A0A087Y0U1_POEFO Loading...

Midline 2

AlphaFold DB , UniProt , Accession A0A087Y0U1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 772 aa.

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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	50.5	Low	75	Confident	172 Å²	172	87.7 Å²	87.7	85%	0.847	47%	0.465	S	S	*	.				0	-38.3	0	-144.8	173	-76.8	0	0	109.8	T3 L4 E5 F86	M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-E5 PolarHBondContact O-N 2.97Å; M1-F86 HydrophobicContact CG-CE2 4.27Å
2	E	48.1	Very low	76.3	Confident	170 Å²	170	85.5 Å²	85.5	79%	0.794	45%	0.453	S	S	*	.	H	α-helix	trans	-57.4	-32.7	175	-67.1	168.3	173.8	0	0	115.3	L4 S6	E2-L4 PolarHBondContact O-N 3.46Å; E2-S6 PolarHBondContact O-N 3.31Å
3	T	58	Low	77.4	Confident	112 Å²	112	83 Å²	83	69%	0.687	45%	0.445	S	S	*	.	H	α-helix	trans	-73.8	-22.4	178.1	52.5	0	0	0	0	114.4	M1 S6	M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.09Å; T3-S6 PolarHBondContact O-OG 2.81Å
4	L	69.7	Low	78.3	Confident	87 Å²	87	86.4 Å²	86.4	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-90	-29.4	178.6	-160.7	80	0	0	0	111	M1 E2 E7 L8 F86	M1-L4 PolarHBondContact O-N 3.19Å; E2-L4 PolarHBondContact O-N 3.46Å; L4-E7 PolarHBondContact O-N 3.43Å; L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.17Å; L4-F86 HydrophobicContact CD2-CD2 4.15Å; L4-F86 HydrophobicContact CD2-CE2 4.37Å
5	E	77.8	Confident	79.2	Confident	89 Å²	89	89.7 Å²	89.7	42%	0.416	47%	0.474	S	S	.	.	H	α-helix	trans	-66.2	-40.1	177.3	-170.1	166.1	-168.6	0	0	111.3	M1 E7 L8 T9 L16 F86	M1-E5 PolarHBondContact O-N 2.97Å; E5-E7 VanDerWaalsContact C-N 3.26Å; E5-E7 PolarHBondContact O-N 2.99Å; E5-L8 PolarHBondContact O-N 3.3Å; E5-T9 WeakPolarHBondContact O-CG2 3.29Å; E5-T9 PolarHBondContact O-N 3.24Å; E5-L16 HydrophobicContact CG-CD2 4.47Å; E5-F86 HydrophobicContact CB-CZ 4Å; E5-F86 HydrophobicContact CG-CE1 4.3Å; E5-F86 HydrophobicContact CG-CZ 4.19Å
6	S	75.7	Confident	79.9	Confident	77 Å²	77	86.5 Å²	86.5	54%	0.538	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.8	175.6	61.9	0	0	0	0	114.4	E2 T3 L8 T9	E2-S6 PolarHBondContact O-N 3.31Å; T3-S6 PolarHBondContact O-OG 2.81Å; S6-L8 VanDerWaalsContact C-N 3.34Å; S6-T9 PolarHBondContact O-OG1 2.9Å; S6-T9 VanDerWaalsContact O-OG1 3.14Å
7	E	82	Confident	80.7	Confident	147 Å²	147	82.5 Å²	82.5	69%	0.687	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.8	173.8	-67.2	-175.1	178.4	0	0	112.7	L4 E5	L4-E7 PolarHBondContact O-N 3.43Å; E5-E7 VanDerWaalsContact C-N 3.26Å; E5-E7 PolarHBondContact O-N 2.99Å
8	L	89.9	Confident	81.2	Confident	10 Å²	10	85.5 Å²	85.5	5%	0.052	45%	0.446	C	S	.	.	S	Bend	trans	-107.8	6.2	-178.2	-62.1	178.2	0	0	0	113.3	L4 E5 S6 L16 F17 L79 I82 I83 F86	L4-L8 WeakPolarHBondContact O-CG 3.47Å; L4-L8 PolarHBondContact O-N 3.17Å; E5-L8 PolarHBondContact O-N 3.3Å; S6-L8 VanDerWaalsContact C-N 3.34Å; L8-L16 HydrophobicContact CB-CD2 3.76Å; L8-L16 WeakPolarHBondContact O-CA 3.31Å; L8-F17 WeakPolarHBondContact O-CD2 3.41Å; L8-F17 PolarHBondContact O-N 3.35Å; L8-F17 VanDerWaalsContact O-N 3.12Å; L8-L79 HydrophobicContact CD2-CD1 3.68Å; L8-I82 HydrophobicContact CD1-CG2 4.08Å; L8-I82 HydrophobicContact CD2-CB 4.49Å; L8-I82 HydrophobicContact CD2-CG2 3.68Å; L8-I83 HydrophobicContact CB-CG1 4.3Å; L8-I83 HydrophobicContact CD2-CG1 4.25Å; L8-F86 HydrophobicContact CD1-CB 4.02Å; L8-F86 HydrophobicContact CD1-CD1 4.32Å; L8-F86 HydrophobicContact CD1-CD2 4.22Å; L8-F86 HydrophobicContact CD1-CG 3.93Å
9	T	91.1	Very high	81.7	Confident	41 Å²	41	83.7 Å²	83.7	25%	0.252	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-96.9	143.8	178.6	51.5	0	0	0	0	112.6	E5 S6 L14 E15 L16 F17	E5-T9 WeakPolarHBondContact O-CG2 3.29Å; E5-T9 PolarHBondContact O-N 3.24Å; S6-T9 PolarHBondContact O-OG1 2.9Å; S6-T9 VanDerWaalsContact O-OG1 3.14Å; T9-L14 WeakPolarHBondContact CG2-O 3.22Å; T9-E15 CarbonylContact C-O 3.54Å; T9-E15 VanDerWaalsContact CA-O 3.3Å; T9-E15 WeakPolarHBondContact CA-O 3.09Å; T9-L16 HydrophobicContact CG2-CD2 4.46Å; T9-F17 WeakPolarHBondContact O-CE2 3.3Å; T9-F17 WeakPolarHBondContact O-CZ 3.35Å
10	C	92.5	Very high	82.4	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	42%	0.416	C	S	.	.			trans	-76.8	132.4	176.3	-179.6	0	0	0	0	110.4	I12 C13 L14 E15 F17 C30	C10-I12 PolarHBondContact O-N 2.75Å; C10-C13 VanDerWaalsContact CB-SG 3.53Å; C10-L14 VanDerWaalsContact O-CA 3.26Å; C10-L14 WeakPolarHBondContact O-CA 3.4Å; C10-L14 PolarHBondContact O-N 3.06Å; C10-E15 PolarHBondContact N-O 3.38Å; C10-F17 VanDerWaalsContact CA-CE1 3.49Å; C10-F17 HydrophobicContact CB-CD1 3.62Å; C10-F17 HydrophobicContact CB-CE1 3.61Å; C10-F17 HydrophobicContact CB-CG 4.22Å; C10-F17 HydrophobicContact CB-CZ 4.23Å; C10-C30 WeakPolarHBondContact CB-SG 3.49Å
11	P	89.5	Confident	82.9	Confident	60 Å²	60	75.9 Å²	75.9	39%	0.39	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	3.1	-176.7	29.5	-38	0	0	0	114.8	L29	P11-L29 HydrophobicContact CG-CD2 3.76Å
12	I	90.9	Very high	85	Confident	61 Å²	61	70.8 Å²	70.8	31%	0.313	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-51.1	-176.6	-61.3	-57.5	0	0	0	111.2	C10 L29 C33 I37 P57	C10-I12 PolarHBondContact O-N 2.75Å; I12-L29 HydrophobicContact CG1-CD2 3.77Å; I12-C33 HydrophobicContact CB-CB 3.82Å; I12-C33 HydrophobicContact CG1-CB 4.25Å; I12-C33 HydrophobicContact CG2-CB 3.77Å; I12-I37 HydrophobicContact CD1-CD1 4.13Å; I12-I37 HydrophobicContact CG1-CD1 4.13Å; I12-P57 HydrophobicContact CD1-CB 3.6Å; I12-P57 HydrophobicContact CD1-CG 3.64Å; I12-P57 HydrophobicContact CG1-CB 4.48Å; I12-P57 HydrophobicContact CG1-CG 3.98Å
13	C	91.1	Very high	87	Confident	53 Å²	53	62.9 Å²	62.9	36%	0.358	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-10.2	177.4	58.9	0	0	0	0	113.2	C10 E15	C10-C13 VanDerWaalsContact CB-SG 3.53Å; C13-E15 PolarHBondContact O-N 3.46Å
14	L	89.3	Confident	88.5	Confident	131 Å²	131	61.6 Å²	61.6	69%	0.686	33%	0.329	S	S	*	.			trans	60.6	0.4	-176.9	-52.9	179	0	0	0	115.3	T9 C10	T9-L14 WeakPolarHBondContact CG2-O 3.22Å; C10-L14 VanDerWaalsContact O-CA 3.26Å; C10-L14 WeakPolarHBondContact O-CA 3.4Å; C10-L14 PolarHBondContact O-N 3.06Å
15	E	91.5	Very high	89.5	Confident	136 Å²	136	58.9 Å²	58.9	64%	0.636	32%	0.317	S	S	*	.	S	Bend	trans	-86.4	164.7	170.5	-60.8	-61.4	153.9	0	0	112.1	T9 C10 C13	T9-E15 CarbonylContact C-O 3.54Å; T9-E15 VanDerWaalsContact CA-O 3.3Å; T9-E15 WeakPolarHBondContact CA-O 3.09Å; C10-E15 PolarHBondContact N-O 3.38Å; C13-E15 PolarHBondContact O-N 3.46Å
16	L	91.2	Very high	90.1	Very high	38 Å²	38	58.4 Å²	58.4	20%	0.199	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-51.7	142	169.3	-68.4	174	0	0	0	110.9	E5 L8 T9 E18 I83 F86 Q87	E5-L16 HydrophobicContact CG-CD2 4.47Å; L8-L16 HydrophobicContact CB-CD2 3.76Å; L8-L16 WeakPolarHBondContact O-CA 3.31Å; T9-L16 HydrophobicContact CG2-CD2 4.46Å; L16-E18 PolarHBondContact O-N 2.99Å; L16-I83 HydrophobicContact CB-CG2 4.4Å; L16-F86 HydrophobicContact CD1-CD1 4.31Å; L16-F86 HydrophobicContact CD1-CE1 4.39Å; L16-F86 HydrophobicContact CD2-CD1 4.43Å; L16-F86 HydrophobicContact CD2-CE1 4.36Å; L16-Q87 HydrophobicContact CD1-CG 4.17Å
