3.08Å
665	R	39.2	Very low	36.3	Very low	172 Å²	172	140.7 Å²	140.7	65%	0.649	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-11.1	173.7	-75.8	175.4	-170.8	-135.9	5.8	114.9	D661	D661-R665 VanDerWaalsContact O-CB 3.26Å; D661-R665 WeakPolarHBondContact O-CB 3.38Å; D661-R665 WeakPolarHBondContact O-CD 3.13Å; D661-R665 WeakPolarHBondContact O-CG 3.35Å; D661-R665 PolarHBondContact O-N 3.14Å; D661-R665 VanDerWaalsContact O-N 3.1Å; D661-R665 IonicContact OD1-NE 2.94Å; D661-R665 IonicContact OD2-CZ 3.11Å; D661-R665 IonicContact OD2-NE 3.89Å; D661-R665 PolarHBondContact OD2-NE 2.83Å; D661-R665 IonicContact OD2-NH2 2.94Å; D661-R665 PolarHBondContact OD2-NH2 2.9Å
666	L	38.9	Very low	36.5	Very low	134 Å²	134	141.7 Å²	141.7	70%	0.702	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-12.6	169.4	-70.9	169.5	0	0	0	112.4	H662 L663 D664	H662-L666 WeakPolarHBondContact O-CG 3.27Å; L663-L666 PolarHBondContact O-N 2.72Å; D664-L666 PolarHBondContact O-N 3.32Å
667	S	42.7	Very low	36	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-17.3	-179.5	-171.4	0	0	0	0	114.3	D664	D664-S667 WeakPolarHBondContact O-CB 3.4Å; D664-S667 PolarHBondContact O-N 3.08Å
668	E	35.6	Very low	36.1	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.804	70%	0.7	S	S	*	*			trans	-113	34.2	-174.4	-66.2	-169.1	156.4	0	0	113.7	E670	E668-E670 PolarHBondContact O-N 2.77Å
669	R	33.8	Very low	35.8	Very low	236 Å²	236	137.6 Å²	137.6	89%	0.891	71%	0.706	S	S	*	*			trans	-88.8	47.1	170.7	-147	-178.5	-166.9	-176.3	4.5	112.2
670	E	34.4	Very low	35.2	Very low	174 Å²	174	143.5 Å²	143.5	81%	0.813	72%	0.721	S	S	*	*			trans	-143.2	123.8	163.3	-90.5	-175.6	177	0	0	109.7	E668	E668-E670 PolarHBondContact O-N 2.77Å
671	Q	29.7	Very low	34.5	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	73%	0.73	S	S	*	*			trans	109.2	84.9	165.4	-59.7	177.2	0.4	0	0	119.1
672	D	28.8	Very low	34	Very low	138 Å²	138	147.5 Å²	147.5	74%	0.738	75%	0.753	S	S	*	*				66.5	109.9	118.6	-133.3	15.3	0	0	0	123.8
673	R	28.8	Very low	33.3	Very low	218 Å²	218	152.3 Å²	152.3	82%	0.823	77%	0.765	S	S	*	*			trans	17.4	134.7	135	-58.1	175	168.2	-178.8	-3.8	121.5
674	T	27.2	Very low	32.7	Very low	144 Å²	144	152.1 Å²	152.1	88%	0.883	77%	0.773	S	S	*	*				171.9	165.3	106.2	35.3	0	0	0	0	114
675	T	27.7	Very low	32.4	Very low	134 Å²	134	152.9 Å²	152.9	82%	0.822	78%	0.784	S	S	*	*			trans	-108.2	-166.2	-153.3	-23.6	0	0	0	0	113.9
676	P	40.5	Very low	31.9	Very low	113 Å²	113	153.3 Å²	153.3	73%	0.734	79%	0.793	S	S	*	*				-131.9	177.7	-110.5	45.6	-26.7	0	0	0	120.2
677	A	26.7	Very low	31.4	Very low	91 Å²	91	152 Å²	152	75%	0.752	80%	0.795	S	S	*	*			trans	67.2	169.8	148	0	0	0	0	0	120.8
678	P	40.3	Very low	31.2	Very low	110 Å²	110	152.9 Å²	152.9	71%	0.714	80%	0.799	S	S	*	*			cis	-148	164.8	6.3	35	-10.2	0	0	0	121.6
679	I	30.7	Very low	30.8	Very low	149 Å²	149	154.2 Å²	154.2	76%	0.764	80%	0.802	S	S	*	*				52.1	134.8	126.8	-50.2	161.7	0	0	0	126
680	R	26.6	Very low	30.5	Very low	226 Å²	226	155.2 Å²	155.2	85%	0.853	81%	0.806	S	S	*	*				169	120.4	117.3	-98.4	-165.5	158.1	179.7	-6.6	113.7
681	T	27.7	Very low	30.3	Very low	106 Å²	106	157.1 Å²	157.1	65%	0.65	81%	0.811	S	S	*	*				63	136	85.4	66.8	0	0	0	0	117
682	T	29	Very low	30.2	Very low	144 Å²	144	151.6 Å²	151.6	88%	0.883	81%	0.805	S	S	*	*				-172.1	174.1	76	46	0	0	0	0	114.8
683	R	26.4	Very low	30.1	Very low	233 Å²	233	157.6 Å²	157.6	88%	0.879	82%	0.818	S	S	*	*			trans	-139.8	151.4	-168.3	-154	-171.8	-168.1	-167.3	4.7	112.6
684	S	30.2	Very low	30.1	Very low	102 Å²	102	151.2 Å²	151.2	71%	0.713	82%	0.819	S	S	*	*			trans	68.9	170.5	146.1	56.1	0	0	0	0	120.8
685	P	36.7	Very low	30.2	Very low	126 Å²	126	155.4 Å²	155.4	82%	0.818	82%	0.819	S	S	*	*			cis	-147.7	-154.5	18.5	41.7	-16	0	0	0	119
686	Q	28.1	Very low	30.3	Very low	181 Å²	181	158.4 Å²	158.4	85%	0.846	82%	0.82	S	S	*	*			trans	-103.5	165	-149.1	-66.4	167.9	-31.8	0	0	121.2
687	S	27.7	Very low	29.7	Very low	107 Å²	107	156.9 Å²	156.9	75%	0.748	83%	0.826	S	S	*	*			trans	78.1	170.8	137.8	77.1	0	0	0	0	122.1
688	P	38.7	Very low	30.1	Very low	116 Å²	116	163.2 Å²	163.2	75%	0.753	84%	0.836	S	S	*	*			cis	-141.8	172.1	-8.5	34	-10.5	0	0	0	119.9
689	K	27.9	Very low	29.5	Very low	200 Å²	200	161.9 Å²	161.9	87%	0.87	84%	0.842	S	S	*	*			trans	0.1	145.6	155.2	-65	174.5	176.7	170.6	0	125.2
690	R	27.5	Very low	30	Very low	256 Å²	256	167.4 Å²	167.4	97%	0.966	85%	0.854	S	S	*	*				-178.2	163	113	-107.2	-179.9	169.1	-180	-2.1	117.2
691	K	29.3	Very low	30.1	Very low	215 Å²	215	162.2 Å²	162.2	94%	0.935	85%	0.852	S	S	*	*			trans	-101.5	163.2	-163.8	-72.7	173.9	166.4	176.8	0	116.1
692	G	26.9	Very low	31.2	Very low	74 Å²	74	169.2 Å²	169.2	76%	0.763	87%	0.867	S	S	*	*			trans	-174.7	112.6	146.4	0	0	0	0	0	112.1
693	R	28.2	Very low	31.3	Very low	265 Å²	265	167.9 Å²	167.9	100%	1	86%	0.863	S	S	*	*				74.7	116.5	85.1	-109.2	-172.8	-179.9	178.6	1	116.3
694	G	27.5	Very low	32.2	Very low	83 Å²	83	165 Å²	165	86%	0.856	86%	0.864	S	S	*	*			trans	-179.8	137.4	162.3	0	0	0	0	0	112.8
695	R	29.7	Very low	32.8	Very low	232 Å²	232	165.1 Å²	165.1	88%	0.875	87%	0.865	S	S	*	*			trans	-120.4	148.7	-161.8	-117.5	179.7	171.4	170.2	-3.3	112.2
696	K	29.5	Very low	33.8	Very low	197 Å²	197	166.9 Å²	166.9	86%	0.857	86%	0.863	S	S	*	*			trans	69.5	125.6	146.1	-78.8	-174	172.7	-177.5	0	121.7
697	G	28	Very low	35.8	Very low	82 Å²	82	162.1 Å²	162.1	85%	0.845	84%	0.842	S	S	*	*			trans	-175.9	119	150.9	0	0	0	0	0	111.7
698	K	35.7	Very low	38.4	Very low	223 Å²	223	163.4 Å²	163.4	97%	0.97	84%	0.836	S	S	*	*			trans	-83.6	146.6	176.5	-92.9	178.1	171.3	-179.6	0	110.3
699	G	27.7	Very low	40.8	Very low	82 Å²	82	161.2 Å²	161.2	85%	0.845	82%	0.818	S	S	*	*			trans	168.3	106	160.7	0	0	0	0	0	111.8
700	R	40.9	Very low	43.6	Very low	265 Å²	265	151.8 Å²	151.8	100%	1	78%	0.778	S	S	*	*			trans	-101.8	110.8	175.8	-150.5	-177.7	-171.5	-176.4	2.2	107.1
701	S	29.3	Very low	46.8	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	75%	0.747	S	S	*	*			trans	-156.9	133.4	155.7	-168.4	0	0	0	0	109.2
702	R	49.4	Very low	49.9	Very low	253 Å²	253	132.3 Å²	132.3	96%	0.955	71%	0.705	S	S	*	*			trans	-61.9	130.1	-174.8	-84.5	168.6	155.2	170.4	-7.9	111.5
703	S	32.9	Very low	53.1	Low	115 Å²	115	133.2 Å²	133.2	80%	0.804	69%	0.686	S	S	*	*			trans	-144.2	138.5	165.3	-178.4	0	0	0	0	108	S705	S703-S705 PolarHBondContact O-N 3.46Å
704	L	44.2	Very low	56.3	Low	172 Å²	172	122 Å²	122	90%	0.901	65%	0.645	S	S	*	*			trans	-44.6	124.6	-177.4	-71	146.7	0	0	0	111.4	E706	L704-E706 PolarHBondContact O-N 3.11Å
705	S	43.6	Very low	59.3	Low	106 Å²	106	120 Å²	120	74%	0.741	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-69	123.7	179.1	50.4	0	0	0	0	110.3	S703 L707	S703-S705 PolarHBondContact O-N 3.46Å; S705-L707 PolarHBondContact O-N 3.14Å
706	E	57.8	Low	61.6	Low	163 Å²	163	113.6 Å²	113.6	76%	0.762	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-49	120.9	158.9	-73.7	174.9	148.8	0	0	108.5	L704 H708	L704-E706 PolarHBondContact O-N 3.11Å; E706-H708 PolarHBondContact O-N 3.14Å
707	L	68.6	Low	63	Low	80 Å²	80	110.7 Å²	110.7	42%	0.419	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-63.8	119.6	173.8	-81.9	154.5	0	0	0	108.2	S705 V711 Y730 W735	S705-L707 PolarHBondContact O-N 3.14Å; L707-V711 HydrophobicContact CD2-CB 4.22Å; L707-V711 HydrophobicContact CD2-CG1 3.79Å; L707-V711 HydrophobicContact CD2-CG2 4.47Å; L707-Y730 HydrophobicContact CB-CD1 3.71Å; L707-Y730 HydrophobicContact CB-CE1 3.53Å; L707-Y730 HydrophobicContact CB-CE2 4.49Å; L707-Y730 HydrophobicContact CB-CG 4.24Å; L707-Y730 HydrophobicContact CD1-CE2 4.4Å; L707-Y730 VanDerWaalsContact O-CE1 3.28Å; L707-Y730 WeakPolarHBondContact O-CE1 3.4Å; L707-W735 HydrophobicContact CD1-CZ2 4.26Å; L707-W735 HydrophobicContact CD2-CZ2 4Å
708	H	82.8	Confident	64.3	Low	135 Å²	135	115.6 Å²	115.6	63%	0.625	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-85	155.1	176.9	-66	-68.6	0	0	0	111.1	E706 G710 V711	E706-H708 PolarHBondContact O-N 3.14Å; H708-G710 PolarHBondContact O-N 3.1Å; H708-V711 WeakPolarHBondContact O-CG2 3.32Å; H708-V711 PolarHBondContact O-N 2.8Å
709	N	88.4	Confident	65.1	Low	70 Å²	70	114.4 Å²	114.4	37%	0.374	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.7	137.3	174.6	-74.4	-2.9	0	0	0	111.2	Y730 H732 L792	N709-Y730 CarbonylContact C-O 3.48Å; N709-Y730 WeakPolarHBondContact CA-O 3.12Å; N709-H732 PolarHBondContact ND2-CD2 3.03Å; N709-H732 VanDerWaalsContact ND2-CD2 3.29Å; N709-H732 PolarHBondContact OD1-N 3.35Å; N709-L792 HydrophobicContact CB-CD1 3.95Å
710	G	87.4	Confident	66.4	Low	1 Å²	1	114.4 Å²	114.4	1%	0.01	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	88.3	4.7	179.1	0	0	0	0	0	114.4	H708 Y730 Q754	H708-G710 PolarHBondContact O-N 3.1Å; G710-Y730 PolarHBondContact N-O 2.97Å; G710-Q754 PolarHBondContact O-NE2 3.03Å
711	V	94.1	Very high	67.3	Low	53 Å²	53	108.5 Å²	108.5	32%	0.321	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	136	168.4	174.7	0	0	0	0	109	L707 H708 I729 Y730 W735	L707-V711 HydrophobicContact CD2-CB 4.22Å; L707-V711 HydrophobicContact CD2-CG1 3.79Å; L707-V711 HydrophobicContact CD2-CG2 4.47Å; H708-V711 WeakPolarHBondContact O-CG2 3.32Å; H708-V711 PolarHBondContact O-N 2.8Å; V711-I729 CarbonylContact O-C 3.58Å; V711-I729 WeakPolarHBondContact O-CA 3.46Å; V711-Y730 PolarHBondContact O-N 2.86Å; V711-W735 HydrophobicContact CG1-CH2 4.07Å; V711-W735 WeakPolarHBondContact O-CZ3 3.38Å