17	F	92.9	Very high	91	Very high	18 Å²	18	57.9 Å²	57.9	8%	0.079	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-59.2	131.8	-177.1	-68.3	-88.9	0	0	0	113	L8 T9 C10 P20 S28 L79 I83	L8-F17 WeakPolarHBondContact O-CD2 3.41Å; L8-F17 PolarHBondContact O-N 3.35Å; L8-F17 VanDerWaalsContact O-N 3.12Å; T9-F17 WeakPolarHBondContact O-CE2 3.3Å; T9-F17 WeakPolarHBondContact O-CZ 3.35Å; C10-F17 VanDerWaalsContact CA-CE1 3.49Å; C10-F17 HydrophobicContact CB-CD1 3.62Å; C10-F17 HydrophobicContact CB-CE1 3.61Å; C10-F17 HydrophobicContact CB-CG 4.22Å; C10-F17 HydrophobicContact CB-CZ 4.23Å; F17-P20 HydrophobicContact CB-CB 3.93Å; F17-P20 HydrophobicContact CB-CG 4.31Å; F17-P20 HydrophobicContact CD1-CB 4.18Å; F17-P20 HydrophobicContact CG-CB 4.22Å; F17-S28 VanDerWaalsContact CE1-C 3.5Å; F17-S28 VanDerWaalsContact CE1-O 3.24Å; F17-S28 WeakPolarHBondContact CE1-O 3.34Å; F17-L79 HydrophobicContact CD1-CD2 4.46Å; F17-L79 HydrophobicContact CD2-CD1 4.39Å; F17-L79 HydrophobicContact CD2-CD2 3.62Å; F17-L79 HydrophobicContact CD2-CG 4.19Å; F17-L79 HydrophobicContact CE2-CD2 3.85Å; F17-L79 HydrophobicContact CG-CD2 3.97Å; F17-L79 HydrophobicContact CZ-CD2 4.36Å; F17-I83 HydrophobicContact CB-CD1 3.5Å; F17-I83 HydrophobicContact CD2-CD1 4.19Å; F17-I83 HydrophobicContact CG-CD1 4.34Å; F17-I83 WeakPolarHBondContact O-CD1 3.42Å
18	E	90	Very high	91.5	Very high	137 Å²	137	51.6 Å²	51.6	64%	0.64	29%	0.29	S	S	*	.	S	Bend	trans	-117	117.2	174.2	-169	-179.1	-170	0	0	109.3	L16 C30	L16-E18 PolarHBondContact O-N 2.99Å; E18-C30 PolarHBondContact N-SG 3.09Å; E18-C30 WeakPolarHBondContact O-CA 3.48Å; E18-C30 VanDerWaalsContact O-CB 3.23Å; E18-C30 WeakPolarHBondContact O-CB 3.4Å
19	D	91.3	Very high	91.7	Very high	51 Å²	51	51.1 Å²	51.1	27%	0.273	29%	0.287	S	S	.	.	S	Bend	trans	48.9	64.8	-170.1	-162.7	22	0	0	0	112.4	L21 F31 R75	D19-L21 PolarHBondContact O-N 3.21Å; D19-F31 HydrophobicContact CB-CB 4.11Å; D19-F31 PolarHBondContact O-N 3.01Å; D19-R75 VanDerWaalsContact OD1-CD 3.24Å; D19-R75 WeakPolarHBondContact OD1-CD 3.42Å; D19-R75 IonicContact OD1-CZ 3.18Å; D19-R75 IonicContact OD1-NE 2.76Å; D19-R75 PolarHBondContact OD1-NE 2.98Å; D19-R75 IonicContact OD1-NH2 2.67Å; D19-R75 IonicContact OD2-CZ 3.62Å; D19-R75 IonicContact OD2-NE 3.45Å; D19-R75 PolarHBondContact OD2-NE 3.4Å; D19-R75 IonicContact OD2-NH2 3.72Å; D19-R75 PolarHBondContact OD2-NH2 3.26Å
20	P	94.4	Very high	91.9	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.013	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	122	-175.4	25.5	-31.9	0	0	0	111.3	F17 L29 R75 N76 L79 Q80	F17-P20 HydrophobicContact CB-CB 3.93Å; F17-P20 HydrophobicContact CB-CG 4.31Å; F17-P20 HydrophobicContact CD1-CB 4.18Å; F17-P20 HydrophobicContact CG-CB 4.22Å; P20-L29 CarbonylContact C-O 3.43Å; P20-L29 WeakPolarHBondContact CA-O 3.44Å; P20-R75 CarbonylContact O-C 3.54Å; P20-R75 WeakPolarHBondContact O-CA 3.47Å; P20-N76 HydrophobicContact CB-CB 4.15Å; P20-N76 HydrophobicContact CG-CB 4.25Å; P20-N76 PolarHBondContact O-N 3.48Å; P20-L79 HydrophobicContact CB-CD2 3.88Å; P20-L79 HydrophobicContact CB-CG 4.42Å; P20-L79 HydrophobicContact CG-CB 4.27Å; P20-L79 HydrophobicContact CG-CD2 4.33Å; P20-L79 HydrophobicContact CG-CG 4.33Å; P20-Q80 HydrophobicContact CG-CB 4.19Å
21	L	93.5	Very high	91.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.6	168.7	-67.3	178.1	0	0	0	110.2	D19 S28 L29 F31 A34 L73 R75	D19-L21 PolarHBondContact O-N 3.21Å; L21-S28 WeakPolarHBondContact O-CA 3.14Å; L21-L29 PolarHBondContact N-O 3.44Å; L21-L29 PolarHBondContact O-N 2.86Å; L21-L29 VanDerWaalsContact O-N 3.14Å; L21-F31 HydrophobicContact CD1-CB 4.31Å; L21-F31 HydrophobicContact CD1-CD2 3.79Å; L21-F31 HydrophobicContact CD1-CG 4.4Å; L21-F31 HydrophobicContact CD2-CD2 4.1Å; L21-F31 HydrophobicContact CG-CB 4.32Å; L21-F31 HydrophobicContact CG-CD2 4.16Å; L21-A34 HydrophobicContact CD1-CB 4.06Å; L21-L73 HydrophobicContact CD1-CD1 4.3Å; L21-L73 HydrophobicContact CD2-CB 4.26Å; L21-R75 HydrophobicContact CD2-CG 4.25Å
22	L	93.8	Very high	91.9	Very high	65 Å²	65	53.2 Å²	53.2	34%	0.34	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	114.7	170.9	-175.1	64.3	0	0	0	109.8	K74 N76	L22-K74 WeakPolarHBondContact CB-O 3.31Å; L22-K74 PolarHBondContact N-O 3.49Å; L22-N76 HydrophobicContact CB-CB 4.14Å
23	L	91.6	Very high	91.9	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	28%	0.28	C	S	.	.			trans	-79.8	155.9	177.1	-54	-177.7	0	0	0	111.1	C25 A26 H27 L29 F54 C56 I63 L73	L23-C25 PolarHBondContact O-N 2.8Å; L23-C25 VanDerWaalsContact O-N 3.09Å; L23-A26 WeakPolarHBondContact O-CA 3.5Å; L23-A26 PolarHBondContact O-N 3.34Å; L23-H27 WeakPolarHBondContact CB-O 3.46Å; L23-H27 WeakPolarHBondContact CG-O 3.45Å; L23-H27 PolarHBondContact N-O 3.49Å; L23-L29 HydrophobicContact CD1-CD1 3.97Å; L23-L29 HydrophobicContact CD1-CG 4.2Å; L23-F54 HydrophobicContact CD1-CE2 4.5Å; L23-F54 HydrophobicContact CD2-CE2 4.41Å; L23-F54 HydrophobicContact CD2-CZ 3.76Å; L23-C56 HydrophobicContact CD1-CB 3.99Å; L23-I63 HydrophobicContact CB-CD1 4.14Å; L23-I63 HydrophobicContact CD1-CD1 4.49Å; L23-I63 HydrophobicContact CD1-CG1 4.3Å; L23-I63 HydrophobicContact CD2-CG1 4.4Å; L23-L73 HydrophobicContact CD2-CD1 3.88Å
24	P	88.6	Confident	91.8	Very high	85 Å²	85	48.2 Å²	48.2	55%	0.552	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-27	172.9	-28.8	33	0	0	0	115.1	A26 Y61 I63	P24-A26 PolarHBondContact O-N 3.49Å; P24-Y61 HydrophobicContact CB-CE1 4.15Å; P24-I63 HydrophobicContact CG-CD1 4.44Å; P24-I63 HydrophobicContact CG-CG2 4.24Å
25	C	91.4	Very high	91.7	Very high	30 Å²	30	46.3 Å²	46.3	20%	0.203	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	12	174.7	64.4	0	0	0	0	114.2	L23 H27 C56 Y61	L23-C25 PolarHBondContact O-N 2.8Å; L23-C25 VanDerWaalsContact O-N 3.09Å; C25-H27 PolarHBondContact O-N 3.12Å; C25-H27 VanDerWaalsContact O-N 3.17Å; C25-C56 VanDerWaalsContact SG-SG 3.63Å; C25-Y61 HydrophobicContact CB-CD1 3.7Å; C25-Y61 HydrophobicContact CB-CG 3.89Å
26	A	90.4	Very high	91.4	Very high	79 Å²	79	48.5 Å²	48.5	65%	0.653	25%	0.252	S	S	*	.	S	Bend	trans	64.5	7.3	-178.4	0	0	0	0	0	116.8	L23 P24	L23-A26 WeakPolarHBondContact O-CA 3.5Å; L23-A26 PolarHBondContact O-N 3.34Å; P24-A26 PolarHBondContact O-N 3.49Å
27	H	93.1	Very high	91.1	Very high	65 Å²	65	47.9 Å²	47.9	30%	0.301	25%	0.249	S	C	.	.			trans	-84.9	157.5	169.1	-66.8	115.7	0	0	0	111.3	L23 C25 C59	L23-H27 WeakPolarHBondContact CB-O 3.46Å; L23-H27 WeakPolarHBondContact CG-O 3.45Å; L23-H27 PolarHBondContact N-O 3.49Å; C25-H27 PolarHBondContact O-N 3.12Å; C25-H27 VanDerWaalsContact O-N 3.17Å; H27-C59 PolarHBondContact ND1-SG 3.39Å
28	S	93.9	Very high	90.5	Very high	16 Å²	16	48.2 Å²	48.2	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.4	178	-58.1	0	0	0	0	112	F17 L21 N76	F17-S28 VanDerWaalsContact CE1-C 3.5Å; F17-S28 VanDerWaalsContact CE1-O 3.24Å; F17-S28 WeakPolarHBondContact CE1-O 3.34Å; L21-S28 WeakPolarHBondContact O-CA 3.14Å; S28-N76 PolarHBondContact OG-ND2 3.26Å
29	L	93.9	Very high	89.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148.3	172.6	-73.2	179.1	0	0	0	109.9	P11 I12 P20 L21 L23 A34 I37 F54 P57	P11-L29 HydrophobicContact CG-CD2 3.76Å; I12-L29 HydrophobicContact CG1-CD2 3.77Å; P20-L29 CarbonylContact C-O 3.43Å; P20-L29 WeakPolarHBondContact CA-O 3.44Å; L21-L29 PolarHBondContact N-O 3.44Å; L21-L29 PolarHBondContact O-N 2.86Å; L21-L29 VanDerWaalsContact O-N 3.14Å; L23-L29 HydrophobicContact CD1-CD1 3.97Å; L23-L29 HydrophobicContact CD1-CG 4.2Å; L29-A34 HydrophobicContact CB-CB 4.5Å; L29-A34 HydrophobicContact CD1-CB 4.41Å; L29-I37 HydrophobicContact CD1-CD1 4.09Å; L29-F54 HydrophobicContact CD1-CE2 4.12Å; L29-P57 HydrophobicContact CD1-CG 3.95Å; L29-P57 HydrophobicContact CD2-CG 3.69Å; L29-P57 HydrophobicContact CG-CG 4.33Å
30	C	95.6	Very high	88.6	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.034	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	143.1	167.4	-54.8	0	0	0	0	110	C10 E18 N32 C33 A34	C10-C30 WeakPolarHBondContact CB-SG 3.49Å; E18-C30 PolarHBondContact N-SG 3.09Å; E18-C30 WeakPolarHBondContact O-CA 3.48Å; E18-C30 VanDerWaalsContact O-CB 3.23Å; E18-C30 WeakPolarHBondContact O-CB 3.4Å; C30-N32 VanDerWaalsContact C-N 3.26Å; C30-N32 PolarHBondContact O-N 3.31Å; C30-C33 HydrophobicContact CB-CB 4.02Å; C30-C33 WeakPolarHBondContact O-CB 3.43Å; C30-C33 PolarHBondContact O-N 2.97Å; C30-A34 PolarHBondContact O-N 3.27Å
31	F	92.4	Very high	86.8	Confident	44 Å²	44	52.7 Å²	52.7	19%	0.193	29%	0.285	C	S	.	.	H	α-helix	trans	-50.7	-47.1	176.5	-178	-87.5	0	0	0	112.2	D19 L21 C33 A34 H35 L70	D19-F31 HydrophobicContact CB-CB 4.11Å; D19-F31 PolarHBondContact O-N 3.01Å; L21-F31 HydrophobicContact CD1-CB 4.31Å; L21-F31 HydrophobicContact CD1-CD2 3.79Å; L21-F31 HydrophobicContact CD1-CG 4.4Å; L21-F31 HydrophobicContact CD2-CD2 4.1Å; L21-F31 HydrophobicContact CG-CB 4.32Å; L21-F31 HydrophobicContact CG-CD2 4.16Å; F31-C33 VanDerWaalsContact C-N 3.33Å; F31-C33 PolarHBondContact O-N 3.45Å; F31-A34 PolarHBondContact O-N 3.03Å; F31-H35 WeakPolarHBondContact O-CB 3.1Å; F31-H35 PolarHBondContact O-N 3.19Å; F31-L70 HydrophobicContact CE2-CB 4.13Å
32	N	88.4	Confident	84.7	Confident	96 Å²	96	56.4 Å²	56.4	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-33.9	179.1	-69.8	-32.9	0	0	0	112.9	C30 H35 R36	C30-N32 VanDerWaalsContact C-N 3.26Å; C30-N32 PolarHBondContact O-N 3.31Å; N32-H35 PolarHBondContact O-N 3.06Å; N32-R36 WeakPolarHBondContact O-CG 3.36Å; N32-R36 PolarHBondContact O-N 2.88Å
33	C	92.3	Very high	82.2	Confident	9 Å²	9	58.4 Å²	58.4	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-68.5	-44.5	176.3	-68.9	0	0	0	0	111	I12 C30 F31 H35 R36 I37	I12-C33 HydrophobicContact CB-CB 3.82Å; I12-C33 HydrophobicContact CG1-CB 4.25Å; I12-C33 HydrophobicContact CG2-CB 3.77Å; C30-C33 HydrophobicContact CB-CB 4.02Å; C30-C33 WeakPolarHBondContact O-CB 3.43Å; C30-C33 PolarHBondContact O-N 2.97Å; F31-C33 VanDerWaalsContact C-N 3.33Å; F31-C33 PolarHBondContact O-N 3.45Å; C33-H35 VanDerWaalsContact C-N 3.3Å; C33-H35 PolarHBondContact O-N 2.74Å; C33-R36 PolarHBondContact O-N 3.44Å; C33-I37 WeakPolarHBondContact O-CG1 3.26Å; C33-I37 PolarHBondContact O-N 3.32Å; C33-I37 VanDerWaalsContact O-N 3.1Å
34	A	88.2	Confident	79.8	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-38.3	174	0	0	0	0	0	111.8	L21 L29 C30 F31 I37 L38 F54 L70	L21-A34 HydrophobicContact CD1-CB 4.06Å; L29-A34 HydrophobicContact CB-CB 4.5Å; L29-A34 HydrophobicContact CD1-CB 4.41Å; C30-A34 PolarHBondContact O-N 3.27Å; F31-A34 PolarHBondContact O-N 3.03Å; A34-I37 PolarHBondContact O-N 3.14Å; A34-L38 PolarHBondContact O-N 3.4Å; A34-F54 HydrophobicContact CB-CZ 4.29Å; A34-L70 HydrophobicContact CB-CD1 4.1Å; A34-L70 HydrophobicContact CB-CD2 3.87Å
35	H	87.1	Confident	77.6	Confident	91 Å²	91	66.1 Å²	66.1	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-63.8	-44.5	175.4	-174.8	-87.7	0	0	0	112.6	F31 N32 C33 I37 L38 V39 L70	F31-H35 WeakPolarHBondContact O-CB 3.1Å; F31-H35 PolarHBondContact O-N 3.19Å; N32-H35 PolarHBondContact O-N 3.06Å; C33-H35 VanDerWaalsContact C-N 3.3Å; C33-H35 PolarHBondContact O-N 2.74Å; H35-I37 VanDerWaalsContact C-N 3.35Å; H35-I37 PolarHBondContact O-N 3.12Å; H35-L38 PolarHBondContact O-N 2.85Å; H35-V39 WeakPolarHBondContact O-CG2 3.32Å; H35-V39 PolarHBondContact O-N 2.89Å; H35-L70 HydrophobicContact CB-CD1 3.79Å; H35-L70 VanDerWaalsContact N-CD1 3.33Å
36	R	86	Confident	74.8	Confident	181 Å²	181	73.9 Å²	73.9	68%	0.683	41%	0.411	S	S	*	.	H	α-helix	trans	-62.3	-41.2	176.4	-74.1	-176.3	79.9	-145	4.1	112.2	N32 C33 L38 V39 S40	N32-R36 WeakPolarHBondContact O-CG 3.36Å; N32-R36 PolarHBondContact O-N 2.88Å; C33-R36 PolarHBondContact O-N 3.44Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.39Å; R36-V39 PolarHBondContact O-N 3.41Å; R36-S40 WeakPolarHBondContact O-CB 3.46Å; R36-S40 PolarHBondContact O-N 3.27Å; R36-S40 PolarHBondContact O-OG 2.94Å; R36-S40 VanDerWaalsContact O-OG 3.06Å
37	I	84.7	Confident	72.3	Confident	26 Å²	26	76.2 Å²	76.2	13%	0.133	42%	0.419	C	S	.	.	H	α-helix	trans	-59.9	-46.5	175.6	-66.7	165.9	0	0	0	110.2	I12 L29 C33 A34 H35 V39 S40 H41 F54 P57	I12-I37 HydrophobicContact CD1-CD1 4.13Å; I12-I37 HydrophobicContact CG1-CD1 4.13Å; L29-I37 HydrophobicContact CD1-CD1 4.09Å; C33-I37 WeakPolarHBondContact O-CG1 3.26Å; C33-I37 PolarHBondContact O-N 3.32Å; C33-I37 VanDerWaalsContact O-N 3.1Å; A34-I37 PolarHBondContact O-N 3.14Å; H35-I37 VanDerWaalsContact C-N 3.35Å; H35-I37 PolarHBondContact O-N 3.12Å; I37-V39 PolarHBondContact O-N 2.95Å; I37-S40 WeakPolarHBondContact CA-OG 3.45Å; I37-S40 PolarHBondContact O-N 2.93Å; I37-S40 PolarHBondContact O-OG 2.97Å; I37-H41 PolarHBondContact O-CD2 2.87Å; I37-H41 PolarHBondContact O-N 3.49Å; I37-F54 HydrophobicContact CG2-CB 4Å; I37-F54 HydrophobicContact CG2-CD2 3.93Å; I37-F54 HydrophobicContact CG2-CG 4.3Å; I37-P57 HydrophobicContact CD1-CG 4.27Å
38	L	80.9	Confident	69.8	Low	24 Å²	24	81.2 Å²	81.2	13%	0.126	45%	0.447	C	S	.	.	H	α-helix	trans	-61.6	-42.6	179.7	-167.6	68.9	0	0	0	112	A34 H35 R36 I51 F54 L65 L70	A34-L38 PolarHBondContact O-N 3.4Å; H35-L38 PolarHBondContact O-N 2.85Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-L38 PolarHBondContact O-N 3.39Å; L38-I51 HydrophobicContact CD1-CB 4.01Å; L38-I51 HydrophobicContact CD1-CG2 3.56Å; L38-I51 HydrophobicContact CG-CB 4.48Å; L38-I51 HydrophobicContact CG-CG2 4.42Å; L38-I51 WeakPolarHBondContact O-CD1 3.27Å; L38-F54 HydrophobicContact CD1-CB 4.39Å; L38-F54 HydrophobicContact CD1-CD1 4.47Å; L38-L65 HydrophobicContact CD1-CD1 3.8Å; L38-L65 HydrophobicContact CD2-CD1 3.9Å; L38-L70 HydrophobicContact CD2-CD1 4.2Å; L38-L70 HydrophobicContact CD2-CG 4.16Å
39	V	72.8	Confident	67.3	Low	80 Å²	80	89.2 Å²	89.2	49%	0.485	48%	0.483	S	S	.	.	H	α-helix	trans	-74.9	-33.7	-179.9	176.5	0	0	0	0	112.5	H35 R36 I37 H41 C42	H35-V39 WeakPolarHBondContact O-CG2 3.32Å; H35-V39 PolarHBondContact O-N 2.89Å; R36-V39 PolarHBondContact O-N 3.41Å; I37-V39 PolarHBondContact O-N 2.95Å; V39-H41 PolarHBondContact O-N 3.49Å; V39-C42 WeakPolarHBondContact O-CB 3.49Å; V39-C42 PolarHBondContact O-N 3.46Å
40	S	66.6	Low	65.2	Low	80 Å²	80	94.5 Å²	94.5	56%	0.559	52%	0.52	S	S	*	.	H	α-helix	trans	-67.4	-19.4	179.4	57.3	0	0	0	0	114.3	R36 I37 C42	R36-S40 WeakPolarHBondContact O-CB 3.46Å; R36-S40 PolarHBondContact O-N 3.27Å; R36-S40 PolarHBondContact O-OG 2.94Å; R36-S40 VanDerWaalsContact O-OG 3.06Å; I37-S40 WeakPolarHBondContact CA-OG 3.45Å; I37-S40 PolarHBondContact O-N 2.93Å; I37-S40 PolarHBondContact O-OG 2.97Å; S40-C42 PolarHBondContact O-N 2.88Å
41	H	58.1	Low	63.3	Low	124 Å²	124	97.2 Å²	97.2	57%	0.574	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.1	172.2	-77.3	-66.9	0	0	0	113.4	I37 V39 S43	I37-H41 PolarHBondContact O-CD2 2.87Å; I37-H41 PolarHBondContact O-N 3.49Å; V39-H41 PolarHBondContact O-N 3.49Å; H41-S43 PolarHBondContact O-N 2.89Å
42	C	49.5	Very low	62.1	Low	80 Å²	80	98.5 Å²	98.5	54%	0.541	55%	0.548	S	S	.	.			trans	-95.3	78.1	171.6	-94.2	0	0	0	0	112.1	V39 S40 I51	V39-C42 WeakPolarHBondContact O-CB 3.49Å; V39-C42 PolarHBondContact O-N 3.46Å; S40-C42 PolarHBondContact O-N 2.88Å; C42-I51 HydrophobicContact CB-CD1 4.39Å; C42-I51 WeakPolarHBondContact SG-CD1 3.28Å
43	S	41.7	Very low	61.8	Low	108 Å²	108	95.5 Å²	95.5	76%	0.755	54%	0.537	S	S	*	.			trans	-124.1	48.7	166.9	-63.6	0	0	0	0	110.8	H41	H41-S43 PolarHBondContact O-N 2.89Å
44	T	40.1	Very low	61.5	Low	129 Å²	129	95.3 Å²	95.3	79%	0.791	54%	0.535	S	S	*	.	S	Bend	trans	-145.5	134.7	159.9	47.7	0	0	0	0	109.3	K46	T44-K46 PolarHBondContact O-N 3.44Å
45	S	42	Very low	61.5	Low	122 Å²	122	99.9 Å²	99.9	85%	0.853	56%	0.556	S	S	*	*			trans	-70.6	91.4	-174	51.6	0	0	0	0	112.7
46	K	33.1	Very low	61.6	Low	193 Å²	193	95.6 Å²	95.6	84%	0.839	54%	0.536	S	S	*	.			trans	-149.7	155.9	159.7	-74	-167.4	-178.8	172.2	0	110.9	T44	T44-K46 PolarHBondContact O-N 3.44Å
47	P	38.1	Very low	61.7	Low	127 Å²	127	89.1 Å²	89.1	83%	0.825	52%	0.517	S	S	*	.			trans	-67.4	152.6	-177.3	-11.2	26.8	0	0	0	112.1	E49	P47-E49 PolarHBondContact O-N 3.32Å; P47-E49 VanDerWaalsContact O-N 3.07Å