712	V	95.8	Very high	69.5	Low	10 Å²	10	105.2 Å²	105.2	6%	0.061	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	150.7	178.9	-64.8	0	0	0	0	111	V727 E728 I729 V751 Q754 L755 L791	V712-V727 HydrophobicContact CG1-CG1 4.4Å; V712-E728 CarbonylContact C-O 3.55Å; V712-E728 VanDerWaalsContact CA-O 3.23Å; V712-E728 WeakPolarHBondContact CA-O 3.34Å; V712-I729 HydrophobicContact CG1-CB 4.27Å; V712-I729 HydrophobicContact CG1-CG1 4.08Å; V712-V751 HydrophobicContact CG2-CG1 4.12Å; V712-Q754 HydrophobicContact CG2-CB 3.74Å; V712-Q754 HydrophobicContact CG2-CG 4.48Å; V712-L755 HydrophobicContact CG2-CD2 4.1Å; V712-L755 HydrophobicContact CG2-CG 4.03Å; V712-L755 WeakPolarHBondContact O-CD2 3.11Å; V712-L791 HydrophobicContact CG1-CD1 3.95Å; V712-L791 HydrophobicContact CG1-CG 4.39Å
713	R	94.4	Very high	71.4	Confident	93 Å²	93	94.5 Å²	94.5	35%	0.351	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	158.5	169	73.3	-178	-178.6	-174.5	-0	110.1	V715 E728 W735	R713-V715 HydrophobicContact CG-CG2 4.23Å; R713-E728 HydrophobicContact CG-CB 3.95Å; R713-E728 IonicContact CZ-OE2 2.69Å; R713-E728 PolarHBondContact N-O 2.96Å; R713-E728 IonicContact NE-OE2 3.18Å; R713-E728 PolarHBondContact NE-OE2 3.16Å; R713-E728 IonicContact NH2-OE2 2.79Å; R713-E728 PolarHBondContact NH2-OE2 3.32Å; R713-E728 PolarHBondContact O-N 3.39Å; R713-W735 HydrophobicContact CB-CH2 3.78Å; R713-W735 HydrophobicContact CB-CZ3 3.93Å; R713-W735 HydrophobicContact CG-CD2 4.47Å; R713-W735 HydrophobicContact CG-CE3 3.9Å; R713-W735 HydrophobicContact CG-CH2 3.73Å; R713-W735 HydrophobicContact CG-CZ2 4.32Å; R713-W735 HydrophobicContact CG-CZ3 3.51Å
714	L	94.3	Very high	74.2	Confident	28 Å²	28	92.7 Å²	92.7	15%	0.147	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.7	171.3	-55.5	-177.2	0	0	0	109.4	R726 V727 V751 L755 V812	L714-R726 WeakPolarHBondContact CA-O 3.31Å; L714-V727 HydrophobicContact CD2-CG2 4.01Å; L714-V751 HydrophobicContact CD2-CG1 4.38Å; L714-L755 HydrophobicContact CD1-CD1 3.68Å; L714-L755 HydrophobicContact CD2-CD1 3.81Å; L714-L755 HydrophobicContact CG-CD1 3.51Å; L714-V812 HydrophobicContact CD1-CG2 4.09Å; L714-V812 HydrophobicContact CD2-CG2 3.51Å; L714-V812 HydrophobicContact CG-CG2 4.46Å
715	V	91	Very high	76.7	Confident	42 Å²	42	84.5 Å²	84.5	26%	0.255	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.4	172.7	179.6	0	0	0	0	109.5	R713 G725 R726 E728	R713-V715 HydrophobicContact CG-CG2 4.23Å; V715-G725 WeakPolarHBondContact O-CA 3.38Å; V715-R726 VanDerWaalsContact CG1-NH2 3.28Å; V715-R726 PolarHBondContact N-O 3.2Å; V715-R726 PolarHBondContact O-N 3.39Å; V715-E728 HydrophobicContact CG2-CG 4.19Å; V715-E728 VanDerWaalsContact CG2-OE1 3.23Å; V715-E728 WeakPolarHBondContact CG2-OE1 3.1Å; V715-E728 VanDerWaalsContact CG2-OE2 3.24Å; V715-E728 WeakPolarHBondContact CG2-OE2 3.35Å
716	R	77.4	Confident	79.2	Confident	98 Å²	98	80.7 Å²	80.7	37%	0.37	39%	0.394	S	S	.	.			trans	-153.6	166.3	-173.5	59.1	166.6	-177.4	-100.1	4.9	111.4	L720 H721	R716-L720 WeakPolarHBondContact CD-O 3.14Å; R716-L720 VanDerWaalsContact CZ-O 3.31Å; R716-L720 PolarHBondContact NE-O 2.96Å; R716-H721 VanDerWaalsContact CZ-O 3.29Å; R716-H721 PolarHBondContact NH1-O 2.93Å
717	D	59.9	Low	81.1	Confident	136 Å²	136	73 Å²	73	73%	0.727	36%	0.358	S	S	*	.			trans	-69.4	149.5	163.1	-91.2	-28.1	0	0	0	111.5	F719 L720	D717-F719 PolarHBondContact O-N 2.76Å; D717-L720 PolarHBondContact O-N 3.19Å
718	E	55.1	Low	82.5	Confident	184 Å²	184	69.3 Å²	69.3	86%	0.86	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-6.3	-166.8	-69	-172.4	154.2	0	0	115.7
719	F	52.2	Low	83.2	Confident	198 Å²	198	62.9 Å²	62.9	87%	0.868	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	1.4	-174.4	-62.9	-77.1	0	0	0	116.1	D717	D717-F719 PolarHBondContact O-N 2.76Å
720	L	54.3	Low	83.5	Confident	83 Å²	83	61.6 Å²	61.6	44%	0.435	30%	0.299	S	S	.	.	S	Bend	trans	-101.2	157.4	179.2	-70	169.4	0	0	0	113.6	R716 D717	R716-L720 WeakPolarHBondContact CD-O 3.14Å; R716-L720 VanDerWaalsContact CZ-O 3.31Å; R716-L720 PolarHBondContact NE-O 2.96Å; D717-L720 PolarHBondContact O-N 3.19Å
721	H	60	Low	83.8	Confident	141 Å²	141	61.7 Å²	61.7	65%	0.653	30%	0.299	S	S	*	.			trans	-69	157.4	-178.4	-71.3	-67.7	0	0	0	113.6	R716 D723	R716-H721 VanDerWaalsContact CZ-O 3.29Å; R716-H721 PolarHBondContact NH1-O 2.93Å; H721-D723 WeakPolarHBondContact CB-OD1 3.48Å; H721-D723 PolarHBondContact O-N 2.81Å
722	G	75.1	Confident	83.6	Confident	48 Å²	48	66.1 Å²	66.1	50%	0.495	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-10.6	-177.8	0	0	0	0	0	117.7
723	D	89.8	Confident	83.1	Confident	29 Å²	29	68 Å²	68	16%	0.155	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-4.6	-160.3	65.7	-28.2	0	0	0	113.6	H721 F757 C814	H721-D723 WeakPolarHBondContact CB-OD1 3.48Å; H721-D723 PolarHBondContact O-N 2.81Å; D723-F757 HydrophobicContact CB-CE1 3.72Å; D723-F757 HydrophobicContact CB-CZ 3.81Å; D723-C814 WeakPolarHBondContact CB-O 3.25Å; D723-C814 WeakPolarHBondContact O-CB 3.44Å; D723-C814 PolarHBondContact O-N 2.8Å
724	R	93.3	Very high	83	Confident	77 Å²	77	67.1 Å²	67.1	29%	0.291	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.9	-177.5	66.3	-164.3	72.8	-164.2	-4.3	113	F769 V812 I813	R724-F769 HydrophobicContact CB-CE1 4.07Å; R724-F769 HydrophobicContact CB-CZ 3.91Å; R724-F769 HydrophobicContact CG-CE1 4.12Å; R724-F769 HydrophobicContact CG-CZ 4.45Å; R724-V812 VanDerWaalsContact CA-O 3.31Å; R724-V812 WeakPolarHBondContact CA-O 3.44Å; R724-I813 HydrophobicContact CB-CB 4.36Å; R724-I813 HydrophobicContact CB-CG1 3.95Å; R724-I813 HydrophobicContact CB-CG2 4.26Å
725	G	94.9	Very high	83.1	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	177.9	175.7	0	0	0	0	0	113.9	V715 F769 G811 V812	V715-G725 WeakPolarHBondContact O-CA 3.38Å; G725-F769 WeakPolarHBondContact O-CD2 3.14Å; G725-G811 WeakPolarHBondContact O-CA 3.21Å; G725-V812 PolarHBondContact N-O 3.39Å; G725-V812 VanDerWaalsContact N-O 3.17Å; G725-V812 PolarHBondContact O-N 3.23Å
726	R	96.9	Very high	83.4	Confident	26 Å²	26	66.1 Å²	66.1	10%	0.098	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.8	172.7	179.8	-178.7	58.2	-104	0.8	109	L714 V715 E728 F769 G770 D809	L714-R726 WeakPolarHBondContact CA-O 3.31Å; V715-R726 VanDerWaalsContact CG1-NH2 3.28Å; V715-R726 PolarHBondContact N-O 3.2Å; V715-R726 PolarHBondContact O-N 3.39Å; R726-E728 IonicContact CZ-OE1 3.17Å; R726-E728 IonicContact NE-OE1 3.03Å; R726-E728 PolarHBondContact NE-OE1 3.11Å; R726-E728 IonicContact NH2-OE1 3.36Å; R726-E728 PolarHBondContact NH2-OE1 3.3Å; R726-F769 HydrophobicContact CB-CB 4.11Å; R726-F769 VanDerWaalsContact N-CB 3.28Å; R726-G770 WeakPolarHBondContact CD-O 3.48Å; R726-G770 PolarHBondContact NH1-O 3.2Å; R726-D809 HydrophobicContact CG-CB 4.26Å
727	V	97.9	Very high	84.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.7	178.3	-178.8	0	0	0	0	109.5	V712 L714 V738 W743 V751 L791 A810 V812	V712-V727 HydrophobicContact CG1-CG1 4.4Å; L714-V727 HydrophobicContact CD2-CG2 4.01Å; V727-V738 HydrophobicContact CG1-CG2 4.12Å; V727-W743 HydrophobicContact CG2-CZ2 4.12Å; V727-V751 HydrophobicContact CG1-CG1 4.23Å; V727-V751 HydrophobicContact CG1-CG2 4.16Å; V727-V751 HydrophobicContact CG2-CG1 3.96Å; V727-V751 HydrophobicContact CG2-CG2 4.42Å; V727-L791 HydrophobicContact CG1-CD1 4.1Å; V727-A810 PolarHBondContact N-O 2.86Å; V727-V812 HydrophobicContact CG2-CB 4.34Å; V727-V812 HydrophobicContact CG2-CG1 3.76Å; V727-V812 HydrophobicContact CG2-CG2 3.93Å
728	E	97.6	Very high	86.2	Confident	4 Å²	4	55 Å²	55	2%	0.019	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139	168.1	-67.1	176.6	-169.5	0	0	109.2	V712 R713 V715 R726 W735 G736 T737 L775	V712-E728 CarbonylContact C-O 3.55Å; V712-E728 VanDerWaalsContact CA-O 3.23Å; V712-E728 WeakPolarHBondContact CA-O 3.34Å; R713-E728 HydrophobicContact CG-CB 3.95Å; R713-E728 IonicContact CZ-OE2 2.69Å; R713-E728 PolarHBondContact N-O 2.96Å; R713-E728 IonicContact NE-OE2 3.18Å; R713-E728 PolarHBondContact NE-OE2 3.16Å; R713-E728 IonicContact NH2-OE2 2.79Å; R713-E728 PolarHBondContact NH2-OE2 3.32Å; R713-E728 PolarHBondContact O-N 3.39Å; V715-E728 HydrophobicContact CG2-CG 4.19Å; V715-E728 VanDerWaalsContact CG2-OE1 3.23Å; V715-E728 WeakPolarHBondContact CG2-OE1 3.1Å; V715-E728 VanDerWaalsContact CG2-OE2 3.24Å; V715-E728 WeakPolarHBondContact CG2-OE2 3.35Å; R726-E728 IonicContact CZ-OE1 3.17Å; R726-E728 IonicContact NE-OE1 3.03Å; R726-E728 PolarHBondContact NE-OE1 3.11Å; R726-E728 IonicContact NH2-OE1 3.36Å; R726-E728 PolarHBondContact NH2-OE1 3.3Å; E728-W735 HydrophobicContact CB-CE3 3.99Å; E728-W735 WeakPolarHBondContact O-CZ3 3.31Å; E728-G736 CarbonylContact C-O 3.58Å; E728-G736 WeakPolarHBondContact CA-O 3.49Å; E728-T737 HydrophobicContact CG-CG2 4.26Å; E728-L775 HydrophobicContact CG-CD1 3.97Å; E728-L775 WeakPolarHBondContact OE1-CD1 3.26Å; E728-L775 WeakPolarHBondContact OE2-CD1 3.42Å
729	I	97.3	Very high	88.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.2	-179.2	-168.4	176.2	0	0	0	110.5	V711 V712 V731 W735 G736 V738 L778 L779 L791 L792	V711-I729 CarbonylContact O-C 3.58Å; V711-I729 WeakPolarHBondContact O-CA 3.46Å; V712-I729 HydrophobicContact CG1-CB 4.27Å; V712-I729 HydrophobicContact CG1-CG1 4.08Å; I729-V731 HydrophobicContact CD1-CG2 4.22Å; I729-V731 HydrophobicContact CG1-CG2 4.08Å; I729-V731 HydrophobicContact CG2-CG2 4.2Å; I729-W735 VanDerWaalsContact C-CE3 3.49Å; I729-W735 WeakPolarHBondContact O-CA 3.35Å; I729-G736 PolarHBondContact N-O 2.99Å; I729-G736 PolarHBondContact O-N 3.17Å; I729-V738 HydrophobicContact CB-CG2 4.3Å; I729-V738 HydrophobicContact CG2-CG2 3.88Å; I729-L778 HydrophobicContact CG2-CB 4.13Å; I729-L778 HydrophobicContact CG2-CD1 4.42Å; I729-L779 HydrophobicContact CD1-CD1 3.49Å; I729-L779 VanDerWaalsContact CD1-CD1 3.49Å; I729-L779 HydrophobicContact CD1-CG 4.43Å; I729-L779 HydrophobicContact CG2-CD1 4.28Å; I729-L779 HydrophobicContact CG2-CG 4.4Å; I729-L791 HydrophobicContact CD1-CB 3.87Å; I729-L791 HydrophobicContact CD1-CD1 4.39Å; I729-L792 HydrophobicContact CD1-CD2 4Å; I729-L792 HydrophobicContact CD1-CG 3.95Å