48	L	41.2	Very low	61.8	Low	171 Å²	171	91.2 Å²	91.2	90%	0.895	53%	0.532	S	S	*	.			trans	-47.2	95.9	-174.2	-139.3	84.4	0	0	0	114.5
49	E	40	Very low	62.1	Low	184 Å²	184	92.8 Å²	92.8	86%	0.86	54%	0.544	S	S	*	.			trans	-99.4	127.1	148.2	-80.2	-174.4	172.4	0	0	108.1	P47 I51	P47-E49 PolarHBondContact O-N 3.32Å; P47-E49 VanDerWaalsContact O-N 3.07Å; E49-I51 PolarHBondContact O-N 3.47Å; E49-I51 VanDerWaalsContact O-N 3.1Å
50	S	50.9	Low	62.8	Low	111 Å²	111	97.7 Å²	97.7	78%	0.776	55%	0.554	S	S	*	*			trans	-51	109.7	-171.9	-46.2	0	0	0	0	112.2	S52	S50-S52 PolarHBondContact O-N 2.9Å
51	I	55.7	Low	63.7	Low	61 Å²	61	100.1 Å²	100.1	31%	0.313	55%	0.552	S	S	.	*			trans	-58.1	113.8	173.7	-56.9	166.3	0	0	0	108.4	L38 C42 E49	L38-I51 HydrophobicContact CD1-CB 4.01Å; L38-I51 HydrophobicContact CD1-CG2 3.56Å; L38-I51 HydrophobicContact CG-CB 4.48Å; L38-I51 HydrophobicContact CG-CG2 4.42Å; L38-I51 WeakPolarHBondContact O-CD1 3.27Å; C42-I51 HydrophobicContact CB-CD1 4.39Å; C42-I51 WeakPolarHBondContact SG-CD1 3.28Å; E49-I51 PolarHBondContact O-N 3.47Å; E49-I51 VanDerWaalsContact O-N 3.1Å
52	S	67.4	Low	65	Low	71 Å²	71	97.7 Å²	97.7	50%	0.497	55%	0.546	S	S	.	.			trans	-100.3	9.3	-173.2	67.7	0	0	0	0	113.3	S50 T64 L65	S50-S52 PolarHBondContact O-N 2.9Å; S52-T64 CarbonylContact O-C 3.53Å; S52-T64 VanDerWaalsContact O-CA 3.29Å; S52-T64 WeakPolarHBondContact O-CA 3.35Å; S52-T64 WeakPolarHBondContact O-CG2 3.16Å; S52-L65 PolarHBondContact O-N 3.14Å
53	A	80.8	Confident	66.8	Low	34 Å²	34	93.9 Å²	93.9	28%	0.281	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	153.1	175.6	0	0	0	0	0	115.1	V62 I63	A53-V62 HydrophobicContact CB-CG1 4.05Å; A53-I63 CarbonylContact C-O 3.54Å; A53-I63 WeakPolarHBondContact CA-O 3.4Å; A53-I63 WeakPolarHBondContact CB-O 3.22Å
54	F	86.3	Confident	68.9	Low	5 Å²	5	93.7 Å²	93.7	2%	0.022	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.5	167.2	72.8	-84.6	0	0	0	111.3	L23 L29 A34 I37 L38 I63 L65 L70 L73	L23-F54 HydrophobicContact CD1-CE2 4.5Å; L23-F54 HydrophobicContact CD2-CE2 4.41Å; L23-F54 HydrophobicContact CD2-CZ 3.76Å; L29-F54 HydrophobicContact CD1-CE2 4.12Å; A34-F54 HydrophobicContact CB-CZ 4.29Å; I37-F54 HydrophobicContact CG2-CB 4Å; I37-F54 HydrophobicContact CG2-CD2 3.93Å; I37-F54 HydrophobicContact CG2-CG 4.3Å; L38-F54 HydrophobicContact CD1-CB 4.39Å; L38-F54 HydrophobicContact CD1-CD1 4.47Å; F54-I63 HydrophobicContact CD1-CB 4.07Å; F54-I63 HydrophobicContact CD1-CG2 4.42Å; F54-I63 HydrophobicContact CD2-CG1 4.48Å; F54-I63 HydrophobicContact CE1-CB 3.82Å; F54-I63 HydrophobicContact CE1-CG1 4.26Å; F54-I63 HydrophobicContact CE1-CG2 3.81Å; F54-I63 HydrophobicContact CE2-CB 4.43Å; F54-I63 HydrophobicContact CE2-CG1 4.04Å; F54-I63 HydrophobicContact CG-CB 4.49Å; F54-I63 HydrophobicContact CZ-CB 4.03Å; F54-I63 HydrophobicContact CZ-CG1 3.92Å; F54-I63 HydrophobicContact CZ-CG2 4.14Å; F54-I63 PolarHBondContact N-O 3.39Å; F54-I63 WeakPolarHBondContact O-CA 3.3Å; F54-I63 WeakPolarHBondContact O-CB 3.39Å; F54-I63 PolarHBondContact O-N 3.07Å; F54-L65 HydrophobicContact CD1-CD1 4.02Å; F54-L65 HydrophobicContact CD1-CG 4.3Å; F54-L65 HydrophobicContact CE1-CD1 4.22Å; F54-L65 HydrophobicContact CE1-CD2 4.1Å; F54-L65 HydrophobicContact CE1-CG 4.36Å; F54-L70 HydrophobicContact CD1-CD2 4.36Å; F54-L70 HydrophobicContact CE1-CD2 3.63Å; F54-L70 HydrophobicContact CZ-CD2 4.23Å; F54-L73 HydrophobicContact CE1-CD1 4.31Å; F54-L73 HydrophobicContact CZ-CD1 4.43Å
55	Q	89.3	Confident	70.9	Confident	96 Å²	96	88 Å²	88	45%	0.449	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	136.3	177.8	-71.1	-178.6	-2.9	0	0	112	V62	Q55-V62 HydrophobicContact CG-CG2 4.12Å
56	C	89.3	Confident	72.5	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	46%	0.46	C	S	.	.			trans	-62.5	125.4	171.3	177.5	0	0	0	0	110	L23 C25 T58 R60 Y61 I63	L23-C56 HydrophobicContact CD1-CB 3.99Å; C25-C56 VanDerWaalsContact SG-SG 3.63Å; C56-T58 PolarHBondContact O-N 3.17Å; C56-T58 PolarHBondContact SG-N 2.94Å; C56-R60 WeakPolarHBondContact O-CA 3.34Å; C56-R60 PolarHBondContact O-N 3.4Å; C56-Y61 PolarHBondContact N-O 2.98Å; C56-I63 HydrophobicContact CB-CD1 4.39Å
57	P	86.9	Confident	74.5	Confident	45 Å²	45	85 Å²	85	29%	0.292	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.3	-179.4	27.5	-34.4	0	0	0	112.7	I12 L29 I37	I12-P57 HydrophobicContact CD1-CB 3.6Å; I12-P57 HydrophobicContact CD1-CG 3.64Å; I12-P57 HydrophobicContact CG1-CB 4.48Å; I12-P57 HydrophobicContact CG1-CG 3.98Å; L29-P57 HydrophobicContact CD1-CG 3.95Å; L29-P57 HydrophobicContact CD2-CG 3.69Å; L29-P57 HydrophobicContact CG-CG 4.33Å; I37-P57 HydrophobicContact CD1-CG 4.27Å
58	T	87.2	Confident	76.2	Confident	71 Å²	71	86.8 Å²	86.8	44%	0.436	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-42.9	-179.2	-45.4	0	0	0	0	112.8	C56	C56-T58 PolarHBondContact O-N 3.17Å; C56-T58 PolarHBondContact SG-N 2.94Å
59	C	87.3	Confident	78.2	Confident	57 Å²	57	79.7 Å²	79.7	39%	0.385	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	5.6	-173.8	67.8	0	0	0	0	115.3	H27 Y61	H27-C59 PolarHBondContact ND1-SG 3.39Å; C59-Y61 PolarHBondContact O-N 2.86Å; C59-Y61 VanDerWaalsContact SG-CB 3.59Å
60	R	87.6	Confident	80.4	Confident	182 Å²	182	71.4 Å²	71.4	69%	0.687	38%	0.377	S	S	*	.			trans	59.5	6.9	-178.7	-55.6	-62.7	-174.7	110.7	0.5	115.7	C56 V62	C56-R60 WeakPolarHBondContact O-CA 3.34Å; C56-R60 PolarHBondContact O-N 3.4Å; R60-V62 PolarHBondContact O-N 3.32Å
61	Y	85.6	Confident	81.9	Confident	132 Å²	132	73.7 Å²	73.7	52%	0.518	38%	0.375	S	S	.	.			trans	-61.1	133.3	174.5	-173.6	-102.1	0	0	0	111	P24 C25 C56 C59 I63	P24-Y61 HydrophobicContact CB-CE1 4.15Å; C25-Y61 HydrophobicContact CB-CD1 3.7Å; C25-Y61 HydrophobicContact CB-CG 3.89Å; C56-Y61 PolarHBondContact N-O 2.98Å; C59-Y61 PolarHBondContact O-N 2.86Å; C59-Y61 VanDerWaalsContact SG-CB 3.59Å; Y61-I63 HydrophobicContact CD1-CD1 3.58Å; Y61-I63 HydrophobicContact CE1-CD1 4.22Å; Y61-I63 PolarHBondContact O-N 2.98Å
62	V	86.3	Confident	83.1	Confident	73 Å²	73	72.5 Å²	72.5	44%	0.442	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	114.2	-178	-179.4	0	0	0	0	109.7	A53 Q55 R60	A53-V62 HydrophobicContact CB-CG1 4.05Å; Q55-V62 HydrophobicContact CG-CG2 4.12Å; R60-V62 PolarHBondContact O-N 3.32Å
63	I	87.3	Confident	84.1	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.5	177.1	-49.3	-42.8	0	0	0	108.2	L23 P24 A53 F54 C56 Y61 L65 L73	L23-I63 HydrophobicContact CB-CD1 4.14Å; L23-I63 HydrophobicContact CD1-CD1 4.49Å; L23-I63 HydrophobicContact CD1-CG1 4.3Å; L23-I63 HydrophobicContact CD2-CG1 4.4Å; P24-I63 HydrophobicContact CG-CD1 4.44Å; P24-I63 HydrophobicContact CG-CG2 4.24Å; A53-I63 CarbonylContact C-O 3.54Å; A53-I63 WeakPolarHBondContact CA-O 3.4Å; A53-I63 WeakPolarHBondContact CB-O 3.22Å; F54-I63 HydrophobicContact CD1-CB 4.07Å; F54-I63 HydrophobicContact CD1-CG2 4.42Å; F54-I63 HydrophobicContact CD2-CG1 4.48Å; F54-I63 HydrophobicContact CE1-CB 3.82Å; F54-I63 HydrophobicContact CE1-CG1 4.26Å; F54-I63 HydrophobicContact CE1-CG2 3.81Å; F54-I63 HydrophobicContact CE2-CB 4.43Å; F54-I63 HydrophobicContact CE2-CG1 4.04Å; F54-I63 HydrophobicContact CG-CB 4.49Å; F54-I63 HydrophobicContact CZ-CB 4.03Å; F54-I63 HydrophobicContact CZ-CG1 3.92Å; F54-I63 HydrophobicContact CZ-CG2 4.14Å; F54-I63 PolarHBondContact N-O 3.39Å; F54-I63 WeakPolarHBondContact O-CA 3.3Å; F54-I63 WeakPolarHBondContact O-CB 3.39Å; F54-I63 PolarHBondContact O-N 3.07Å; C56-I63 HydrophobicContact CB-CD1 4.39Å; Y61-I63 HydrophobicContact CD1-CD1 3.58Å; Y61-I63 HydrophobicContact CE1-CD1 4.22Å; Y61-I63 PolarHBondContact O-N 2.98Å; I63-L65 HydrophobicContact CG2-CD2 4.17Å; I63-L73 HydrophobicContact CG2-CD1 4.44Å; I63-L73 HydrophobicContact CG2-CD2 4.19Å