730	Y	95.8	Very high	90.3	Very high	43 Å²	43	37.1 Å²	37.1	17%	0.169	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.2	177.2	-169.4	-102.2	0	0	0	110.8	L707 N709 G710 V711 G733 E734 W735	L707-Y730 HydrophobicContact CB-CD1 3.71Å; L707-Y730 HydrophobicContact CB-CE1 3.53Å; L707-Y730 HydrophobicContact CB-CE2 4.49Å; L707-Y730 HydrophobicContact CB-CG 4.24Å; L707-Y730 HydrophobicContact CD1-CE2 4.4Å; L707-Y730 VanDerWaalsContact O-CE1 3.28Å; L707-Y730 WeakPolarHBondContact O-CE1 3.4Å; N709-Y730 CarbonylContact C-O 3.48Å; N709-Y730 WeakPolarHBondContact CA-O 3.12Å; G710-Y730 PolarHBondContact N-O 2.97Å; V711-Y730 PolarHBondContact O-N 2.86Å; Y730-G733 VanDerWaalsContact OH-CA 3.3Å; Y730-G733 WeakPolarHBondContact OH-CA 3.37Å; Y730-G733 PolarHBondContact OH-O 2.75Å; Y730-E734 WeakPolarHBondContact CA-O 3.48Å; Y730-E734 WeakPolarHBondContact CD2-O 3.5Å; Y730-W735 AromaticContact CD2-CD1 3.76Å; Y730-W735 AromaticContact CD2-CD2 3.88Å; Y730-W735 HydrophobicContact CD2-CD2 3.88Å; Y730-W735 AromaticContact CD2-CE2 3.72Å; Y730-W735 AromaticContact CD2-CG 3.92Å; Y730-W735 HydrophobicContact CD2-CG 3.92Å; Y730-W735 HydrophobicContact CD2-CZ2 4.31Å; Y730-W735 AromaticContact CD2-NE1 3.62Å; Y730-W735 HydrophobicContact CG-CD2 4.47Å; Y730-W735 HydrophobicContact CG-CZ2 4.5Å
731	V	93.1	Very high	92.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.6	179.9	-165.6	0	0	0	0	109.9	I729 G733 E734 L778 L792 V799	I729-V731 HydrophobicContact CD1-CG2 4.22Å; I729-V731 HydrophobicContact CG1-CG2 4.08Å; I729-V731 HydrophobicContact CG2-CG2 4.2Å; V731-G733 PolarHBondContact O-N 3.01Å; V731-G733 VanDerWaalsContact O-N 3.11Å; V731-E734 PolarHBondContact N-O 2.78Å; V731-E734 WeakPolarHBondContact O-CG 3.24Å; V731-E734 PolarHBondContact O-N 2.76Å; V731-L778 HydrophobicContact CB-CD1 4.3Å; V731-L778 HydrophobicContact CG2-CD1 4.27Å; V731-L792 HydrophobicContact CG1-CD1 4.35Å; V731-L792 HydrophobicContact CG2-CD1 4.21Å; V731-L792 HydrophobicContact CG2-CD2 3.99Å; V731-V799 HydrophobicContact CB-CG1 4.29Å; V731-V799 HydrophobicContact CG1-CG1 3.84Å; V731-V799 HydrophobicContact CG1-CG2 4.1Å
732	H	89.4	Confident	93.8	Very high	146 Å²	146	33.7 Å²	33.7	68%	0.676	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	30.1	175.7	-59.3	137	0	0	0	115.8	N709	N709-H732 PolarHBondContact ND2-CD2 3.03Å; N709-H732 VanDerWaalsContact ND2-CD2 3.29Å; N709-H732 PolarHBondContact OD1-N 3.35Å
733	G	86.5	Confident	94.9	Very high	50 Å²	50	31.4 Å²	31.4	52%	0.515	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	-4.1	176.4	0	0	0	0	0	115.1	Y730 V731	Y730-G733 VanDerWaalsContact OH-CA 3.3Å; Y730-G733 WeakPolarHBondContact OH-CA 3.37Å; Y730-G733 PolarHBondContact OH-O 2.75Å; V731-G733 PolarHBondContact O-N 3.01Å; V731-G733 VanDerWaalsContact O-N 3.11Å
734	E	91.8	Very high	95.2	Very high	75 Å²	75	31.7 Å²	31.7	35%	0.35	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.1	-179	61.1	-178.4	178.4	0	0	112.7	Y730 V731 R776 L778	Y730-E734 WeakPolarHBondContact CA-O 3.48Å; Y730-E734 WeakPolarHBondContact CD2-O 3.5Å; V731-E734 PolarHBondContact N-O 2.78Å; V731-E734 WeakPolarHBondContact O-CG 3.24Å; V731-E734 PolarHBondContact O-N 2.76Å; E734-R776 IonicContact OE1-CZ 3.91Å; E734-R776 IonicContact OE1-NH1 2.91Å; E734-R776 PolarHBondContact OE1-NH1 3.14Å; E734-L778 HydrophobicContact CG-CD1 4.48Å
735	W	96.9	Very high	95.3	Very high	49 Å²	49	31.4 Å²	31.4	19%	0.186	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	143.7	168.5	-75	99.5	0	0	0	109.7	L707 V711 R713 E728 I729 Y730	L707-W735 HydrophobicContact CD1-CZ2 4.26Å; L707-W735 HydrophobicContact CD2-CZ2 4Å; V711-W735 HydrophobicContact CG1-CH2 4.07Å; V711-W735 WeakPolarHBondContact O-CZ3 3.38Å; R713-W735 HydrophobicContact CB-CH2 3.78Å; R713-W735 HydrophobicContact CB-CZ3 3.93Å; R713-W735 HydrophobicContact CG-CD2 4.47Å; R713-W735 HydrophobicContact CG-CE3 3.9Å; R713-W735 HydrophobicContact CG-CH2 3.73Å; R713-W735 HydrophobicContact CG-CZ2 4.32Å; R713-W735 HydrophobicContact CG-CZ3 3.51Å; E728-W735 HydrophobicContact CB-CE3 3.99Å; E728-W735 WeakPolarHBondContact O-CZ3 3.31Å; I729-W735 VanDerWaalsContact C-CE3 3.49Å; I729-W735 WeakPolarHBondContact O-CA 3.35Å; Y730-W735 AromaticContact CD2-CD1 3.76Å; Y730-W735 AromaticContact CD2-CD2 3.88Å; Y730-W735 HydrophobicContact CD2-CD2 3.88Å; Y730-W735 AromaticContact CD2-CE2 3.72Å; Y730-W735 AromaticContact CD2-CG 3.92Å; Y730-W735 HydrophobicContact CD2-CG 3.92Å; Y730-W735 HydrophobicContact CD2-CZ2 4.31Å; Y730-W735 AromaticContact CD2-NE1 3.62Å; Y730-W735 HydrophobicContact CG-CD2 4.47Å; Y730-W735 HydrophobicContact CG-CZ2 4.5Å
736	G	96.5	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	169.7	172.4	0	0	0	0	0	113.1	E728 I729 R776 L778	E728-G736 CarbonylContact C-O 3.58Å; E728-G736 WeakPolarHBondContact CA-O 3.49Å; I729-G736 PolarHBondContact N-O 2.99Å; I729-G736 PolarHBondContact O-N 3.17Å; G736-R776 CarbonylContact C-O 3.51Å; G736-R776 WeakPolarHBondContact CA-O 3.43Å; G736-L778 VanDerWaalsContact CA-CD1 3.47Å; G736-L778 VanDerWaalsContact N-CD1 3.34Å
737	T	97.8	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	169.7	-176	61.5	0	0	0	0	111.5	E728 L775 R776 I777 L778 D809	E728-T737 HydrophobicContact CG-CG2 4.26Å; T737-L775 HydrophobicContact CG2-CB 4.34Å; T737-L775 HydrophobicContact CG2-CD1 4.31Å; T737-R776 PolarHBondContact N-O 3.03Å; T737-I777 WeakPolarHBondContact OG1-CG1 3.39Å; T737-L778 PolarHBondContact O-N 2.73Å; T737-D809 WeakPolarHBondContact CB-OD1 3.46Å; T737-D809 WeakPolarHBondContact CG2-OD2 3.46Å; T737-D809 PolarHBondContact OG1-OD1 3.33Å
738	V	97.9	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132	179.3	-178.1	0	0	0	0	107.2	V727 I729 W743 L779 V782 L791 A810	V727-V738 HydrophobicContact CG1-CG2 4.12Å; I729-V738 HydrophobicContact CB-CG2 4.3Å; I729-V738 HydrophobicContact CG2-CG2 3.88Å; V738-W743 HydrophobicContact CG1-CE3 4.01Å; V738-W743 HydrophobicContact CG1-CH2 4.09Å; V738-W743 HydrophobicContact CG1-CZ3 3.52Å; V738-L779 HydrophobicContact CG1-CB 4Å; V738-L779 HydrophobicContact CG2-CB 4.3Å; V738-V782 HydrophobicContact CG1-CG2 3.81Å; V738-L791 HydrophobicContact CG2-CD1 4.18Å; V738-A810 HydrophobicContact CB-CB 4.32Å; V738-A810 HydrophobicContact CG1-CB 4.42Å; V738-A810 VanDerWaalsContact O-CB 3.25Å; V738-A810 WeakPolarHBondContact O-CB 3.45Å; V738-A810 PolarHBondContact O-N 3.25Å
739	C	97.1	Very high	95.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-73	150.3	174.6	-175.3	0	0	0	0	111.2	D741 I777 L779 D780 C804 E808	C739-D741 VanDerWaalsContact C-N 3.34Å; C739-I777 HydrophobicContact CB-CG2 4.18Å; C739-L779 PolarHBondContact N-O 2.99Å; C739-D780 HydrophobicContact CB-CB 4.19Å; C739-D780 WeakPolarHBondContact CB-OD1 3.35Å; C739-C804 HydrophobicContact CB-CB 3.69Å; C739-C804 WeakPolarHBondContact CB-SG 3.34Å; C739-C804 WeakPolarHBondContact SG-CB 3.23Å; C739-C804 CovalentContact SG-SG 2.02Å; C739-C804 PolarHBondContact SG-SG 3.27Å; C739-E808 CarbonylContact C-O 3.04Å; C739-E808 WeakPolarHBondContact CA-O 3.08Å
740	D	96.2	Very high	95.5	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.037	19%	0.19	C	C	.	.			trans	-88.4	3.5	-178.1	74	-15.3	0	0	0	114.8	L742 W743 R765 N766 E808 A810	D740-L742 PolarHBondContact O-N 3.07Å; D740-W743 VanDerWaalsContact C-CB 3.46Å; D740-W743 VanDerWaalsContact CA-CB 3.47Å; D740-W743 HydrophobicContact CB-CB 4.02Å; D740-W743 HydrophobicContact CB-CG 4.49Å; D740-W743 WeakPolarHBondContact O-CB 3.3Å; D740-W743 PolarHBondContact O-N 3.07Å; D740-R765 HydrophobicContact CB-CB 4.12Å; D740-R765 HydrophobicContact CB-CG 3.96Å; D740-R765 VanDerWaalsContact OD2-CA 3.27Å; D740-R765 WeakPolarHBondContact OD2-CA 3.02Å; D740-R765 WeakPolarHBondContact OD2-CB 3.35Å; D740-N766 PolarHBondContact OD2-N 2.69Å; D740-E808 WeakPolarHBondContact CB-O 3.2Å; D740-E808 VanDerWaalsContact CG-O 3.3Å; D740-E808 PolarHBondContact N-O 2.84Å; D740-E808 WeakPolarHBondContact OD1-CB 3.38Å; D740-A810 HydrophobicContact CB-CB 4.03Å
741	D	95.5	Very high	95.5	Very high	57 Å²	57	34.7 Å²	34.7	31%	0.305	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	127.1	169.4	-86.6	-7.3	0	0	0	110.8	C739 W743	C739-D741 VanDerWaalsContact C-N 3.34Å; D741-W743 PolarHBondContact O-N 2.88Å; D741-W743 VanDerWaalsContact O-N 3.12Å
742	L	93.6	Very high	95.7	Very high	95 Å²	95	34.7 Å²	34.7	50%	0.497	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	14.9	-169.6	-54.6	179.3	0	0	0	115.1	D740 S744 N747 D781	D740-L742 PolarHBondContact O-N 3.07Å; L742-S744 PolarHBondContact O-N 2.79Å; L742-N747 PolarHBondContact O-OD1 2.83Å; L742-D781 HydrophobicContact CD1-CB 4.14Å
743	W	97.3	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.			trans	-75	95.7	-175.7	-167.4	-110.4	0	0	0	113	V727 V738 D740 D741 N747 V751 R765 V782 L791 A810 G811 V812	V727-W743 HydrophobicContact CG2-CZ2 4.12Å; V738-W743 HydrophobicContact CG1-CE3 4.01Å; V738-W743 HydrophobicContact CG1-CH2 4.09Å; V738-W743 HydrophobicContact CG1-CZ3 3.52Å; D740-W743 VanDerWaalsContact C-CB 3.46Å; D740-W743 VanDerWaalsContact CA-CB 3.47Å; D740-W743 HydrophobicContact CB-CB 4.02Å; D740-W743 HydrophobicContact CB-CG 4.49Å; D740-W743 WeakPolarHBondContact O-CB 3.3Å; D740-W743 PolarHBondContact O-N 3.07Å; D741-W743 PolarHBondContact O-N 2.88Å; D741-W743 VanDerWaalsContact O-N 3.12Å; W743-N747 HydrophobicContact CD2-CB 3.77Å; W743-N747 HydrophobicContact CE3-CB 3.57Å; W743-N747 HydrophobicContact CH2-CB 3.93Å; W743-N747 HydrophobicContact CZ2-CB 4.12Å; W743-N747 HydrophobicContact CZ3-CB 3.65Å; W743-V751 HydrophobicContact CH2-CG2 3.87Å; W743-V751 HydrophobicContact CZ2-CG2 4.07Å; W743-R765 PolarHBondContact O-NE 2.98Å; W743-R765 PolarHBondContact O-NH2 2.82Å; W743-V782 HydrophobicContact CE3-CB 4.19Å; W743-V782 HydrophobicContact CZ3-CB 4.08Å; W743-V782 HydrophobicContact CZ3-CG1 4.18Å; W743-V782 HydrophobicContact CZ3-CG2 4.46Å; W743-L791 HydrophobicContact CH2-CD1 3.86Å; W743-L791 HydrophobicContact CH2-CD2 3.87Å; W743-L791 HydrophobicContact CZ3-CD1 4.32Å; W743-L791 HydrophobicContact CZ3-CD2 4.05Å; W743-A810 HydrophobicContact CD2-CB 3.69Å; W743-A810 HydrophobicContact CE3-CB 4.22Å; W743-A810 HydrophobicContact CG-CB 3.88Å; W743-A810 HydrophobicContact CZ2-CB 4.15Å; W743-G811 PolarHBondContact NE1-O 2.9Å; W743-G811 VanDerWaalsContact NE1-O 3.07Å; W743-V812 HydrophobicContact CZ2-CG1 4.02Å