64	T	84.3	Confident	84.5	Confident	103 Å²	103	76.6 Å²	76.6	63%	0.632	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	124.8	173.7	-50.8	0	0	0	0	109.8	S52	S52-T64 CarbonylContact O-C 3.53Å; S52-T64 VanDerWaalsContact O-CA 3.29Å; S52-T64 WeakPolarHBondContact O-CA 3.35Å; S52-T64 WeakPolarHBondContact O-CG2 3.16Å
65	L	82.6	Confident	84.7	Confident	10 Å²	10	83.3 Å²	83.3	5%	0.052	41%	0.407	C	S	.	.			trans	-96.6	139.7	178.4	-59.8	179.3	0	0	0	110.3	L38 S52 F54 I63 L70 L73	L38-L65 HydrophobicContact CD1-CD1 3.8Å; L38-L65 HydrophobicContact CD2-CD1 3.9Å; S52-L65 PolarHBondContact O-N 3.14Å; F54-L65 HydrophobicContact CD1-CD1 4.02Å; F54-L65 HydrophobicContact CD1-CG 4.3Å; F54-L65 HydrophobicContact CE1-CD1 4.22Å; F54-L65 HydrophobicContact CE1-CD2 4.1Å; F54-L65 HydrophobicContact CE1-CG 4.36Å; I63-L65 HydrophobicContact CG2-CD2 4.17Å; L65-L70 HydrophobicContact CD1-CD2 3.86Å; L65-L70 HydrophobicContact CD1-CG 4.13Å; L65-L70 HydrophobicContact CD2-CD2 4.15Å; L65-L73 HydrophobicContact CD2-CD1 3.88Å; L65-L73 HydrophobicContact CD2-CD2 4.24Å; L65-L73 HydrophobicContact CD2-CG 3.98Å
66	N	75.8	Confident	84.9	Confident	86 Å²	86	80.2 Å²	80.2	46%	0.46	39%	0.393	S	S	.	.			trans	-84.7	-172.5	175.6	62.8	17.6	0	0	0	110.9	R68 G69	N66-R68 PolarHBondContact O-N 3.47Å; N66-R68 WeakPolarHBondContact OD1-CA 3.36Å; N66-R68 WeakPolarHBondContact OD1-CB 3.49Å; N66-R68 PolarHBondContact OD1-N 3.01Å; N66-G69 PolarHBondContact O-N 3Å
67	H	74.8	Confident	84.9	Confident	165 Å²	165	84.4 Å²	84.4	76%	0.764	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-13.9	176.5	63.9	-88.3	0	0	0	114.8
68	R	74.9	Confident	85	Confident	165 Å²	165	87 Å²	87	62%	0.623	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	3.9	175.8	-53.5	-170.7	177.6	-159	-2.8	113.1	N66 E71	N66-R68 PolarHBondContact O-N 3.47Å; N66-R68 WeakPolarHBondContact OD1-CA 3.36Å; N66-R68 WeakPolarHBondContact OD1-CB 3.49Å; N66-R68 PolarHBondContact OD1-N 3.01Å; R68-E71 WeakPolarHBondContact O-CB 3.42Å; R68-E71 PolarHBondContact O-N 3.13Å
69	G	83.2	Confident	85.2	Confident	23 Å²	23	84.6 Å²	84.6	24%	0.237	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	55.9	-139	179.2	0	0	0	0	0	112.5	N66 E71 G72	N66-G69 PolarHBondContact O-N 3Å; G69-E71 PolarHBondContact O-N 2.88Å; G69-G72 PolarHBondContact O-N 3.41Å; G69-G72 VanDerWaalsContact O-N 3.14Å
70	L	84.3	Confident	85.4	Confident	9 Å²	9	84.3 Å²	84.3	5%	0.047	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-66	-22.7	178.3	-67.7	172.3	0	0	0	113.6	F31 A34 H35 L38 F54 L65 G72 L73	F31-L70 HydrophobicContact CE2-CB 4.13Å; A34-L70 HydrophobicContact CB-CD1 4.1Å; A34-L70 HydrophobicContact CB-CD2 3.87Å; H35-L70 HydrophobicContact CB-CD1 3.79Å; H35-L70 VanDerWaalsContact N-CD1 3.33Å; L38-L70 HydrophobicContact CD2-CD1 4.2Å; L38-L70 HydrophobicContact CD2-CG 4.16Å; F54-L70 HydrophobicContact CD1-CD2 4.36Å; F54-L70 HydrophobicContact CE1-CD2 3.63Å; F54-L70 HydrophobicContact CZ-CD2 4.23Å; L65-L70 HydrophobicContact CD1-CD2 3.86Å; L65-L70 HydrophobicContact CD1-CG 4.13Å; L65-L70 HydrophobicContact CD2-CD2 4.15Å; L70-G72 PolarHBondContact O-N 3.37Å; L70-L73 HydrophobicContact CD2-CD1 3.91Å; L70-L73 PolarHBondContact O-N 3.5Å; L70-L73 VanDerWaalsContact O-N 3.15Å
71	E	83.3	Confident	85.4	Confident	159 Å²	159	79.3 Å²	79.3	74%	0.743	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-68.7	-16.3	175.1	-57.3	-172.5	163.9	0	0	112.5	R68 G69 L73	R68-E71 WeakPolarHBondContact O-CB 3.42Å; R68-E71 PolarHBondContact O-N 3.13Å; G69-E71 PolarHBondContact O-N 2.88Å; E71-L73 VanDerWaalsContact C-N 3.28Å
72	G	81.2	Confident	85.6	Confident	36 Å²	36	76.7 Å²	76.7	37%	0.371	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-75	-13	172.8	0	0	0	0	0	114.4	G69 L70	G69-G72 PolarHBondContact O-N 3.41Å; G69-G72 VanDerWaalsContact O-N 3.14Å; L70-G72 PolarHBondContact O-N 3.37Å
73	L	87.9	Confident	85.8	Confident	26 Å²	26	73.3 Å²	73.3	14%	0.136	37%	0.372	C	S	.	.	S	Bend	trans	-85.4	143.9	179.4	-64	176	0	0	0	111.4	L21 L23 F54 I63 L65 L70 E71	L21-L73 HydrophobicContact CD1-CD1 4.3Å; L21-L73 HydrophobicContact CD2-CB 4.26Å; L23-L73 HydrophobicContact CD2-CD1 3.88Å; F54-L73 HydrophobicContact CE1-CD1 4.31Å; F54-L73 HydrophobicContact CZ-CD1 4.43Å; I63-L73 HydrophobicContact CG2-CD1 4.44Å; I63-L73 HydrophobicContact CG2-CD2 4.19Å; L65-L73 HydrophobicContact CD2-CD1 3.88Å; L65-L73 HydrophobicContact CD2-CD2 4.24Å; L65-L73 HydrophobicContact CD2-CG 3.98Å; L70-L73 HydrophobicContact CD2-CD1 3.91Å; L70-L73 PolarHBondContact O-N 3.5Å; L70-L73 VanDerWaalsContact O-N 3.15Å; E71-L73 VanDerWaalsContact C-N 3.28Å
74	K	89.4	Confident	85.8	Confident	165 Å²	165	75.9 Å²	75.9	72%	0.717	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	138.3	179.8	-69	-174.8	179.6	178.8	0	110.3	L22	L22-K74 WeakPolarHBondContact CB-O 3.31Å; L22-K74 PolarHBondContact N-O 3.49Å
75	R	91.4	Very high	85.9	Confident	147 Å²	147	80 Å²	80	56%	0.555	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.3	169.1	-71	177.2	165.1	95.5	5.9	111	D19 P20 L21 V77	D19-R75 VanDerWaalsContact OD1-CD 3.24Å; D19-R75 WeakPolarHBondContact OD1-CD 3.42Å; D19-R75 IonicContact OD1-CZ 3.18Å; D19-R75 IonicContact OD1-NE 2.76Å; D19-R75 PolarHBondContact OD1-NE 2.98Å; D19-R75 IonicContact OD1-NH2 2.67Å; D19-R75 IonicContact OD2-CZ 3.62Å; D19-R75 IonicContact OD2-NE 3.45Å; D19-R75 PolarHBondContact OD2-NE 3.4Å; D19-R75 IonicContact OD2-NH2 3.72Å; D19-R75 PolarHBondContact OD2-NH2 3.26Å; P20-R75 CarbonylContact O-C 3.54Å; P20-R75 WeakPolarHBondContact O-CA 3.47Å; L21-R75 HydrophobicContact CD2-CG 4.25Å; R75-V77 VanDerWaalsContact C-N 3.33Å; R75-V77 HydrophobicContact CB-CG2 4.44Å; R75-V77 PolarHBondContact O-N 3.36Å; R75-V77 VanDerWaalsContact O-N 3.1Å
76	N	91.8	Very high	86.1	Confident	30 Å²	30	80.6 Å²	80.6	16%	0.16	39%	0.392	C	S	.	.			trans	-84	75.3	175.1	-166.1	-18.7	0	0	0	110.4	P20 L22 S28 T78 L79 Q80	P20-N76 HydrophobicContact CB-CB 4.15Å; P20-N76 HydrophobicContact CG-CB 4.25Å; P20-N76 PolarHBondContact O-N 3.48Å; L22-N76 HydrophobicContact CB-CB 4.14Å; S28-N76 PolarHBondContact OG-ND2 3.26Å; N76-T78 PolarHBondContact O-N 2.94Å; N76-L79 HydrophobicContact CB-CB 4.08Å; N76-L79 VanDerWaalsContact CG-CB 3.46Å; N76-L79 PolarHBondContact O-N 3.46Å; N76-L79 WeakPolarHBondContact OD1-CB 3.48Å; N76-L79 PolarHBondContact OD1-N 2.98Å; N76-L79 VanDerWaalsContact OD1-N 3.1Å; N76-Q80 PolarHBondContact O-N 3.29Å; N76-Q80 VanDerWaalsContact O-N 3.09Å
77	V	90.8	Very high	86.5	Confident	88 Å²	88	80.6 Å²	80.6	53%	0.533	39%	0.389	S	S	.	.	H	α-helix	trans	-60.8	-30.8	-178.4	-177.8	0	0	0	0	112	R75 Q80 N81	R75-V77 VanDerWaalsContact C-N 3.33Å; R75-V77 HydrophobicContact CB-CG2 4.44Å; R75-V77 PolarHBondContact O-N 3.36Å; R75-V77 VanDerWaalsContact O-N 3.1Å; V77-Q80 PolarHBondContact O-N 2.96Å; V77-N81 WeakPolarHBondContact O-CB 3.46Å; V77-N81 PolarHBondContact O-N 3.45Å; V77-N81 PolarHBondContact O-ND2 3.08Å; V77-N81 VanDerWaalsContact O-ND2 3.17Å
78	T	89.3	Confident	86.7	Confident	99 Å²	99	79.9 Å²	79.9	61%	0.607	38%	0.384	S	S	*	.	H	α-helix	trans	-63.3	-47.1	176.1	-53.6	0	0	0	0	111.3	N76 N81 I82	N76-T78 PolarHBondContact O-N 2.94Å; T78-N81 PolarHBondContact O-N 3.03Å; T78-I82 HydrophobicContact CG2-CD1 4.2Å; T78-I82 VanDerWaalsContact O-CG1 3.3Å; T78-I82 WeakPolarHBondContact O-CG1 3.35Å; T78-I82 PolarHBondContact O-N 3.27Å; T78-I82 VanDerWaalsContact O-N 3.08Å