744	S	95.6	Very high	96.4	Very high	34 Å²	34	33 Å²	33	24%	0.238	16%	0.157	C	C	.	.			trans	-102.8	173.6	-175.9	74.8	0	0	0	0	112.9	L742 K746 N747 A748 A763	L742-S744 PolarHBondContact O-N 2.79Å; S744-K746 PolarHBondContact O-N 3.27Å; S744-K746 VanDerWaalsContact O-N 3.13Å; S744-K746 WeakPolarHBondContact OG-CB 3.4Å; S744-K746 PolarHBondContact OG-N 2.76Å; S744-N747 WeakPolarHBondContact CA-OD1 3.25Å; S744-N747 WeakPolarHBondContact CB-OD1 3.49Å; S744-N747 PolarHBondContact N-OD1 3.27Å; S744-N747 VanDerWaalsContact O-CB 3.29Å; S744-N747 WeakPolarHBondContact O-CB 2.99Å; S744-N747 PolarHBondContact O-N 3.21Å; S744-N747 PolarHBondContact O-OD1 2.86Å; S744-N747 PolarHBondContact OG-OD1 3.34Å; S744-A748 PolarHBondContact O-N 2.96Å; S744-A763 VanDerWaalsContact C-CB 3.45Å; S744-A763 VanDerWaalsContact O-CB 3.3Å; S744-A763 WeakPolarHBondContact O-CB 3.02Å
745	I	96.8	Very high	96.5	Very high	71 Å²	71	32.2 Å²	32.2	36%	0.364	15%	0.154	S	C	.	.	H	α-helix	trans	-57.1	-27.9	172.1	-160.6	64.7	0	0	0	112.3	N747 A748 E749 A760	I745-N747 VanDerWaalsContact C-N 3.32Å; I745-N747 PolarHBondContact O-N 2.8Å; I745-A748 HydrophobicContact CD1-CB 4.38Å; I745-A748 PolarHBondContact O-N 3.12Å; I745-E749 WeakPolarHBondContact O-CG 3.44Å; I745-E749 PolarHBondContact O-N 2.69Å; I745-A760 HydrophobicContact CD1-CB 4.11Å
746	K	97.6	Very high	96.2	Very high	84 Å²	84	32.8 Å²	32.8	37%	0.365	18%	0.176	S	C	.	.	H	α-helix	trans	-67.8	-31.5	175.2	-60.3	-53	-178.1	-170.4	0	112.8	S744 E749 V750 C784 G786	S744-K746 PolarHBondContact O-N 3.27Å; S744-K746 VanDerWaalsContact O-N 3.13Å; S744-K746 WeakPolarHBondContact OG-CB 3.4Å; S744-K746 PolarHBondContact OG-N 2.76Å; K746-E749 WeakPolarHBondContact CD-OE2 3.5Å; K746-E749 IonicContact NZ-OE1 3.1Å; K746-E749 PolarHBondContact NZ-OE1 2.99Å; K746-E749 IonicContact NZ-OE2 3.84Å; K746-E749 PolarHBondContact NZ-OE2 2.83Å; K746-E749 VanDerWaalsContact NZ-OE2 3.1Å; K746-V750 PolarHBondContact O-N 2.94Å; K746-C784 WeakPolarHBondContact CB-O 3.11Å; K746-G786 WeakPolarHBondContact O-CA 3.5Å
747	N	97.6	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.4	-45.3	171.3	-57	81.2	0	0	0	110.7	L742 W743 S744 I745 E749 V750 V751 V782 C784	L742-N747 PolarHBondContact O-OD1 2.83Å; W743-N747 HydrophobicContact CD2-CB 3.77Å; W743-N747 HydrophobicContact CE3-CB 3.57Å; W743-N747 HydrophobicContact CH2-CB 3.93Å; W743-N747 HydrophobicContact CZ2-CB 4.12Å; W743-N747 HydrophobicContact CZ3-CB 3.65Å; S744-N747 WeakPolarHBondContact CA-OD1 3.25Å; S744-N747 WeakPolarHBondContact CB-OD1 3.49Å; S744-N747 PolarHBondContact N-OD1 3.27Å; S744-N747 VanDerWaalsContact O-CB 3.29Å; S744-N747 WeakPolarHBondContact O-CB 2.99Å; S744-N747 PolarHBondContact O-N 3.21Å; S744-N747 PolarHBondContact O-OD1 2.86Å; S744-N747 PolarHBondContact OG-OD1 3.34Å; I745-N747 VanDerWaalsContact C-N 3.32Å; I745-N747 PolarHBondContact O-N 2.8Å; N747-E749 VanDerWaalsContact C-N 3.32Å; N747-E749 PolarHBondContact O-N 3.17Å; N747-V750 WeakPolarHBondContact O-CB 3.38Å; N747-V750 PolarHBondContact O-N 2.73Å; N747-V751 PolarHBondContact O-N 3.12Å; N747-V782 WeakPolarHBondContact ND2-CG1 3.48Å; N747-V782 PolarHBondContact ND2-O 3.18Å; N747-C784 PolarHBondContact ND2-N 3.03Å; N747-C784 PolarHBondContact ND2-SG 2.81Å
748	A	97.2	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-36.9	177.3	0	0	0	0	0	112.4	S744 I745 V750 V751 C752 A760 A763 V812	S744-A748 PolarHBondContact O-N 2.96Å; I745-A748 HydrophobicContact CD1-CB 4.38Å; I745-A748 PolarHBondContact O-N 3.12Å; A748-V750 VanDerWaalsContact C-N 3.29Å; A748-V750 PolarHBondContact O-N 3.37Å; A748-V751 PolarHBondContact O-N 2.82Å; A748-C752 VanDerWaalsContact O-CB 3.32Å; A748-C752 WeakPolarHBondContact O-CB 3.45Å; A748-C752 PolarHBondContact O-N 2.83Å; A748-C752 PolarHBondContact O-SG 3.32Å; A748-C752 VanDerWaalsContact O-SG 3.35Å; A748-A760 HydrophobicContact CB-CB 3.67Å; A748-A763 HydrophobicContact CB-CB 3.89Å; A748-V812 HydrophobicContact CB-CB 4.3Å; A748-V812 HydrophobicContact CB-CG1 3.58Å
749	E	97.2	Very high	95.4	Very high	59 Å²	59	45.8 Å²	45.8	28%	0.276	23%	0.231	S	C	.	.	H	α-helix	trans	-56.8	-42.1	174.4	-78.8	173	-171.1	0	0	111.8	I745 K746 N747 R753 A760	I745-E749 WeakPolarHBondContact O-CG 3.44Å; I745-E749 PolarHBondContact O-N 2.69Å; K746-E749 WeakPolarHBondContact CD-OE2 3.5Å; K746-E749 IonicContact NZ-OE1 3.1Å; K746-E749 PolarHBondContact NZ-OE1 2.99Å; K746-E749 IonicContact NZ-OE2 3.84Å; K746-E749 PolarHBondContact NZ-OE2 2.83Å; K746-E749 VanDerWaalsContact NZ-OE2 3.1Å; N747-E749 VanDerWaalsContact C-N 3.32Å; N747-E749 PolarHBondContact O-N 3.17Å; E749-R753 WeakPolarHBondContact O-CB 3.4Å; E749-R753 PolarHBondContact O-N 2.02Å; E749-A760 HydrophobicContact CB-CB 4.4Å; E749-A760 HydrophobicContact CG-CB 3.99Å; E749-A760 VanDerWaalsContact N-CB 3.35Å
750	V	97.5	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-52.2	175	175.1	0	0	0	0	110.2	K746 N747 A748 C752 R753 Q754 C784 E788 L791	K746-V750 PolarHBondContact O-N 2.94Å; N747-V750 WeakPolarHBondContact O-CB 3.38Å; N747-V750 PolarHBondContact O-N 2.73Å; A748-V750 VanDerWaalsContact C-N 3.29Å; A748-V750 PolarHBondContact O-N 3.37Å; V750-C752 PolarHBondContact O-N 3.47Å; V750-R753 PolarHBondContact O-N 3.25Å; V750-Q754 HydrophobicContact CG1-CG 4.48Å; V750-Q754 VanDerWaalsContact O-CG 3.27Å; V750-Q754 WeakPolarHBondContact O-CG 3.05Å; V750-Q754 PolarHBondContact O-N 3.02Å; V750-C784 HydrophobicContact CG2-CB 3.96Å; V750-E788 HydrophobicContact CG1-CB 4.45Å; V750-E788 HydrophobicContact CG2-CB 4.04Å; V750-E788 WeakPolarHBondContact CG2-OE2 3.43Å; V750-L791 HydrophobicContact CB-CD2 4.36Å; V750-L791 HydrophobicContact CG1-CD2 4.16Å
751	V	97.4	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-49.8	-179	177.8	0	0	0	0	111.9	V712 L714 V727 W743 N747 A748 R753 Q754 L755 L791 V812	V712-V751 HydrophobicContact CG2-CG1 4.12Å; L714-V751 HydrophobicContact CD2-CG1 4.38Å; V727-V751 HydrophobicContact CG1-CG1 4.23Å; V727-V751 HydrophobicContact CG1-CG2 4.16Å; V727-V751 HydrophobicContact CG2-CG1 3.96Å; V727-V751 HydrophobicContact CG2-CG2 4.42Å; W743-V751 HydrophobicContact CH2-CG2 3.87Å; W743-V751 HydrophobicContact CZ2-CG2 4.07Å; N747-V751 PolarHBondContact O-N 3.12Å; A748-V751 PolarHBondContact O-N 2.82Å; V751-R753 VanDerWaalsContact C-N 3.32Å; V751-R753 PolarHBondContact O-N 3.17Å; V751-Q754 WeakPolarHBondContact O-CB 3.08Å; V751-Q754 PolarHBondContact O-N 3.42Å; V751-Q754 VanDerWaalsContact O-N 3.15Å; V751-L755 HydrophobicContact CG1-CD1 3.9Å; V751-L755 WeakPolarHBondContact O-CG 2.98Å; V751-L755 PolarHBondContact O-N 2.96Å; V751-L791 HydrophobicContact CG2-CD1 3.71Å; V751-L791 HydrophobicContact CG2-CD2 3.78Å; V751-L791 HydrophobicContact CG2-CG 3.89Å; V751-V812 HydrophobicContact CB-CG1 4.11Å; V751-V812 HydrophobicContact CB-CG2 4.48Å; V751-V812 HydrophobicContact CG1-CG1 4.15Å; V751-V812 HydrophobicContact CG1-CG2 3.77Å; V751-V812 HydrophobicContact CG2-CG1 4.44Å
752	C	96.5	Very high	95.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-39	-178.3	-70.1	0	0	0	0	111.8	A748 V750 L755 G756 F757 A760 C814	A748-C752 VanDerWaalsContact O-CB 3.32Å; A748-C752 WeakPolarHBondContact O-CB 3.45Å; A748-C752 PolarHBondContact O-N 2.83Å; A748-C752 PolarHBondContact O-SG 3.32Å; A748-C752 VanDerWaalsContact O-SG 3.35Å; V750-C752 PolarHBondContact O-N 3.47Å; C752-L755 CarbonylContact O-C 3.56Å; C752-L755 PolarHBondContact O-N 3.11Å; C752-G756 PolarHBondContact O-N 2.9Å; C752-G756 VanDerWaalsContact O-N 3.16Å; C752-F757 HydrophobicContact CB-CB 4.17Å; C752-F757 WeakPolarHBondContact O-CB 3.46Å; C752-F757 PolarHBondContact O-N 2.89Å; C752-A760 HydrophobicContact CB-CB 4.16Å; C752-C814 WeakPolarHBondContact CA-SG 3.39Å; C752-C814 HydrophobicContact CB-CB 3.66Å; C752-C814 WeakPolarHBondContact CB-SG 3.24Å; C752-C814 WeakPolarHBondContact SG-CA 3.3Å; C752-C814 WeakPolarHBondContact SG-CB 3.36Å; C752-C814 CovalentContact SG-SG 2.04Å; C752-C814 PolarHBondContact SG-SG 3.46Å
753	R	95.4	Very high	95.3	Very high	106 Å²	106	47.2 Å²	47.2	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-67	-38.6	174	-177.5	168.9	49.2	70.1	3.1	112.4	E749 V750 V751 L755 G756 G786 T787 E788	E749-R753 WeakPolarHBondContact O-CB 3.4Å; E749-R753 PolarHBondContact O-N 2.02Å; V750-R753 PolarHBondContact O-N 3.25Å; V751-R753 VanDerWaalsContact C-N 3.32Å; V751-R753 PolarHBondContact O-N 3.17Å; R753-L755 PolarHBondContact O-N 2.78Å; R753-G756 PolarHBondContact O-N 3.15Å; R753-G756 VanDerWaalsContact O-N 3.09Å; R753-G786 PolarHBondContact NH2-O 2.89Å; R753-T787 VanDerWaalsContact NH2-C 3.3Å; R753-T787 PolarHBondContact NH2-O 3.24Å; R753-E788 PolarHBondContact NH1-O 3.29Å; R753-E788 PolarHBondContact NH2-O 3.19Å