79	L	91.1	Very high	86.7	Confident	21 Å²	21	74.9 Å²	74.9	11%	0.11	38%	0.378	C	S	.	.	H	α-helix	trans	-64.3	-42.3	177.2	-177	57.4	0	0	0	111.4	L8 F17 P20 N76 N81 I82 I83	L8-L79 HydrophobicContact CD2-CD1 3.68Å; F17-L79 HydrophobicContact CD1-CD2 4.46Å; F17-L79 HydrophobicContact CD2-CD1 4.39Å; F17-L79 HydrophobicContact CD2-CD2 3.62Å; F17-L79 HydrophobicContact CD2-CG 4.19Å; F17-L79 HydrophobicContact CE2-CD2 3.85Å; F17-L79 HydrophobicContact CG-CD2 3.97Å; F17-L79 HydrophobicContact CZ-CD2 4.36Å; P20-L79 HydrophobicContact CB-CD2 3.88Å; P20-L79 HydrophobicContact CB-CG 4.42Å; P20-L79 HydrophobicContact CG-CB 4.27Å; P20-L79 HydrophobicContact CG-CD2 4.33Å; P20-L79 HydrophobicContact CG-CG 4.33Å; N76-L79 HydrophobicContact CB-CB 4.08Å; N76-L79 VanDerWaalsContact CG-CB 3.46Å; N76-L79 PolarHBondContact O-N 3.46Å; N76-L79 WeakPolarHBondContact OD1-CB 3.48Å; N76-L79 PolarHBondContact OD1-N 2.98Å; N76-L79 VanDerWaalsContact OD1-N 3.1Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.2Å; L79-I82 PolarHBondContact O-N 2.99Å; L79-I82 VanDerWaalsContact O-N 3.16Å; L79-I83 HydrophobicContact CD1-CD1 4.26Å; L79-I83 HydrophobicContact CG-CD1 4.06Å; L79-I83 WeakPolarHBondContact O-CG1 3.42Å; L79-I83 PolarHBondContact O-N 3.49Å
80	Q	90.3	Very high	86.1	Confident	51 Å²	51	77 Å²	77	24%	0.238	39%	0.389	C	S	.	.	H	α-helix	trans	-58.3	-45	174.2	-170.6	64.1	62.5	0	0	111.8	P20 N76 V77 I82 I83 D84	P20-Q80 HydrophobicContact CG-CB 4.19Å; N76-Q80 PolarHBondContact O-N 3.29Å; N76-Q80 VanDerWaalsContact O-N 3.09Å; V77-Q80 PolarHBondContact O-N 2.96Å; Q80-I82 VanDerWaalsContact C-N 3.3Å; Q80-I82 PolarHBondContact O-N 3.38Å; Q80-I83 PolarHBondContact O-N 3.33Å; Q80-D84 PolarHBondContact NE2-OD1 3.27Å; Q80-D84 PolarHBondContact O-N 3.43Å
81	N	88.8	Confident	85	Confident	78 Å²	78	82.7 Å²	82.7	42%	0.417	42%	0.419	S	S	.	.	H	α-helix	trans	-64.1	-32.6	177.4	-73	-31.6	0	0	0	113.3	V77 T78 L79 R85	V77-N81 WeakPolarHBondContact O-CB 3.46Å; V77-N81 PolarHBondContact O-N 3.45Å; V77-N81 PolarHBondContact O-ND2 3.08Å; V77-N81 VanDerWaalsContact O-ND2 3.17Å; T78-N81 PolarHBondContact O-N 3.03Å; L79-N81 VanDerWaalsContact C-N 3.34Å; L79-N81 PolarHBondContact O-N 3.2Å; N81-R85 VanDerWaalsContact O-CG 3.27Å; N81-R85 WeakPolarHBondContact O-CG 3.33Å; N81-R85 PolarHBondContact O-N 2.94Å
82	I	89.6	Confident	83.6	Confident	77 Å²	77	79.6 Å²	79.6	40%	0.395	42%	0.415	S	S	.	.	H	α-helix	trans	-69.8	-44.5	176.1	-67.2	164	0	0	0	109.6	L8 T78 L79 Q80 R85 F86	L8-I82 HydrophobicContact CD1-CG2 4.08Å; L8-I82 HydrophobicContact CD2-CB 4.49Å; L8-I82 HydrophobicContact CD2-CG2 3.68Å; T78-I82 HydrophobicContact CG2-CD1 4.2Å; T78-I82 VanDerWaalsContact O-CG1 3.3Å; T78-I82 WeakPolarHBondContact O-CG1 3.35Å; T78-I82 PolarHBondContact O-N 3.27Å; T78-I82 VanDerWaalsContact O-N 3.08Å; L79-I82 PolarHBondContact O-N 2.99Å; L79-I82 VanDerWaalsContact O-N 3.16Å; Q80-I82 VanDerWaalsContact C-N 3.3Å; Q80-I82 PolarHBondContact O-N 3.38Å; I82-R85 PolarHBondContact O-N 3.47Å; I82-F86 WeakPolarHBondContact O-CB 3.47Å; I82-F86 PolarHBondContact O-N 3.38Å
83	I	90.1	Very high	82.1	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	42%	0.415	C	S	.	.	H	α-helix	trans	-62	-44.7	176.9	-67.8	166.3	0	0	0	110.7	L8 L16 F17 L79 Q80 R85 F86 Q87	L8-I83 HydrophobicContact CB-CG1 4.3Å; L8-I83 HydrophobicContact CD2-CG1 4.25Å; L16-I83 HydrophobicContact CB-CG2 4.4Å; F17-I83 HydrophobicContact CB-CD1 3.5Å; F17-I83 HydrophobicContact CD2-CD1 4.19Å; F17-I83 HydrophobicContact CG-CD1 4.34Å; F17-I83 WeakPolarHBondContact O-CD1 3.42Å; L79-I83 HydrophobicContact CD1-CD1 4.26Å; L79-I83 HydrophobicContact CG-CD1 4.06Å; L79-I83 WeakPolarHBondContact O-CG1 3.42Å; L79-I83 PolarHBondContact O-N 3.49Å; Q80-I83 PolarHBondContact O-N 3.33Å; I83-R85 VanDerWaalsContact C-N 3.28Å; I83-R85 PolarHBondContact O-N 2.99Å; I83-F86 WeakPolarHBondContact O-CB 3.35Å; I83-F86 PolarHBondContact O-N 3.47Å; I83-Q87 HydrophobicContact CG2-CG 4.37Å; I83-Q87 WeakPolarHBondContact O-CB 3.43Å; I83-Q87 WeakPolarHBondContact O-CG 3.36Å; I83-Q87 PolarHBondContact O-N 3.32Å
84	D	86.9	Confident	79.8	Confident	55 Å²	55	85.1 Å²	85.1	29%	0.294	45%	0.452	S	S	.	.	H	α-helix	trans	-61.5	-37.1	177.6	-68.2	-0.5	0	0	0	112.1	Q80 K88	Q80-D84 PolarHBondContact NE2-OD1 3.27Å; Q80-D84 PolarHBondContact O-N 3.43Å; D84-K88 WeakPolarHBondContact O-CB 3.13Å; D84-K88 VanDerWaalsContact O-CG 3.22Å; D84-K88 WeakPolarHBondContact O-CG 3.48Å; D84-K88 PolarHBondContact O-N 3.01Å; D84-K88 VanDerWaalsContact O-N 3.07Å
85	R	86.6	Confident	77.5	Confident	188 Å²	188	84.8 Å²	84.8	71%	0.709	46%	0.458	S	S	*	.	H	α-helix	trans	-72	-40.1	175.6	-73.9	174.2	-174.3	-174.5	2.4	111.9	N81 I82 I83 K88 A89	N81-R85 VanDerWaalsContact O-CG 3.27Å; N81-R85 WeakPolarHBondContact O-CG 3.33Å; N81-R85 PolarHBondContact O-N 2.94Å; I82-R85 PolarHBondContact O-N 3.47Å; I83-R85 VanDerWaalsContact C-N 3.28Å; I83-R85 PolarHBondContact O-N 2.99Å; R85-K88 PolarHBondContact O-N 3.28Å; R85-A89 WeakPolarHBondContact O-CB 3.47Å; R85-A89 PolarHBondContact O-N 3.26Å
86	F	86.7	Confident	74.7	Confident	23 Å²	23	81.7 Å²	81.7	10%	0.101	46%	0.459	C	S	.	.	H	α-helix	trans	-60.9	-49.1	175.5	179.6	-102	0	0	0	110.6	M1 L4 E5 L8 L16 I82 I83 K88 A89 S90	M1-F86 HydrophobicContact CG-CE2 4.27Å; L4-F86 HydrophobicContact CD2-CD2 4.15Å; L4-F86 HydrophobicContact CD2-CE2 4.37Å; E5-F86 HydrophobicContact CB-CZ 4Å; E5-F86 HydrophobicContact CG-CE1 4.3Å; E5-F86 HydrophobicContact CG-CZ 4.19Å; L8-F86 HydrophobicContact CD1-CB 4.02Å; L8-F86 HydrophobicContact CD1-CD1 4.32Å; L8-F86 HydrophobicContact CD1-CD2 4.22Å; L8-F86 HydrophobicContact CD1-CG 3.93Å; L16-F86 HydrophobicContact CD1-CD1 4.31Å; L16-F86 HydrophobicContact CD1-CE1 4.39Å; L16-F86 HydrophobicContact CD2-CD1 4.43Å; L16-F86 HydrophobicContact CD2-CE1 4.36Å; I82-F86 WeakPolarHBondContact O-CB 3.47Å; I82-F86 PolarHBondContact O-N 3.38Å; I83-F86 WeakPolarHBondContact O-CB 3.35Å; I83-F86 PolarHBondContact O-N 3.47Å; F86-K88 PolarHBondContact O-N 2.97Å; F86-A89 PolarHBondContact O-N 3.31Å; F86-S90 PolarHBondContact O-N 2.92Å; F86-S90 PolarHBondContact O-OG 3.45Å; F86-S90 VanDerWaalsContact O-OG 3.06Å
87	Q	83.6	Confident	71.9	Confident	86 Å²	86	85.6 Å²	85.6	40%	0.402	49%	0.486	S	S	.	.	H	α-helix	trans	-61.4	-42.1	176.6	-71.4	176.5	-15.7	0	0	112.5	L16 I83 S90 L91	L16-Q87 HydrophobicContact CD1-CG 4.17Å; I83-Q87 HydrophobicContact CG2-CG 4.37Å; I83-Q87 WeakPolarHBondContact O-CB 3.43Å; I83-Q87 WeakPolarHBondContact O-CG 3.36Å; I83-Q87 PolarHBondContact O-N 3.32Å; Q87-S90 PolarHBondContact O-N 3.49Å; Q87-L91 WeakPolarHBondContact O-CG 3.43Å; Q87-L91 PolarHBondContact O-N 3.2Å; Q87-L91 VanDerWaalsContact O-N 3.12Å
88	K	79.8	Confident	69.1	Low	150 Å²	150	88.3 Å²	88.3	65%	0.652	50%	0.503	S	S	*	.	H	α-helix	trans	-64.2	-38.4	175.1	-77.5	172.5	-176.2	173.8	0	112.9	D84 R85 F86 L91 S92	D84-K88 WeakPolarHBondContact O-CB 3.13Å; D84-K88 VanDerWaalsContact O-CG 3.22Å; D84-K88 WeakPolarHBondContact O-CG 3.48Å; D84-K88 PolarHBondContact O-N 3.01Å; D84-K88 VanDerWaalsContact O-N 3.07Å; R85-K88 PolarHBondContact O-N 3.28Å; F86-K88 PolarHBondContact O-N 2.97Å; K88-L91 PolarHBondContact O-N 3.25Å; K88-S92 PolarHBondContact O-N 2.95Å; K88-S92 PolarHBondContact O-OG 2.94Å
89	A	74.9	Confident	66.3	Low	61 Å²	61	92.5 Å²	92.5	50%	0.504	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-43.2	176.4	0	0	0	0	0	111.2	R85 F86 L91 S92	R85-A89 WeakPolarHBondContact O-CB 3.47Å; R85-A89 PolarHBondContact O-N 3.26Å; F86-A89 PolarHBondContact O-N 3.31Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 3.05Å; A89-S92 PolarHBondContact O-N 3.23Å; A89-S92 VanDerWaalsContact O-N 3.13Å; A89-S92 PolarHBondContact O-OG 3.28Å
90	S	70	Confident	63.2	Low	68 Å²	68	97.3 Å²	97.3	48%	0.476	55%	0.551	S	S	.	*	H	α-helix	trans	-63.4	-28.7	177.2	-59	0	0	0	0	113.5	F86 Q87	F86-S90 PolarHBondContact O-N 2.92Å; F86-S90 PolarHBondContact O-OG 3.45Å; F86-S90 VanDerWaalsContact O-OG 3.06Å; Q87-S90 PolarHBondContact O-N 3.49Å
91	L	62.5	Low	60.2	Low	128 Å²	128	106.4 Å²	106.4	67%	0.67	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	-10.7	176.2	-70.6	165.9	0	0	0	114.3	Q87 K88 A89	Q87-L91 WeakPolarHBondContact O-CG 3.43Å; Q87-L91 PolarHBondContact O-N 3.2Å; Q87-L91 VanDerWaalsContact O-N 3.12Å; K88-L91 PolarHBondContact O-N 3.25Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 3.05Å
92	S	54.1	Low	57.3	Low	94 Å²	94	114.6 Å²	114.6	66%	0.657	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	11.3	-173.9	63.2	0	0	0	0	115.3	K88 A89	K88-S92 PolarHBondContact O-N 2.95Å; K88-S92 PolarHBondContact O-OG 2.94Å; A89-S92 PolarHBondContact O-N 3.23Å; A89-S92 VanDerWaalsContact O-N 3.13Å; A89-S92 PolarHBondContact O-OG 3.28Å
93	G	48.4	Very low	54.2	Low	36 Å²	36	118.3 Å²	118.3	37%	0.371	63%	0.628	S	S	.	*	S	Bend	trans	-72.8	163.1	174.2	0	0	0	0	0	113.7	N95	G93-N95 PolarHBondContact O-N 3.19Å
94	P	39.2	Very low	51.2	Low	141 Å²	141	126 Å²	126	92%	0.916	66%	0.664	S	S	*	*	S	Bend	trans	-64.5	-0.8	-172.4	-18.5	30.9	0	0	0	116.2
95	N	42.4	Very low	48.2	Very low	158 Å²	158	130.3 Å²	130.3	85%	0.845	69%	0.692	S	S	*	*			trans	-125.5	87.4	176.2	-76.6	-23.1	0	0	0	108.8	G93	G93-N95 PolarHBondContact O-N 3.19Å
96	S	31.5	Very low	45.3	Very low	82 Å²	82	128.9 Å²	128.9	57%	0.573	69%	0.694	S	S	*	*			trans	-108.9	122.2	169.2	-159.4	0	0	0	0	109.4
97	P	33.6	Very low	42.4	Very low	112 Å²	112	137.6 Å²	137.6	73%	0.727	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-74.6	140.4	162.7	3.4	13.3	0	0	0	109.5	E99	P97-E99 PolarHBondContact O-N 3.33Å
98	T	30.9	Very low	39.6	Very low	146 Å²	146	139.6 Å²	139.6	90%	0.896	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-57.3	124.8	177.5	-18.9	0	0	0	0	111.1
99	E	30.4	Very low	37	Very low	187 Å²	187	141.7 Å²	141.7	87%	0.874	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.1	130.2	171	-92	-173.9	134.2	0	0	111.5	P97	P97-E99 PolarHBondContact O-N 3.33Å
100	S	27.2	Very low	34.7	Very low	122 Å²	122	145.4 Å²	145.4	85%	0.853	77%	0.768	S	S	*	*			trans	-160.2	118.1	139.3	-81.5	0	0	0	0	111.9
101	R	27.4	Very low	32.6	Very low	241 Å²	241	146.9 Å²	146.9	91%	0.909	79%	0.785	S	S	*	*			trans	91.3	78.7	156.9	-107.9	175.9	-155.3	-163.8	5.5	119
102	R	28	Very low	30.9	Very low	250 Å²	250	147.4 Å²	147.4	94%	0.943	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-95.7	128.1	134	-94.1	-174.7	-178.4	-175.7	1.8	109.1
103	L	24.5	Very low	29.6	Very low	155 Å²	155	150.5 Å²	150.5	81%	0.812	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60.9	133.5	170	-81.9	98.2	0	0	0	110.2	T105	L103-T105 PolarHBondContact O-N 3.25Å
104	Q	25.7	Very low	28.6	Very low	164 Å²	164	154.5 Å²	154.5	77%	0.766	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-54.5	119.3	157.1	-85.6	169.3	-23.5	0	0	109.8
105	T	24.1	Very low	28	Very low	144 Å²	144	151.3 Å²	151.3	88%	0.883	82%	0.816	S	S	*	*			trans	-94.3	100.7	151.3	26.1	0	0	0	0	106.9	L103	L103-T105 PolarHBondContact O-N 3.25Å
106	Q	27.2	Very low	27.3	Very low	159 Å²	159	150 Å²	150	74%	0.743	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.2	143.2	169.2	-71.2	-175.3	-1.8	0	0	109.9
107	R	25.2	Very low	27.2	Very low	205 Å²	205	153.7 Å²	153.7	77%	0.774	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-50.8	149.4	172.3	-63.4	172.3	172.5	179.1	-5.2	112.8
108	P	24.4	Very low	27	Very low	128 Å²	128	153.2 Å²	153.2	83%	0.831	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-98.5	118.2	147.9	25.2	-11	0	0	0	110.4
109	Y	24.8	Very low	26.8	Very low	195 Å²	195	149.1 Å²	149.1	77%	0.765	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76.7	142.6	156.1	-98.2	-88.5	0	0	0	109.1
110	T	26.6	Very low	26.7	Very low	138 Å²	138	146.4 Å²	146.4	85%	0.847	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-64.4	127.4	170.4	38.3	0	0	0	0	111.1
111	A	26.9	Very low	26.8	Very low	100 Å²	100	148.3 Å²	148.3	83%	0.826	81%	0.813	S	S	*	*			trans	-147.7	121.7	156.2	0	0	0	0	0	110.5
112	T	26.7	Very low	26.8	Very low	139 Å²	139	140.5 Å²	140.5	85%	0.853	81%	0.808	S	S	*	*			trans	-13.8	139.4	166.1	-44.8	0	0	0	0	119
113	I	26.9	Very low	26.8	Very low	159 Å²	159	132.4 Å²	132.4	82%	0.815	80%	0.802	S	S	*	*			trans	-44.7	125.4	166.2	-62.2	161.6	0	0	0	113
114	S	26.3	Very low	27	Very low	120 Å²	120	129.2 Å²	129.2	84%	0.839	81%	0.807	S	S	*	*			trans	-164.7	130.3	135.2	-86	0	0	0	0	109.4
115	G	28.2	Very low	27.1	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	81%	0.811	S	S	*	*			trans	-81	173.2	-165	0	0	0	0	0	116.1
116	T	27.5	Very low	27.3	Very low	132 Å²	132	122.8 Å²	122.8	81%	0.81	81%	0.813	S	S	*	*			trans	161.8	113.1	132.3	-64.2	0	0	0	0	110.6
117	I	28.4	Very low	27.3	Very low	158 Å²	158	119 Å²	119	81%	0.81	82%	0.817	S	S	*	*			trans	39.6	136.1	135.2	-49.9	175.5	0	0	0	122.3
118	A	29.4	Very low	27.5	Very low	102 Å²	102	113.6 Å²	113.6	84%	0.843	83%	0.825	S	S	*	*			trans	76.2	141.9	158	0	0	0	0	0	118.2
119	G	27.3	Very low	27.7	Very low	61 Å²	61	111.4 Å²	111.4	63%	0.629	83%	0.826	S	S	*	*			cis	168.4	153.7	0.8	0	0	0	0	0	110
120	T	28.8	Very low	27.8	Very low	130 Å²	130	105.6 Å²	105.6	80%	0.798	83%	0.825	S	S	*	*			trans	72.9	118.6	148.6	36.7	0	0	0	0	124.6
121	I	28.8	Very low	28	Very low	161 Å²	161	106.1 Å²	106.1	83%	0.826	83%	0.828	S	S	*	*				84.2	123.9	120.9	-61.2	165.5	0	0	0	123
122	G	28	Very low	28	Very low	78 Å²	78	105.5 Å²	105.5	80%	0.804	83%	0.831	S	S	*	*			trans	93.4	140.1	133.4	0	0	0	0	0	117.2
123	G	28.1	Very low	28.1	Very low	79 Å²	79	103 Å²	103	81%	0.814	83%	0.833	S	S	*	*			cis	159.4	148.4	3.9	0	0	0	0	0	110.1
124	G	27.7	Very low	28.2	Very low	89 Å²	89	99.1 Å²	99.1	92%	0.918	83%	0.833	S	S	*	*			trans	69.7	149	158	0	0	0	0	0	119
125	G	27.6	Very low	28.3	Very low	82 Å²	82	99.1 Å²	99.1	85%	0.845	83%	0.833	S	S	*	*			cis	160.5	151.9	2.5	0	0	0	0	0	111.2
126	G	28	Very low	28.3	Very low	91 Å²	91	100 Å²	100	94%	0.938	83%	0.832	S	S	*	*			trans	75.3	147.1	159.1	0	0	0	0	0	119
127	G	28.3	Very low	28.3	Very low	80 Å²	80	105.8 Å²	105.8	83%	0.825	84%	0.839	S	S	*	*			cis	157.6	146.3	1.3	0	0	0	0	0	111.6
128	G	28.1	Very low	28.2	Very low	90 Å²	90	102 Å²	102	93%	0.928	84%	0.839	S	S	*	*			trans	76.4	148.8	159.6	0	0	0	0	0	118.9
129	G	28.3	Very low	28.3	Very low	83 Å²	83	102.6 Å²	102.6	86%	0.856	84%	0.838	S	S	*	*			cis	155.6	141.7	0.7	0	0	0	0	0	112
130	G	28.5	Very low	29.2	Very low	72 Å²	72	105.6 Å²	105.6	74%	0.742	85%	0.846	S	S	*	*			trans	81.3	155.2	159	0	0	0	0	0	119.7
131	T	29.6	Very low	29.2	Very low	149 Å²	149	103 Å²	103	91%	0.914	84%	0.837	S	S	*	*			cis	177.7	148.8	-15.2	16.9	0	0	0	0	108.7
132	G	28.6	Very low	29	Very low	87 Å²	87	101.7 Å²	101.7	90%	0.897	84%	0.837	S	S	*	*			trans	81.6	144.6	154.3	0	0	0	0	0	117.7
133	G	28.1	Very low	28.9	Very low	86 Å²	86	102.8 Å²	102.8	89%	0.887	83%	0.833	S	S	*	*			cis	153.6	146.2	4.4	0	0	0	0	0	109.4
134	G	28.3	Very low	28.9	Very low	79 Å²	79	103.5 Å²	103.5	81%	0.814	83%	0.825	S	S	*	*			trans	126.7	92.8	154.9	0	0	0	0	0	121.2
135	S	28.4	Very low	28.8	Very low	120 Å²	120	108 Å²	108	84%	0.839	82%	0.822	S	S	*	*			trans	40	115.7	130.2	-65	0	0	0	0	125.7
136	A	28.8	Very low	28.8	Very low	90 Å²	90	109.6 Å²	109.6	74%	0.744	82%	0.82	S	S	*	*				88.4	139.1	102.1	0	0	0	0	0	124.5
137	R	27.4	Very low	28.7	Very low	254 Å²	254	113.7 Å²	113.7	96%	0.958	82%	0.815	S	S	*	*			trans	94.3	124	146.5	-71.4	-178	176.3	-155.8	-1.9	120.7
138	G	26.5	Very low	29.2	Very low	78 Å²	78	115.7 Å²	115.7	80%	0.804	81%	0.813	S	S	*	*				130.1	90.1	127.9	0	0	0	0	0	117.8
139	S	32.1	Very low	29.2	Very low	116 Å²	116	120.1 Å²	120.1	81%	0.811	81%	0.809	S	S	*	*			trans	-92.6	171.9	145.3	-45.1	0	0	0	0	107.4
140	P	45.8	Very low	29.2	Very low	123 Å²	123	120.2 Å²	120.2	80%	0.799	80%	0.802	S	S	*	*			cis	-156.1	-172.7	41.1	39.2	-14	0	0	0	118.4