754	Q	94.6	Very high	95.2	Very high	56 Å²	56	47.2 Å²	47.2	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-34.2	174.2	-72.5	-172.8	-81.2	0	0	112.4	G710 V712 V750 V751 G756 F789 N790	G710-Q754 PolarHBondContact O-NE2 3.03Å; V712-Q754 HydrophobicContact CG2-CB 3.74Å; V712-Q754 HydrophobicContact CG2-CG 4.48Å; V750-Q754 HydrophobicContact CG1-CG 4.48Å; V750-Q754 VanDerWaalsContact O-CG 3.27Å; V750-Q754 WeakPolarHBondContact O-CG 3.05Å; V750-Q754 PolarHBondContact O-N 3.02Å; V751-Q754 WeakPolarHBondContact O-CB 3.08Å; V751-Q754 PolarHBondContact O-N 3.42Å; V751-Q754 VanDerWaalsContact O-N 3.15Å; Q754-G756 VanDerWaalsContact C-N 3.29Å; Q754-F789 WeakPolarHBondContact CG-O 3.24Å; Q754-N790 VanDerWaalsContact CD-CA 3.49Å
755	L	93.6	Very high	95.2	Very high	57 Å²	57	51.1 Å²	51.1	30%	0.298	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2	177.2	-64.8	169.8	0	0	0	113.5	V712 L714 V751 C752 R753 F757	V712-L755 HydrophobicContact CG2-CD2 4.1Å; V712-L755 HydrophobicContact CG2-CG 4.03Å; V712-L755 WeakPolarHBondContact O-CD2 3.11Å; L714-L755 HydrophobicContact CD1-CD1 3.68Å; L714-L755 HydrophobicContact CD2-CD1 3.81Å; L714-L755 HydrophobicContact CG-CD1 3.51Å; V751-L755 HydrophobicContact CG1-CD1 3.9Å; V751-L755 WeakPolarHBondContact O-CG 2.98Å; V751-L755 PolarHBondContact O-N 2.96Å; C752-L755 CarbonylContact O-C 3.56Å; C752-L755 PolarHBondContact O-N 3.11Å; R753-L755 PolarHBondContact O-N 2.78Å; L755-F757 HydrophobicContact CB-CD2 3.79Å; L755-F757 HydrophobicContact CB-CE2 3.96Å
756	G	92.2	Very high	95.2	Very high	62 Å²	62	53.6 Å²	53.6	64%	0.639	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	10.4	175.7	0	0	0	0	0	115.4	C752 R753 Q754	C752-G756 PolarHBondContact O-N 2.9Å; C752-G756 VanDerWaalsContact O-N 3.16Å; R753-G756 PolarHBondContact O-N 3.15Å; R753-G756 VanDerWaalsContact O-N 3.09Å; Q754-G756 VanDerWaalsContact C-N 3.29Å
757	F	93.3	Very high	94.9	Very high	40 Å²	40	50.2 Å²	50.2	18%	0.175	25%	0.25	C	C	.	.			trans	-83.8	151.7	172.7	-63.6	-87.8	0	0	0	111.2	D723 C752 L755 C814 N816	D723-F757 HydrophobicContact CB-CE1 3.72Å; D723-F757 HydrophobicContact CB-CZ 3.81Å; C752-F757 HydrophobicContact CB-CB 4.17Å; C752-F757 WeakPolarHBondContact O-CB 3.46Å; C752-F757 PolarHBondContact O-N 2.89Å; L755-F757 HydrophobicContact CB-CD2 3.79Å; L755-F757 HydrophobicContact CB-CE2 3.96Å; F757-C814 HydrophobicContact CB-CB 3.68Å; F757-C814 HydrophobicContact CD1-CB 3.83Å; F757-C814 HydrophobicContact CD2-CB 3.44Å; F757-C814 VanDerWaalsContact CD2-CB 3.44Å; F757-C814 HydrophobicContact CE1-CB 4.31Å; F757-C814 HydrophobicContact CE2-CB 3.98Å; F757-C814 HydrophobicContact CG-CB 3.36Å; F757-C814 HydrophobicContact CZ-CB 4.39Å; F757-N816 WeakPolarHBondContact CA-OD1 3.35Å
758	K	90.3	Very high	94.7	Very high	156 Å²	156	54.5 Å²	54.5	68%	0.678	27%	0.27	S	S	*	.	S	Bend	trans	-80.6	-28.4	-179	-66	-177.1	-179.7	177.2	0	113.4	G815 N816	K758-G815 PolarHBondContact N-O 3.19Å; K758-G815 VanDerWaalsContact N-O 3.15Å; K758-N816 PolarHBondContact N-OD1 3.11Å
759	Y	91.8	Very high	94.5	Very high	77 Å²	77	56.2 Å²	56.2	30%	0.302	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	147.7	-173.8	-53.9	-78.1	0	0	0	111	G815 S817 K818 P819	Y759-G815 PolarHBondContact N-O 2.04Å; Y759-G815 PolarHBondContact O-N 2.81Å; Y759-S817 WeakPolarHBondContact CD2-O 3.39Å; Y759-S817 VanDerWaalsContact CE2-C 3.48Å; Y759-K818 HydrophobicContact CD1-CG 4.38Å; Y759-K818 HydrophobicContact CE1-CB 4.14Å; Y759-K818 HydrophobicContact CE1-CG 3.66Å; Y759-K818 VanDerWaalsContact CE2-CA 3.43Å; Y759-K818 HydrophobicContact CE2-CB 4.03Å; Y759-K818 HydrophobicContact CE2-CG 4.45Å; Y759-K818 VanDerWaalsContact CE2-N 3.28Å; Y759-P819 VanDerWaalsContact CD1-CD 3.5Å; Y759-P819 HydrophobicContact CD1-CG 4.42Å; Y759-P819 VanDerWaalsContact CG-CD 3.46Å
760	A	94	Very high	94.2	Very high	8 Å²	8	55 Å²	55	7%	0.066	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	127	160.4	0	0	0	0	0	108.3	I745 A748 E749 C752	I745-A760 HydrophobicContact CD1-CB 4.11Å; A748-A760 HydrophobicContact CB-CB 3.67Å; E749-A760 HydrophobicContact CB-CB 4.4Å; E749-A760 HydrophobicContact CG-CB 3.99Å; E749-A760 VanDerWaalsContact N-CB 3.35Å; C752-A760 HydrophobicContact CB-CB 4.16Å
761	L	93.3	Very high	94.1	Very high	79 Å²	79	58.8 Å²	58.8	41%	0.414	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-26.8	178.9	-56.4	-178.7	0	0	0	111.2	I813 P819	L761-I813 HydrophobicContact CB-CB 4.35Å; L761-I813 HydrophobicContact CB-CG2 4.13Å; L761-I813 HydrophobicContact CD1-CG2 4.24Å; L761-I813 PolarHBondContact N-O 3.42Å; L761-P819 HydrophobicContact CD2-CB 4.09Å; L761-P819 HydrophobicContact CD2-CG 4.44Å
762	K	95.4	Very high	93.9	Very high	81 Å²	81	59 Å²	59	35%	0.352	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	141	178.4	-169.2	176.9	176.4	-174.6	0	111.9	E768 V812 I813	K762-E768 VanDerWaalsContact CE-OE2 3.25Å; K762-E768 WeakPolarHBondContact CE-OE2 3.35Å; K762-E768 IonicContact NZ-OE1 2.91Å; K762-E768 PolarHBondContact NZ-OE1 3.42Å; K762-E768 IonicContact NZ-OE2 2.62Å; K762-E768 PolarHBondContact NZ-OE2 2.84Å; K762-V812 WeakPolarHBondContact O-CA 3.39Å; K762-I813 HydrophobicContact CB-CB 3.89Å; K762-I813 HydrophobicContact CB-CD1 4.02Å; K762-I813 HydrophobicContact CB-CG1 3.96Å; K762-I813 HydrophobicContact CD-CD1 3.84Å; K762-I813 HydrophobicContact CD-CG1 4.41Å; K762-I813 PolarHBondContact N-O 3.35Å; K762-I813 VanDerWaalsContact N-O 3.14Å; K762-I813 PolarHBondContact O-N 3.35Å
763	A	96.5	Very high	93.5	Very high	20 Å²	20	66 Å²	66	17%	0.165	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105	158.5	0	0	0	0	0	107.9	S744 A748	S744-A763 VanDerWaalsContact C-CB 3.45Å; S744-A763 VanDerWaalsContact O-CB 3.3Å; S744-A763 WeakPolarHBondContact O-CB 3.02Å; A748-A763 HydrophobicContact CB-CB 3.89Å
764	A	95.3	Very high	93.2	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.008	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	142.7	-178.8	0	0	0	0	0	110.4	E768 F769 G811	A764-E768 HydrophobicContact CB-CB 4.06Å; A764-E768 HydrophobicContact CB-CG 4.43Å; A764-E768 VanDerWaalsContact CB-OE2 3.31Å; A764-E768 WeakPolarHBondContact CB-OE2 3.17Å; A764-F769 HydrophobicContact CB-CD2 4.07Å; A764-F769 HydrophobicContact CB-CE2 3.58Å; A764-G811 PolarHBondContact N-O 3.04Å; A764-G811 PolarHBondContact O-N 3.37Å
765	R	96.8	Very high	93.1	Very high	116 Å²	116	64.4 Å²	64.4	44%	0.438	35%	0.351	S	S	.	.			trans	-128.8	173.4	-172.3	-67.3	-155	-173.4	170.9	-0.2	109.8	D740 W743 A767 E768	D740-R765 HydrophobicContact CB-CB 4.12Å; D740-R765 HydrophobicContact CB-CG 3.96Å; D740-R765 VanDerWaalsContact OD2-CA 3.27Å; D740-R765 WeakPolarHBondContact OD2-CA 3.02Å; D740-R765 WeakPolarHBondContact OD2-CB 3.35Å; W743-R765 PolarHBondContact O-NE 2.98Å; W743-R765 PolarHBondContact O-NH2 2.82Å; R765-A767 VanDerWaalsContact C-N 3.3Å; R765-A767 PolarHBondContact O-N 2.81Å; R765-E768 WeakPolarHBondContact O-CB 3.41Å; R765-E768 PolarHBondContact O-N 3.21Å
766	N	94.8	Very high	93.3	Very high	122 Å²	122	68.5 Å²	68.5	65%	0.652	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	42	175.6	-60.8	-52.4	0	0	0	113.7	D740 E768 Y807	D740-N766 PolarHBondContact OD2-N 2.69Å; N766-E768 PolarHBondContact O-N 2.79Å; N766-E768 VanDerWaalsContact O-N 3.12Å; N766-Y807 CarbonylContact C-O 3.58Å; N766-Y807 WeakPolarHBondContact CA-O 3.36Å
767	A	92.9	Very high	93.5	Very high	14 Å²	14	65.8 Å²	65.8	12%	0.116	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.5	-179.8	0	0	0	0	0	114.4	R765 F769 G770 E771 H806 Y807 D809	R765-A767 VanDerWaalsContact C-N 3.3Å; R765-A767 PolarHBondContact O-N 2.81Å; A767-F769 PolarHBondContact O-N 3.22Å; A767-G770 WeakPolarHBondContact O-CA 3.24Å; A767-G770 PolarHBondContact O-N 3.23Å; A767-E771 HydrophobicContact CB-CG 3.75Å; A767-H806 WeakPolarHBondContact CB-O 3.48Å; A767-Y807 WeakPolarHBondContact CB-O 3.32Å; A767-Y807 PolarHBondContact N-O 3.1Å; A767-Y807 VanDerWaalsContact N-O 3.14Å; A767-D809 VanDerWaalsContact CA-O 3.25Å; A767-D809 WeakPolarHBondContact CA-O 3.3Å; A767-D809 HydrophobicContact CB-CB 4.31Å; A767-D809 PolarHBondContact N-O 2.64Å; A767-D809 VanDerWaalsContact N-O 3.12Å
768	E	93.1	Very high	93.7	Very high	89 Å²	89	64 Å²	64	42%	0.416	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-31.3	-179.4	-177	176.8	151.8	0	0	113.9	K762 A764 R765 N766	K762-E768 VanDerWaalsContact CE-OE2 3.25Å; K762-E768 WeakPolarHBondContact CE-OE2 3.35Å; K762-E768 IonicContact NZ-OE1 2.91Å; K762-E768 PolarHBondContact NZ-OE1 3.42Å; K762-E768 IonicContact NZ-OE2 2.62Å; K762-E768 PolarHBondContact NZ-OE2 2.84Å; A764-E768 HydrophobicContact CB-CB 4.06Å; A764-E768 HydrophobicContact CB-CG 4.43Å; A764-E768 VanDerWaalsContact CB-OE2 3.31Å; A764-E768 WeakPolarHBondContact CB-OE2 3.17Å; R765-E768 WeakPolarHBondContact O-CB 3.41Å; R765-E768 PolarHBondContact O-N 3.21Å; N766-E768 PolarHBondContact O-N 2.79Å; N766-E768 VanDerWaalsContact O-N 3.12Å
769	F	92.6	Very high	94	Very high	36 Å²	36	56.6 Å²	56.6	16%	0.158	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	23.2	177.6	-63.1	-68.3	0	0	0	113.7	R724 G725 R726 A764 A767 I813	R724-F769 HydrophobicContact CB-CE1 4.07Å; R724-F769 HydrophobicContact CB-CZ 3.91Å; R724-F769 HydrophobicContact CG-CE1 4.12Å; R724-F769 HydrophobicContact CG-CZ 4.45Å; G725-F769 WeakPolarHBondContact O-CD2 3.14Å; R726-F769 HydrophobicContact CB-CB 4.11Å; R726-F769 VanDerWaalsContact N-CB 3.28Å; A764-F769 HydrophobicContact CB-CD2 4.07Å; A764-F769 HydrophobicContact CB-CE2 3.58Å; A767-F769 PolarHBondContact O-N 3.22Å; F769-I813 HydrophobicContact CE2-CG1 4.28Å; F769-I813 HydrophobicContact CZ-CD1 4.18Å; F769-I813 HydrophobicContact CZ-CG1 3.76Å
770	G	91.8	Very high	94.2	Very high	35 Å²	35	53 Å²	53	36%	0.361	28%	0.279	S	S	.	.			trans	85.4	154	-178	0	0	0	0	0	113.2	R726 A767	R726-G770 WeakPolarHBondContact CD-O 3.48Å; R726-G770 PolarHBondContact NH1-O 3.2Å; A767-G770 WeakPolarHBondContact O-CA 3.24Å; A767-G770 PolarHBondContact O-N 3.23Å
771	E	94.6	Very high	94.3	Very high	79 Å²	79	55.8 Å²	55.8	37%	0.369	29%	0.293	S	S	.	.			trans	-78.8	142.5	-177.9	-61.3	-175.9	-109.1	0	0	112.7	A767 K773 H806 Y807	A767-E771 HydrophobicContact CB-CG 3.75Å; E771-K773 VanDerWaalsContact C-N 3.33Å; E771-K773 HydrophobicContact CB-CD 4.47Å; E771-K773 HydrophobicContact CB-CG 3.91Å; E771-K773 PolarHBondContact O-N 3.43Å; E771-K773 WeakPolarHBondContact OE1-CE 3.48Å; E771-K773 IonicContact OE1-NZ 3.27Å; E771-K773 PolarHBondContact OE1-NZ 3.46Å; E771-K773 WeakPolarHBondContact OE2-CE 3.29Å; E771-K773 IonicContact OE2-NZ 2.75Å; E771-K773 PolarHBondContact OE2-NZ 2.87Å; E771-H806 HydrophobicContact CB-CB 4Å; E771-H806 HydrophobicContact CG-CB 4.41Å; E771-H806 WeakPolarHBondContact CG-O 3.37Å; E771-Y807 PolarHBondContact OE2-N 2.96Å
772	G	92.4	Very high	94.4	Very high	4 Å²	4	52 Å²	52	4%	0.041	27%	0.273	C	S	.	.			trans	-90.6	41.7	176.2	0	0	0	0	0	114.3	G774 L775 H806 D809	G772-G774 PolarHBondContact O-N 3.13Å; G772-L775 PolarHBondContact O-N 2.8Å; G772-H806 PolarHBondContact O-CE1 3.22Å; G772-D809 WeakPolarHBondContact CA-OD2 3.4Å; G772-D809 PolarHBondContact N-OD2 3.44Å
773	K	89.3	Confident	94.4	Very high	148 Å²	148	52.3 Å²	52.3	64%	0.643	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-17.6	-172.5	-64.7	-177.7	179.2	168.5	0	116.8	E771 H806	E771-K773 VanDerWaalsContact C-N 3.33Å; E771-K773 HydrophobicContact CB-CD 4.47Å; E771-K773 HydrophobicContact CB-CG 3.91Å; E771-K773 PolarHBondContact O-N 3.43Å; E771-K773 WeakPolarHBondContact OE1-CE 3.48Å; E771-K773 IonicContact OE1-NZ 3.27Å; E771-K773 PolarHBondContact OE1-NZ 3.46Å; E771-K773 WeakPolarHBondContact OE2-CE 3.29Å; E771-K773 IonicContact OE2-NZ 2.75Å; E771-K773 PolarHBondContact OE2-NZ 2.87Å; K773-H806 HydrophobicContact CG-CB 4.38Å
774	G	88	Confident	94.3	Very high	79 Å²	79	51.5 Å²	51.5	81%	0.814	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	2.9	177.6	0	0	0	0	0	115	G772	G772-G774 PolarHBondContact O-N 3.13Å
775	L	93.8	Very high	94.2	Very high	50 Å²	50	57 Å²	57	26%	0.262	30%	0.298	S	S	.	.	S	Bend	trans	-122.5	163.6	-177.6	-62.2	176.9	0	0	0	110	E728 T737 G772 H806	E728-L775 HydrophobicContact CG-CD1 3.97Å; E728-L775 WeakPolarHBondContact OE1-CD1 3.26Å; E728-L775 WeakPolarHBondContact OE2-CD1 3.42Å; T737-L775 HydrophobicContact CG2-CB 4.34Å; T737-L775 HydrophobicContact CG2-CD1 4.31Å; G772-L775 PolarHBondContact O-N 2.8Å; L775-H806 PolarHBondContact O-CE1 3.13Å; L775-H806 PolarHBondContact O-NE2 2.98Å
776	R	96.5	Very high	93.9	Very high	142 Å²	142	51.8 Å²	51.8	54%	0.536	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	146.8	172.1	-63	176.2	65.6	-159.9	1.5	109.8	E734 G736 T737 L778	E734-R776 IonicContact OE1-CZ 3.91Å; E734-R776 IonicContact OE1-NH1 2.91Å; E734-R776 PolarHBondContact OE1-NH1 3.14Å; G736-R776 CarbonylContact C-O 3.51Å; G736-R776 WeakPolarHBondContact CA-O 3.43Å; T737-R776 PolarHBondContact N-O 3.03Å; R776-L778 HydrophobicContact CB-CD2 4.35Å; R776-L778 PolarHBondContact O-N 2.71Å
777	I	96.9	Very high	93.8	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	118.4	166	-53.1	175.4	0	0	0	107.1	T737 C739 H802 C804	T737-I777 WeakPolarHBondContact OG1-CG1 3.39Å; C739-I777 HydrophobicContact CB-CG2 4.18Å; I777-H802 HydrophobicContact CG2-CB 4.26Å; I777-H802 PolarHBondContact O-CD2 2.97Å; I777-C804 HydrophobicContact CD1-CB 4.09Å; I777-C804 WeakPolarHBondContact CD1-O 3.21Å
778	L	97.1	Very high	94	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-20.3	-172.2	-72.4	179.4	0	0	0	113.7	I729 V731 E734 G736 T737 R776 V799 G800	I729-L778 HydrophobicContact CG2-CB 4.13Å; I729-L778 HydrophobicContact CG2-CD1 4.42Å; V731-L778 HydrophobicContact CB-CD1 4.3Å; V731-L778 HydrophobicContact CG2-CD1 4.27Å; E734-L778 HydrophobicContact CG-CD1 4.48Å; G736-L778 VanDerWaalsContact CA-CD1 3.47Å; G736-L778 VanDerWaalsContact N-CD1 3.34Å; T737-L778 PolarHBondContact O-N 2.73Å; R776-L778 HydrophobicContact CB-CD2 4.35Å; R776-L778 PolarHBondContact O-N 2.71Å; L778-V799 HydrophobicContact CD2-CG1 4.31Å; L778-V799 CarbonylContact O-C 3.39Å; L778-V799 VanDerWaalsContact O-CA 3.3Å; L778-V799 WeakPolarHBondContact O-CA 3.02Å; L778-G800 PolarHBondContact O-N 3.3Å
779	L	96.9	Very high	93.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.7	178.4	-72.1	-177.6	0	0	0	111	I729 V738 C739 V782 L791 L792 H796 V799	I729-L779 HydrophobicContact CD1-CD1 3.49Å; I729-L779 VanDerWaalsContact CD1-CD1 3.49Å; I729-L779 HydrophobicContact CD1-CG 4.43Å; I729-L779 HydrophobicContact CG2-CD1 4.28Å; I729-L779 HydrophobicContact CG2-CG 4.4Å; V738-L779 HydrophobicContact CG1-CB 4Å; V738-L779 HydrophobicContact CG2-CB 4.3Å; C739-L779 PolarHBondContact N-O 2.99Å; L779-V782 HydrophobicContact CB-CG2 3.71Å; L779-V782 HydrophobicContact CD1-CG2 4.35Å; L779-L791 HydrophobicContact CD1-CB 3.94Å; L779-L792 HydrophobicContact CD1-CD2 4.12Å; L779-L792 HydrophobicContact CD2-CD2 3.92Å; L779-L792 HydrophobicContact CG-CD2 4.4Å; L779-H796 HydrophobicContact CD2-CB 4.29Å; L779-V799 HydrophobicContact CD2-CG2 4.21Å
780	D	96.2	Very high	94.1	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.011	30%	0.295	C	S	.	.			trans	-149.7	160	-179	-167	9.3	0	0	0	109.7	C739 V782 A797 H802 N803 C804	C739-D780 HydrophobicContact CB-CB 4.19Å; C739-D780 WeakPolarHBondContact CB-OD1 3.35Å; D780-V782 PolarHBondContact O-N 3.35Å; D780-A797 HydrophobicContact CB-CB 4.41Å; D780-A797 PolarHBondContact O-N 3.48Å; D780-H802 HydrophobicContact CB-CB 3.52Å; D780-H802 WeakPolarHBondContact OD2-CA 3.45Å; D780-H802 VanDerWaalsContact OD2-CB 3.24Å; D780-H802 WeakPolarHBondContact OD2-CB 3.37Å; D780-N803 PolarHBondContact OD2-N 2.82Å; D780-N803 PolarHBondContact OD2-OD1 3.43Å; D780-C804 VanDerWaalsContact CG-SG 3.56Å; D780-C804 PolarHBondContact OD1-SG 2.88Å; D780-C804 VanDerWaalsContact OD1-SG 3.32Å; D780-C804 PolarHBondContact OD2-SG 2.91Å
781	D	95.2	Very high	94.2	Very high	67 Å²	67	53.1 Å²	53.1	36%	0.358	28%	0.278	S	S	.	.	S	Bend	trans	48.5	39.1	-172.2	-74.4	-40.6	0	0	0	112.3	L742 H783 A797	L742-D781 HydrophobicContact CD1-CB 4.14Å; D781-H783 PolarHBondContact O-N 2.8Å; D781-A797 HydrophobicContact CB-CB 4.22Å
782	V	95.9	Very high	94.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.27	C	S	.	.			trans	-73.4	118.3	-173.8	-168.5	0	0	0	0	108.4	V738 W743 N747 L779 D780 L791 C794 I795 H796	V738-V782 HydrophobicContact CG1-CG2 3.81Å; W743-V782 HydrophobicContact CE3-CB 4.19Å; W743-V782 HydrophobicContact CZ3-CB 4.08Å; W743-V782 HydrophobicContact CZ3-CG1 4.18Å; W743-V782 HydrophobicContact CZ3-CG2 4.46Å; N747-V782 WeakPolarHBondContact ND2-CG1 3.48Å; N747-V782 PolarHBondContact ND2-O 3.18Å; L779-V782 HydrophobicContact CB-CG2 3.71Å; L779-V782 HydrophobicContact CD1-CG2 4.35Å; D780-V782 PolarHBondContact O-N 3.35Å; V782-L791 HydrophobicContact CG1-CD2 4.25Å; V782-C794 HydrophobicContact CG1-CB 3.93Å; V782-I795 CarbonylContact C-O 3.59Å; V782-I795 WeakPolarHBondContact CA-O 3.49Å; V782-H796 HydrophobicContact CG2-CB 4.29Å
783	H	94.9	Very high	94.4	Very high	87 Å²	87	55.4 Å²	55.4	40%	0.403	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-128.6	109.3	-179.9	-169.7	71.3	0	0	0	110.8	D781 C794 I795	D781-H783 PolarHBondContact O-N 2.8Å; H783-C794 WeakPolarHBondContact O-CB 3.23Å; H783-I795 HydrophobicContact CB-CB 4.38Å; H783-I795 PolarHBondContact N-O 3.21Å; H783-I795 PolarHBondContact O-N 2.98Å
784	C	96.1	Very high	94.7	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.02	26%	0.264	C	S	.	.			trans	-110.4	154.1	-177.7	-55.8	0	0	0	0	111.6	K746 N747 V750 C794	K746-C784 WeakPolarHBondContact CB-O 3.11Å; N747-C784 PolarHBondContact ND2-N 3.03Å; N747-C784 PolarHBondContact ND2-SG 2.81Å; V750-C784 HydrophobicContact CG2-CB 3.96Å; C784-C794 HydrophobicContact CB-CB 4Å; C784-C794 WeakPolarHBondContact CB-SG 3.43Å; C784-C794 WeakPolarHBondContact SG-CB 3.36Å; C784-C794 CovalentContact SG-SG 2.03Å; C784-C794 PolarHBondContact SG-SG 3.42Å
785	N	92.8	Very high	95.1	Very high	117 Å²	117	51 Å²	51	63%	0.626	26%	0.256	S	S	*	.			trans	-89.9	-5.1	167.2	-67.7	-51.1	0	0	0	113	E788	N785-E788 WeakPolarHBondContact CB-OE1 3.47Å; N785-E788 VanDerWaalsContact N-CD 3.3Å; N785-E788 PolarHBondContact N-OE1 3.16Å; N785-E788 PolarHBondContact N-OE2 3.09Å; N785-E788 VanDerWaalsContact N-OE2 3.15Å
786	G	90.9	Very high	95.2	Very high	6 Å²	6	51.1 Å²	51.1	6%	0.062	26%	0.255	C	S	.	.	S	Bend	trans	95.2	-9.2	179.2	0	0	0	0	0	114.6	K746 R753 E788	K746-G786 WeakPolarHBondContact O-CA 3.5Å; R753-G786 PolarHBondContact NH2-O 2.89Å; G786-E788 PolarHBondContact N-OE2 3.38Å
787	T	91.9	Very high	94.9	Very high	119 Å²	119	46 Å²	46	73%	0.73	24%	0.243	S	C	*	.			trans	-110.1	-5.5	-171.8	60.6	0	0	0	0	113.8	R753	R753-T787 VanDerWaalsContact NH2-C 3.3Å; R753-T787 PolarHBondContact NH2-O 3.24Å
788	E	96.9	Very high	94.7	Very high	26 Å²	26	47 Å²	47	12%	0.121	25%	0.254	C	S	.	.			trans	-63.5	143.7	-176.9	-67.8	81.3	-178.5	0	0	112.7	V750 R753 N785 G786 N790 N793 C794	V750-E788 HydrophobicContact CG1-CB 4.45Å; V750-E788 HydrophobicContact CG2-CB 4.04Å; V750-E788 WeakPolarHBondContact CG2-OE2 3.43Å; R753-E788 PolarHBondContact NH1-O 3.29Å; R753-E788 PolarHBondContact NH2-O 3.19Å; N785-E788 WeakPolarHBondContact CB-OE1 3.47Å; N785-E788 VanDerWaalsContact N-CD 3.3Å; N785-E788 PolarHBondContact N-OE1 3.16Å; N785-E788 PolarHBondContact N-OE2 3.09Å; N785-E788 VanDerWaalsContact N-OE2 3.15Å; G786-E788 PolarHBondContact N-OE2 3.38Å; E788-N790 VanDerWaalsContact C-N 3.31Å; E788-N790 PolarHBondContact O-N 2.87Å; E788-N793 HydrophobicContact CB-CB 4.1Å; E788-N793 HydrophobicContact CG-CB 4.44Å; E788-C794 HydrophobicContact CG-CB 4.5Å
789	F	91.2	Very high	94.6	Very high	161 Å²	161	49.8 Å²	49.8	71%	0.706	27%	0.272	S	S	*	.	S	Bend	trans	-62.9	-38.3	-177.1	-175.3	-96.4	0	0	0	112.9	Q754	Q754-F789 WeakPolarHBondContact CG-O 3.24Å
790	N	95.8	Very high	94.2	Very high	17 Å²	17	51.1 Å²	51.1	9%	0.091	29%	0.285	C	S	.	.	S	Bend	trans	-151	172.6	172.9	64.1	48.3	0	0	0	111.2	Q754 E788 L792 N793	Q754-N790 VanDerWaalsContact CD-CA 3.49Å; E788-N790 VanDerWaalsContact C-N 3.31Å; E788-N790 PolarHBondContact O-N 2.87Å; N790-L792 PolarHBondContact O-N 3.37Å; N790-L792 WeakPolarHBondContact OD1-CA 3.41Å; N790-L792 VanDerWaalsContact OD1-CB 3.24Å; N790-L792 WeakPolarHBondContact OD1-CB 3.27Å; N790-L792 PolarHBondContact OD1-N 3.4Å; N790-N793 VanDerWaalsContact CG-OD1 3.25Å; N790-N793 PolarHBondContact N-OD1 3.26Å; N790-N793 PolarHBondContact ND2-OD1 3.06Å; N790-N793 WeakPolarHBondContact O-CB 3.21Å; N790-N793 PolarHBondContact O-N 3.03Å; N790-N793 PolarHBondContact OD1-N 3.35Å; N790-N793 PolarHBondContact OD1-OD1 3.15Å; N790-N793 VanDerWaalsContact OD1-OD1 3.04Å
791	L	95.4	Very high	94	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.8	-28.1	179.2	-69.4	-179.8	0	0	0	114.5	V712 V727 I729 V738 W743 V750 V751 L779 V782 N793 C794	V712-L791 HydrophobicContact CG1-CD1 3.95Å; V712-L791 HydrophobicContact CG1-CG 4.39Å; V727-L791 HydrophobicContact CG1-CD1 4.1Å; I729-L791 HydrophobicContact CD1-CB 3.87Å; I729-L791 HydrophobicContact CD1-CD1 4.39Å; V738-L791 HydrophobicContact CG2-CD1 4.18Å; W743-L791 HydrophobicContact CH2-CD1 3.86Å; W743-L791 HydrophobicContact CH2-CD2 3.87Å; W743-L791 HydrophobicContact CZ3-CD1 4.32Å; W743-L791 HydrophobicContact CZ3-CD2 4.05Å; V750-L791 HydrophobicContact CB-CD2 4.36Å; V750-L791 HydrophobicContact CG1-CD2 4.16Å; V751-L791 HydrophobicContact CG2-CD1 3.71Å; V751-L791 HydrophobicContact CG2-CD2 3.78Å; V751-L791 HydrophobicContact CG2-CG 3.89Å; L779-L791 HydrophobicContact CD1-CB 3.94Å; V782-L791 HydrophobicContact CG1-CD2 4.25Å; L791-N793 PolarHBondContact O-N 2.94Å; L791-C794 WeakPolarHBondContact O-CB 3.35Å; L791-C794 PolarHBondContact O-N 3.49Å
792	L	95.3	Very high	94	Very high	39 Å²	39	56.2 Å²	56.2	20%	0.204	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-71.9	-9.5	174.7	-59	175.5	0	0	0	113	N709 I729 V731 L779 N790 V799	N709-L792 HydrophobicContact CB-CD1 3.95Å; I729-L792 HydrophobicContact CD1-CD2 4Å; I729-L792 HydrophobicContact CD1-CG 3.95Å; V731-L792 HydrophobicContact CG1-CD1 4.35Å; V731-L792 HydrophobicContact CG2-CD1 4.21Å; V731-L792 HydrophobicContact CG2-CD2 3.99Å; L779-L792 HydrophobicContact CD1-CD2 4.12Å; L779-L792 HydrophobicContact CD2-CD2 3.92Å; L779-L792 HydrophobicContact CG-CD2 4.4Å; N790-L792 PolarHBondContact O-N 3.37Å; N790-L792 WeakPolarHBondContact OD1-CA 3.41Å; N790-L792 VanDerWaalsContact OD1-CB 3.24Å; N790-L792 WeakPolarHBondContact OD1-CB 3.27Å; N790-L792 PolarHBondContact OD1-N 3.4Å; L792-V799 HydrophobicContact CD2-CG2 3.95Å
793	N	95.1	Very high	93.8	Very high	93 Å²	93	62.5 Å²	62.5	50%	0.497	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-96	-5.2	174.2	-62.2	123.6	0	0	0	113	E788 N790 L791	E788-N793 HydrophobicContact CB-CB 4.1Å; E788-N793 HydrophobicContact CG-CB 4.44Å; N790-N793 VanDerWaalsContact CG-OD1 3.25Å; N790-N793 PolarHBondContact N-OD1 3.26Å; N790-N793 PolarHBondContact ND2-OD1 3.06Å; N790-N793 WeakPolarHBondContact O-CB 3.21Å; N790-N793 PolarHBondContact O-N 3.03Å; N790-N793 PolarHBondContact OD1-N 3.35Å; N790-N793 PolarHBondContact OD1-OD1 3.15Å; N790-N793 VanDerWaalsContact OD1-OD1 3.04Å; L791-N793 PolarHBondContact O-N 2.94Å
794	C	95.7	Very high	93.8	Very high	10 Å²	10	58.9 Å²	58.9	7%	0.068	33%	0.328	C	S	.	.	S	Bend	trans	-77.8	168.7	170.2	-57.7	0	0	0	0	110.6	V782 H783 C784 E788 L791 H796	V782-C794 HydrophobicContact CG1-CB 3.93Å; H783-C794 WeakPolarHBondContact O-CB 3.23Å; C784-C794 HydrophobicContact CB-CB 4Å; C784-C794 WeakPolarHBondContact CB-SG 3.43Å; C784-C794 WeakPolarHBondContact SG-CB 3.36Å; C784-C794 CovalentContact SG-SG 2.03Å; C784-C794 PolarHBondContact SG-SG 3.42Å; E788-C794 HydrophobicContact CG-CB 4.5Å; L791-C794 WeakPolarHBondContact O-CB 3.35Å; L791-C794 PolarHBondContact O-N 3.49Å; C794-H796 PolarHBondContact O-CD2 3.17Å
795	I	95.8	Very high	93.8	Very high	123 Å²	123	60.7 Å²	60.7	63%	0.631	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-71	135.5	167.3	-61.6	173	0	0	0	107	V782 H783	V782-I795 CarbonylContact C-O 3.59Å; V782-I795 WeakPolarHBondContact CA-O 3.49Å; H783-I795 HydrophobicContact CB-CB 4.38Å; H783-I795 PolarHBondContact N-O 3.21Å; H783-I795 PolarHBondContact O-N 2.98Å
796	H	96.3	Very high	94	Very high	53 Å²	53	56.8 Å²	56.8	25%	0.245	32%	0.321	C	S	.	.			trans	-157.5	161.8	178.9	61.8	85.1	0	0	0	110.6	L779 V782 C794 G798	L779-H796 HydrophobicContact CD2-CB 4.29Å; V782-H796 HydrophobicContact CG2-CB 4.29Å; C794-H796 PolarHBondContact O-CD2 3.17Å; H796-G798 WeakPolarHBondContact ND1-CA 3.49Å; H796-G798 PolarHBondContact ND1-N 2.82Å; H796-G798 VanDerWaalsContact ND1-N 3.13Å; H796-G798 PolarHBondContact O-N 2.87Å
797	A	91.4	Very high	94.1	Very high	34 Å²	34	62.7 Å²	62.7	28%	0.281	34%	0.342	S	S	.	.	S	Bend	trans	-69	3.8	-176.4	0	0	0	0	0	115.6	D780 D781 N801	D780-A797 HydrophobicContact CB-CB 4.41Å; D780-A797 PolarHBondContact O-N 3.48Å; D781-A797 HydrophobicContact CB-CB 4.22Å; A797-N801 WeakPolarHBondContact O-CB 3.45Å; A797-N801 PolarHBondContact O-ND2 3.15Å
798	G	91.9	Very high	94.3	Very high	27 Å²	27	58.6 Å²	58.6	28%	0.278	32%	0.315	S	S	.	.			trans	94.8	153.8	-168.6	0	0	0	0	0	113.3	H796 G800 N801	H796-G798 WeakPolarHBondContact ND1-CA 3.49Å; H796-G798 PolarHBondContact ND1-N 2.82Å; H796-G798 VanDerWaalsContact ND1-N 3.13Å; H796-G798 PolarHBondContact O-N 2.87Å; G798-G800 PolarHBondContact O-N 3.33Å; G798-N801 PolarHBondContact O-N 2.9Å
799	V	94.1	Very high	94.4	Very high	62 Å²	62	57.4 Å²	57.4	38%	0.376	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	124.7	-176.1	177.3	0	0	0	0	110.7	V731 L778 L779 L792 N801	V731-V799 HydrophobicContact CB-CG1 4.29Å; V731-V799 HydrophobicContact CG1-CG1 3.84Å; V731-V799 HydrophobicContact CG1-CG2 4.1Å; L778-V799 HydrophobicContact CD2-CG1 4.31Å; L778-V799 CarbonylContact O-C 3.39Å; L778-V799 VanDerWaalsContact O-CA 3.3Å; L778-V799 WeakPolarHBondContact O-CA 3.02Å; L779-V799 HydrophobicContact CD2-CG2 4.21Å; L792-V799 HydrophobicContact CD2-CG2 3.95Å; V799-N801 PolarHBondContact O-N 2.94Å
800	G	89.6	Confident	94.7	Very high	27 Å²	27	49.8 Å²	49.8	28%	0.278	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	9.8	179.5	0	0	0	0	0	114.8	L778 G798	L778-G800 PolarHBondContact O-N 3.3Å; G798-G800 PolarHBondContact O-N 3.33Å
801	N	92.6	Very high	94.7	Very high	102 Å²	102	49 Å²	49	55%	0.545	27%	0.272	S	S	.	.			trans	-102	109.4	170.9	-177.1	31.1	0	0	0	108.2	A797 G798 V799	A797-N801 WeakPolarHBondContact O-CB 3.45Å; A797-N801 PolarHBondContact O-ND2 3.15Å; G798-N801 PolarHBondContact O-N 2.9Å; V799-N801 PolarHBondContact O-N 2.94Å
802	H	95.2	Very high	94.8	Very high	75 Å²	75	49 Å²	49	35%	0.347	27%	0.272	S	S	.	.			trans	-153.3	157.5	-177.9	69.9	90.8	0	0	0	110.6	I777 D780 C804	I777-H802 HydrophobicContact CG2-CB 4.26Å; I777-H802 PolarHBondContact O-CD2 2.97Å; D780-H802 HydrophobicContact CB-CB 3.52Å; D780-H802 WeakPolarHBondContact OD2-CA 3.45Å; D780-H802 VanDerWaalsContact OD2-CB 3.24Å; D780-H802 WeakPolarHBondContact OD2-CB 3.37Å; H802-C804 PolarHBondContact CE1-O 3.2Å; H802-C804 VanDerWaalsContact CE1-O 3.29Å; H802-C804 PolarHBondContact ND1-N 2.74Å; H802-C804 PolarHBondContact ND1-O 2.03Å
803	N	91.8	Very high	94.8	Very high	132 Å²	132	48.3 Å²	48.3	71%	0.706	27%	0.268	S	S	*	.			trans	-110.3	0.9	167.2	64.1	-16.5	0	0	0	112.9	D780	D780-N803 PolarHBondContact OD2-N 2.82Å; D780-N803 PolarHBondContact OD2-OD1 3.43Å
804	C	94.9	Very high	94.8	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.074	25%	0.245	C	C	.	.			trans	-75.8	162	-177.8	-50.5	0	0	0	0	115	C739 I777 D780 H802 E808	C739-C804 HydrophobicContact CB-CB 3.69Å; C739-C804 WeakPolarHBondContact CB-SG 3.34Å; C739-C804 WeakPolarHBondContact SG-CB 3.23Å; C739-C804 CovalentContact SG-SG 2.02Å; C739-C804 PolarHBondContact SG-SG 3.27Å; I777-C804 HydrophobicContact CD1-CB 4.09Å; I777-C804 WeakPolarHBondContact CD1-O 3.21Å; D780-C804 VanDerWaalsContact CG-SG 3.56Å; D780-C804 PolarHBondContact OD1-SG 2.88Å; D780-C804 VanDerWaalsContact OD1-SG 3.32Å; D780-C804 PolarHBondContact OD2-SG 2.91Å; H802-C804 PolarHBondContact CE1-O 3.2Å; H802-C804 VanDerWaalsContact CE1-O 3.29Å; H802-C804 PolarHBondContact ND1-N 2.74Å; H802-C804 PolarHBondContact ND1-O 2.03Å; C804-E808 WeakPolarHBondContact CA-OE2 3.43Å; C804-E808 HydrophobicContact CB-CB 4.1Å; C804-E808 VanDerWaalsContact CB-OE2 3.31Å; C804-E808 WeakPolarHBondContact CB-OE2 3.46Å
805	A	94.8	Very high	94.6	Very high	40 Å²	40	43.8 Å²	43.8	33%	0.331	25%	0.245	S	C	.	.			trans	-114.9	168.5	165.3	0	0	0	0	0	111.2	Y807 E808	A805-Y807 HydrophobicContact CB-CD1 3.74Å; A805-Y807 HydrophobicContact CB-CE1 3.49Å; A805-Y807 VanDerWaalsContact CB-CE1 3.49Å; A805-Y807 PolarHBondContact O-N 3.36Å; A805-Y807 VanDerWaalsContact O-N 3.08Å; A805-E808 PolarHBondContact N-OE2 3.42Å; A805-E808 WeakPolarHBondContact O-CB 3.03Å; A805-E808 PolarHBondContact O-N 3.48Å
806	H	96.9	Very high	94.2	Very high	35 Å²	35	42.2 Å²	42.2	16%	0.162	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-66.8	-13.6	-171.9	-76.7	-66.6	0	0	0	115.7	A767 E771 G772 K773 L775 E808 D809	A767-H806 WeakPolarHBondContact CB-O 3.48Å; E771-H806 HydrophobicContact CB-CB 4Å; E771-H806 HydrophobicContact CG-CB 4.41Å; E771-H806 WeakPolarHBondContact CG-O 3.37Å; G772-H806 PolarHBondContact O-CE1 3.22Å; K773-H806 HydrophobicContact CG-CB 4.38Å; L775-H806 PolarHBondContact O-CE1 3.13Å; L775-H806 PolarHBondContact O-NE2 2.98Å; H806-E808 PolarHBondContact O-N 3.03Å; H806-D809 IonicContact CG-OD2 3.11Å; H806-D809 IonicContact ND1-OD1 2.78Å; H806-D809 PolarHBondContact ND1-OD1 3.38Å; H806-D809 IonicContact ND1-OD2 2.96Å; H806-D809 PolarHBondContact ND1-OD2 2.96Å; H806-D809 WeakPolarHBondContact O-CB 3.5Å; H806-D809 VanDerWaalsContact O-CG 3.28Å; H806-D809 PolarHBondContact O-N 3.2Å
807	Y	93.4	Very high	93.5	Very high	131 Å²	131	44.2 Å²	44.2	51%	0.514	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-68.1	-11.7	169.4	69.9	-100.3	0	0	0	112.2	N766 A767 E771 A805	N766-Y807 CarbonylContact C-O 3.58Å; N766-Y807 WeakPolarHBondContact CA-O 3.36Å; A767-Y807 WeakPolarHBondContact CB-O 3.32Å; A767-Y807 PolarHBondContact N-O 3.1Å; A767-Y807 VanDerWaalsContact N-O 3.14Å; E771-Y807 PolarHBondContact OE2-N 2.96Å; A805-Y807 HydrophobicContact CB-CD1 3.74Å; A805-Y807 HydrophobicContact CB-CE1 3.49Å; A805-Y807 VanDerWaalsContact CB-CE1 3.49Å; A805-Y807 PolarHBondContact O-N 3.36Å; A805-Y807 VanDerWaalsContact O-N 3.08Å
808	E	96.7	Very high	92.2	Very high	32 Å²	32	48.2 Å²	48.2	15%	0.15	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-100.5	14	174.9	-69.2	153.2	154.7	0	0	111.7	C739 D740 C804 A805 H806 A810	C739-E808 CarbonylContact C-O 3.04Å; C739-E808 WeakPolarHBondContact CA-O 3.08Å; D740-E808 WeakPolarHBondContact CB-O 3.2Å; D740-E808 VanDerWaalsContact CG-O 3.3Å; D740-E808 PolarHBondContact N-O 2.84Å; D740-E808 WeakPolarHBondContact OD1-CB 3.38Å; C804-E808 WeakPolarHBondContact CA-OE2 3.43Å; C804-E808 HydrophobicContact CB-CB 4.1Å; C804-E808 VanDerWaalsContact CB-OE2 3.31Å; C804-E808 WeakPolarHBondContact CB-OE2 3.46Å; A805-E808 PolarHBondContact N-OE2 3.42Å; A805-E808 WeakPolarHBondContact O-CB 3.03Å; A805-E808 PolarHBondContact O-N 3.48Å; H806-E808 PolarHBondContact O-N 3.03Å; E808-A810 PolarHBondContact O-N 3.43Å
809	D	97.6	Very high	90.5	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.011	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-65.5	126.6	178.4	-78.1	-23	0	0	0	111.3	R726 T737 A767 G772 H806	R726-D809 HydrophobicContact CG-CB 4.26Å; T737-D809 WeakPolarHBondContact CB-OD1 3.46Å; T737-D809 WeakPolarHBondContact CG2-OD2 3.46Å; T737-D809 PolarHBondContact OG1-OD1 3.33Å; A767-D809 VanDerWaalsContact CA-O 3.25Å; A767-D809 WeakPolarHBondContact CA-O 3.3Å; A767-D809 HydrophobicContact CB-CB 4.31Å; A767-D809 PolarHBondContact N-O 2.64Å; A767-D809 VanDerWaalsContact N-O 3.12Å; G772-D809 WeakPolarHBondContact CA-OD2 3.4Å; G772-D809 PolarHBondContact N-OD2 3.44Å; H806-D809 IonicContact CG-OD2 3.11Å; H806-D809 IonicContact ND1-OD1 2.78Å; H806-D809 PolarHBondContact ND1-OD1 3.38Å; H806-D809 IonicContact ND1-OD2 2.96Å; H806-D809 PolarHBondContact ND1-OD2 2.96Å; H806-D809 WeakPolarHBondContact O-CB 3.5Å; H806-D809 VanDerWaalsContact O-CG 3.28Å; H806-D809 PolarHBondContact O-N 3.2Å
810	A	97.7	Very high	88.3	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.293	C	S	.	.			trans	-77.3	147	-178	0	0	0	0	0	112.9	V727 V738 D740 W743 E808	V727-A810 PolarHBondContact N-O 2.86Å; V738-A810 HydrophobicContact CB-CB 4.32Å; V738-A810 HydrophobicContact CG1-CB 4.42Å; V738-A810 VanDerWaalsContact O-CB 3.25Å; V738-A810 WeakPolarHBondContact O-CB 3.45Å; V738-A810 PolarHBondContact O-N 3.25Å; D740-A810 HydrophobicContact CB-CB 4.03Å; W743-A810 HydrophobicContact CD2-CB 3.69Å; W743-A810 HydrophobicContact CE3-CB 4.22Å; W743-A810 HydrophobicContact CG-CB 3.88Å; W743-A810 HydrophobicContact CZ2-CB 4.15Å; E808-A810 PolarHBondContact O-N 3.43Å
811	G	97.3	Very high	85.7	Confident	2 Å²	2	58.2 Å²	58.2	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	172.8	177.2	0	0	0	0	0	112.7	G725 W743 A764	G725-G811 WeakPolarHBondContact O-CA 3.21Å; W743-G811 PolarHBondContact NE1-O 2.9Å; W743-G811 VanDerWaalsContact NE1-O 3.07Å; A764-G811 PolarHBondContact N-O 3.04Å; A764-G811 PolarHBondContact O-N 3.37Å
812	V	97.3	Very high	83.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.9	172.1	-61.8	0	0	0	0	112.1	L714 R724 G725 V727 W743 A748 V751 K762	L714-V812 HydrophobicContact CD1-CG2 4.09Å; L714-V812 HydrophobicContact CD2-CG2 3.51Å; L714-V812 HydrophobicContact CG-CG2 4.46Å; R724-V812 VanDerWaalsContact CA-O 3.31Å; R724-V812 WeakPolarHBondContact CA-O 3.44Å; G725-V812 PolarHBondContact N-O 3.39Å; G725-V812 VanDerWaalsContact N-O 3.17Å; G725-V812 PolarHBondContact O-N 3.23Å; V727-V812 HydrophobicContact CG2-CB 4.34Å; V727-V812 HydrophobicContact CG2-CG1 3.76Å; V727-V812 HydrophobicContact CG2-CG2 3.93Å; W743-V812 HydrophobicContact CZ2-CG1 4.02Å; A748-V812 HydrophobicContact CB-CB 4.3Å; A748-V812 HydrophobicContact CB-CG1 3.58Å; V751-V812 HydrophobicContact CB-CG1 4.11Å; V751-V812 HydrophobicContact CB-CG2 4.48Å; V751-V812 HydrophobicContact CG1-CG1 4.15Å; V751-V812 HydrophobicContact CG1-CG2 3.77Å; V751-V812 HydrophobicContact CG2-CG1 4.44Å; K762-V812 WeakPolarHBondContact O-CA 3.39Å
813	I	95.1	Very high	82.5	Confident	24 Å²	24	63.1 Å²	63.1	12%	0.123	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.1	160.3	-53.6	179.6	0	0	0	107.4	R724 L761 K762 F769	R724-I813 HydrophobicContact CB-CB 4.36Å; R724-I813 HydrophobicContact CB-CG1 3.95Å; R724-I813 HydrophobicContact CB-CG2 4.26Å; L761-I813 HydrophobicContact CB-CB 4.35Å; L761-I813 HydrophobicContact CB-CG2 4.13Å; L761-I813 HydrophobicContact CD1-CG2 4.24Å; L761-I813 PolarHBondContact N-O 3.42Å; K762-I813 HydrophobicContact CB-CB 3.89Å; K762-I813 HydrophobicContact CB-CD1 4.02Å; K762-I813 HydrophobicContact CB-CG1 3.96Å; K762-I813 HydrophobicContact CD-CD1 3.84Å; K762-I813 HydrophobicContact CD-CG1 4.41Å; K762-I813 PolarHBondContact N-O 3.35Å; K762-I813 VanDerWaalsContact N-O 3.14Å; K762-I813 PolarHBondContact O-N 3.35Å; F769-I813 HydrophobicContact CE2-CG1 4.28Å; F769-I813 HydrophobicContact CZ-CD1 4.18Å; F769-I813 HydrophobicContact CZ-CG1 3.76Å
814	C	95.6	Very high	82	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	158.6	-177.5	-55	0	0	0	0	111.4	D723 C752 F757	D723-C814 WeakPolarHBondContact CB-O 3.25Å; D723-C814 WeakPolarHBondContact O-CB 3.44Å; D723-C814 PolarHBondContact O-N 2.8Å; C752-C814 WeakPolarHBondContact CA-SG 3.39Å; C752-C814 HydrophobicContact CB-CB 3.66Å; C752-C814 WeakPolarHBondContact CB-SG 3.24Å; C752-C814 WeakPolarHBondContact SG-CA 3.3Å; C752-C814 WeakPolarHBondContact SG-CB 3.36Å; C752-C814 CovalentContact SG-SG 2.04Å; C752-C814 PolarHBondContact SG-SG 3.46Å; F757-C814 HydrophobicContact CB-CB 3.68Å; F757-C814 HydrophobicContact CD1-CB 3.83Å; F757-C814 HydrophobicContact CD2-CB 3.44Å; F757-C814 VanDerWaalsContact CD2-CB 3.44Å; F757-C814 HydrophobicContact CE1-CB 4.31Å; F757-C814 HydrophobicContact CE2-CB 3.98Å; F757-C814 HydrophobicContact CG-CB 3.36Å; F757-C814 HydrophobicContact CZ-CB 4.39Å
815	G	91.3	Very high	81.3	Confident	8 Å²	8	62.1 Å²	62.1	8%	0.082	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	159.9	-177.9	0	0	0	0	0	113.3	K758 Y759	K758-G815 PolarHBondContact N-O 3.19Å; K758-G815 VanDerWaalsContact N-O 3.15Å; Y759-G815 PolarHBondContact N-O 2.04Å; Y759-G815 PolarHBondContact O-N 2.81Å
816	N	87.4	Confident	80.5	Confident	90 Å²	90	63.4 Å²	63.4	48%	0.481	33%	0.33	S	S	.	.	S	Bend	trans	-107.6	-6.3	174.1	-74.4	-38.6	0	0	0	113.6	F757 K758	F757-N816 WeakPolarHBondContact CA-OD1 3.35Å; K758-N816 PolarHBondContact N-OD1 3.11Å
817	S	80.8	Confident	79.5	Confident	95 Å²	95	65.2 Å²	65.2	66%	0.664	34%	0.341	S	S	*	.	S	Bend	trans	-99.8	138.9	173.3	-58	0	0	0	0	108.8	Y759	Y759-S817 WeakPolarHBondContact CD2-O 3.39Å; Y759-S817 VanDerWaalsContact CE2-C 3.48Å
818	K	64	Low	78.5	Confident	118 Å²	118	60.8 Å²	60.8	51%	0.513	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-58.7	124.5	-179.1	-155.6	178.7	-175.2	-136	0	107.3	Y759 S820 E821	Y759-K818 HydrophobicContact CD1-CG 4.38Å; Y759-K818 HydrophobicContact CE1-CB 4.14Å; Y759-K818 HydrophobicContact CE1-CG 3.66Å; Y759-K818 VanDerWaalsContact CE2-CA 3.43Å; Y759-K818 HydrophobicContact CE2-CB 4.03Å; Y759-K818 HydrophobicContact CE2-CG 4.45Å; Y759-K818 VanDerWaalsContact CE2-N 3.28Å; K818-S820 PolarHBondContact O-N 3.29Å; K818-E821 WeakPolarHBondContact CE-OE1 3.28Å; K818-E821 IonicContact NZ-OE1 3.06Å; K818-E821 PolarHBondContact NZ-OE1 3.39Å; K818-E821 IonicContact NZ-OE2 2.82Å; K818-E821 PolarHBondContact NZ-OE2 3.37Å; K818-E821 VanDerWaalsContact NZ-OE2 3.11Å
819	P	56.8	Low	77.2	Confident	56 Å²	56	62.9 Å²	62.9	36%	0.364	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-55.5	127.1	167.4	22.7	-28.7	0	0	0	105.7	Y759 L761 E821	Y759-P819 VanDerWaalsContact CD1-CD 3.5Å; Y759-P819 HydrophobicContact CD1-CG 4.42Å; Y759-P819 VanDerWaalsContact CG-CD 3.46Å; L761-P819 HydrophobicContact CD2-CB 4.09Å; L761-P819 HydrophobicContact CD2-CG 4.44Å; P819-E821 PolarHBondContact O-N 3.24Å
820	S	48.7	Very low	75.7	Confident	112 Å²	112	67.5 Å²	67.5	78%	0.783	37%	0.367	S	S	*	.			trans	-54.9	115.6	170.9	39.4	0	0	0	0	106	K818 E822	K818-S820 PolarHBondContact O-N 3.29Å; S820-E822 PolarHBondContact O-N 3.2Å
821	E	35	Very low	73.8	Confident	157 Å²	157	73.2 Å²	73.2	73%	0.734	40%	0.398	S	S	*	.			trans	-60.5	109	176.3	-77.1	160.5	177.9	0	0	105.9	K818 P819	K818-E821 WeakPolarHBondContact CE-OE1 3.28Å; K818-E821 IonicContact NZ-OE1 3.06Å; K818-E821 PolarHBondContact NZ-OE1 3.39Å; K818-E821 IonicContact NZ-OE2 2.82Å; K818-E821 PolarHBondContact NZ-OE2 3.37Å; K818-E821 VanDerWaalsContact NZ-OE2 3.11Å; P819-E821 PolarHBondContact O-N 3.24Å
822	E	36.8	Very low	71.7	Confident	216 Å²	216	79.6 Å²	79.6	100%	1.009	43%	0.432	S	S	*	.			trans	-64.4	0	171.2	-85.1	174.6	160.9	0	0	110.8	S820	S820-E822 PolarHBondContact O-N 3.2Å

Retrieved 822 of 822 residues in 224.8 ms (Link to these results)

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