141	A	27.4	Very low	29.1	Very low	75 Å²	75	123.4 Å²	123.4	62%	0.62	80%	0.802	S	S	*	*			trans	101.4	111.5	141	0	0	0	0	0	119
142	T	25.9	Very low	29.1	Very low	135 Å²	135	123.9 Å²	123.9	83%	0.828	79%	0.794	S	S	*	*				79.8	137.3	106.9	61	0	0	0	0	113.6
143	S	26	Very low	29.1	Very low	101 Å²	101	126 Å²	126	71%	0.706	79%	0.789	S	S	*	*			cis	-174.3	156.8	28.2	44.7	0	0	0	0	111.7
144	S	26.8	Very low	29.1	Very low	94 Å²	94	129.3 Å²	129.3	66%	0.657	79%	0.786	S	S	*	*			trans	65.6	120.7	134	64.8	0	0	0	0	124.4
145	H	26.6	Very low	29.1	Very low	183 Å²	183	134.9 Å²	134.9	85%	0.847	79%	0.791	S	S	*	*			trans	54.5	120.3	131.6	-67.7	-62.4	0	0	0	121.6
146	S	26.9	Very low	29.1	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	78%	0.781	S	S	*	*				147.9	129.9	102.5	54.1	0	0	0	0	113
147	H	27	Very low	29	Very low	177 Å²	177	135.3 Å²	135.3	82%	0.819	78%	0.782	S	S	*	*			trans	-78.1	149.4	159.5	-91.4	-57.9	0	0	0	109
148	P	38.4	Very low	29	Very low	122 Å²	122	131.6 Å²	131.6	79%	0.792	78%	0.775	S	S	*	*				-146.2	159.7	89.7	32.9	-13.1	0	0	0	116.3
149	H	27.5	Very low	29	Very low	183 Å²	183	133 Å²	133	85%	0.847	77%	0.768	S	S	*	*			trans	-63	139.5	165.6	-91.2	-80.8	0	0	0	112.5
150	A	29	Very low	28.8	Very low	85 Å²	85	134.3 Å²	134.3	70%	0.702	77%	0.766	S	S	*	*				166.4	122.3	109.2	0	0	0	0	0	113
151	N	26.6	Very low	28	Very low	139 Å²	139	133.1 Å²	133.1	74%	0.743	77%	0.767	S	S	*	*			trans	58.9	122.1	135.6	-78.4	1.4	0	0	0	124.2
152	H	28.3	Very low	28	Very low	159 Å²	159	136.1 Å²	136.1	74%	0.736	77%	0.772	S	S	*	*				103.1	123.1	127.8	-84.9	-55.4	0	0	0	120.4
153	T	28.5	Very low	28.2	Very low	130 Å²	130	139 Å²	139	80%	0.798	78%	0.776	S	S	*	*			trans	92.8	109.6	140.5	49.5	0	0	0	0	120.7
154	N	28.9	Very low	28.1	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	78%	0.778	S	S	*	*			trans	-30.1	139.4	157.4	-71.2	-25.6	0	0	0	116.7
155	H	27.3	Very low	28.7	Very low	196 Å²	196	140.8 Å²	140.8	91%	0.907	79%	0.785	S	S	*	*				-152.7	130.8	128.4	-109.6	-68.3	0	0	0	111.1
156	A	30	Very low	28.9	Very low	76 Å²	76	136.1 Å²	136.1	63%	0.628	78%	0.778	S	S	*	*			trans	-74.3	151.2	174.9	0	0	0	0	0	112.3
157	N	25.9	Very low	29.1	Very low	144 Å²	144	137.4 Å²	137.4	77%	0.77	78%	0.781	S	S	*	*				165	132.4	122.3	-87.9	-21.7	0	0	0	111.2
158	H	28.3	Very low	29.6	Very low	175 Å²	175	135.4 Å²	135.4	81%	0.81	78%	0.781	S	S	*	*				-169.2	101.3	127.3	-102.3	-62.6	0	0	0	111.3
159	T	26.8	Very low	29.3	Very low	108 Å²	108	133.6 Å²	133.6	66%	0.663	78%	0.776	S	S	*	*				29.8	123.7	121.9	63.7	0	0	0	0	119
160	N	27.5	Very low	30	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	78%	0.779	S	S	*	*				144.1	130.5	86.9	-147.9	3.1	0	0	0	111
161	A	28.4	Very low	30.3	Very low	98 Å²	98	138.5 Å²	138.5	81%	0.81	78%	0.784	S	S	*	*				172.8	126.3	123.8	0	0	0	0	0	112
162	N	27.9	Very low	31.2	Very low	137 Å²	137	138.2 Å²	138.2	73%	0.733	78%	0.782	S	S	*	*			trans	-63.3	148.7	179.3	-66.9	-44.5	0	0	0	115
163	H	30.3	Very low	32.5	Very low	197 Å²	197	134.7 Å²	134.7	91%	0.912	77%	0.773	S	S	*	*				-163.5	121.3	124.5	-100.5	-63.5	0	0	0	111.9
164	S	24	Very low	34.4	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	77%	0.766	S	S	*	*			trans	-82	173.3	164.6	-58.1	0	0	0	0	110.5
165	P	38.7	Very low	36.9	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	73%	0.733	S	S	*	*			cis	-135.7	159.5	9	36.5	-15.7	0	0	0	117.7
166	A	31.6	Very low	39.7	Very low	85 Å²	85	124.1 Å²	124.1	70%	0.702	71%	0.711	S	S	*	*			trans	3.4	126.8	155.1	0	0	0	0	0	121.4
167	V	31.2	Very low	42.3	Very low	144 Å²	144	120.7 Å²	120.7	87%	0.873	68%	0.682	S	S	*	*				-129.6	117.7	125	179.4	0	0	0	0	107.6	A169	V167-A169 PolarHBondContact O-N 3.01Å; V167-A169 VanDerWaalsContact O-N 3.14Å
168	V	36.1	Very low	44.9	Very low	134 Å²	134	118.4 Å²	118.4	81%	0.812	67%	0.666	S	S	*	*			trans	-71.2	102.3	176.1	177.1	0	0	0	0	108.6
169	A	33.5	Very low	47.4	Very low	84 Å²	84	115.3 Å²	115.3	69%	0.694	65%	0.651	S	S	*	*			trans	-102.1	120.8	152.5	0	0	0	0	0	106.8	V167 M171	V167-A169 PolarHBondContact O-N 3.01Å; V167-A169 VanDerWaalsContact O-N 3.14Å; A169-M171 PolarHBondContact O-N 3.38Å
170	K	41.2	Very low	50.1	Low	210 Å²	210	111.4 Å²	111.4	91%	0.913	63%	0.628	S	S	*	*			trans	-49.1	107.6	174.7	-76.1	175.7	172.2	178.2	0	109.7
171	M	35.3	Very low	52.4	Low	161 Å²	161	114.2 Å²	114.2	79%	0.793	64%	0.636	S	S	*	*			trans	-92.4	114.8	163.9	-91.9	-169.8	167.1	0	0	108.5	A169	A169-M171 PolarHBondContact O-N 3.38Å
172	D	45.3	Very low	54.5	Low	134 Å²	134	114.3 Å²	114.3	72%	0.717	62%	0.62	S	S	*	*			trans	-47.9	134.3	162	-166	5	0	0	0	111	R174	D172-R174 PolarHBondContact O-N 3.44Å
173	P	56.5	Low	56.3	Low	84 Å²	84	115.3 Å²	115.3	55%	0.545	63%	0.625	S	S	.	*			trans	-69.4	96.4	177	28.3	-34.2	0	0	0	110.1	I175 P224	P173-I175 WeakPolarHBondContact O-CG1 3.34Å; P173-I175 PolarHBondContact O-N 2.88Å; P173-I175 VanDerWaalsContact O-N 3.12Å; P173-P224 HydrophobicContact CG-CG 4.31Å
174	R	69.1	Low	58.4	Low	171 Å²	171	111 Å²	111	65%	0.645	62%	0.615	S	S	*	*			trans	-62.7	112.2	171.5	-70.2	-175.4	-76.8	178.9	-3.9	109.8	D172 E187	D172-R174 PolarHBondContact O-N 3.44Å; R174-E187 VanDerWaalsContact CG-OE1 3.32Å; R174-E187 WeakPolarHBondContact CG-OE1 3.34Å
175	I	81.3	Confident	61.1	Low	26 Å²	26	108.3 Å²	108.3	13%	0.133	60%	0.595	C	S	.	*	P	Polyproline II helix	trans	-88.9	127.7	-177.5	-67.7	148.2	0	0	0	109.1	P173 A188 P222 P224	P173-I175 WeakPolarHBondContact O-CG1 3.34Å; P173-I175 PolarHBondContact O-N 2.88Å; P173-I175 VanDerWaalsContact O-N 3.12Å; I175-A188 HydrophobicContact CG2-CB 4.05Å; I175-A188 VanDerWaalsContact O-CB 3.27Å; I175-A188 WeakPolarHBondContact O-CB 3.42Å; I175-A188 PolarHBondContact O-N 2.91Å; I175-P222 HydrophobicContact CB-CB 3.97Å; I175-P222 HydrophobicContact CD1-CB 3.6Å; I175-P222 WeakPolarHBondContact CD1-O 3.32Å; I175-P222 HydrophobicContact CG1-CB 4.43Å; I175-P222 HydrophobicContact CG2-CB 4.31Å; I175-P224 HydrophobicContact CD1-CG 4.06Å; I175-P224 HydrophobicContact CG1-CG 4.45Å
176	S	84.4	Confident	63.4	Low	64 Å²	64	107.6 Å²	107.6	45%	0.448	58%	0.576	S	S	.	*	B	Isolated β-bridge	trans	-91.4	151.3	-177.5	-60.7	0	0	0	0	112.4
177	C	86.1	Confident	66	Low	3 Å²	3	109 Å²	109	2%	0.02	57%	0.568	C	S	.	*	P	Polyproline II helix	trans	-70.8	132.2	174.8	179.3	0	0	0	0	111.6	F179 C180 P185 R186 S198 C200	C177-F179 PolarHBondContact SG-N 3Å; C177-F179 VanDerWaalsContact SG-N 3.43Å; C177-C180 VanDerWaalsContact SG-SG 3.62Å; C177-P185 VanDerWaalsContact O-CB 3.31Å; C177-P185 WeakPolarHBondContact O-CB 3.32Å; C177-R186 WeakPolarHBondContact CB-O 3.37Å; C177-R186 PolarHBondContact N-O 3.27Å; C177-S198 WeakPolarHBondContact CA-O 3.44Å; C177-C200 HydrophobicContact CB-CB 3.79Å; C177-C200 VanDerWaalsContact CB-N 3.34Å; C177-C200 PolarHBondContact SG-N 2.88Å
178	Q	80.4	Confident	68.7	Low	96 Å²	96	102.5 Å²	102.5	45%	0.449	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.5	-178.7	-67.5	155.1	-48	0	0	114	V197 S198	Q178-V197 HydrophobicContact CB-CG1 4.22Å; Q178-S198 PolarHBondContact N-O 3.46Å
179	F	80.6	Confident	71.1	Confident	111 Å²	111	99.1 Å²	99.1	49%	0.487	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	5.8	-177.9	-94.5	-97.6	0	0	0	113.6	C177 V197 Y199 C203 T207	C177-F179 PolarHBondContact SG-N 3Å; C177-F179 VanDerWaalsContact SG-N 3.43Å; F179-V197 HydrophobicContact CD2-CG1 3.58Å; F179-V197 HydrophobicContact CE2-CG1 3.7Å; F179-V197 HydrophobicContact CE2-CG2 4.23Å; F179-Y199 HydrophobicContact CB-CD1 4.29Å; F179-Y199 HydrophobicContact CB-CE1 4.37Å; F179-Y199 HydrophobicContact CD2-CD1 4.08Å; F179-Y199 AromaticContact CD2-CE1 3.44Å; F179-Y199 HydrophobicContact CD2-CE1 3.44Å; F179-Y199 VanDerWaalsContact CD2-CE1 3.44Å; F179-Y199 AromaticContact CE2-CE1 3.77Å; F179-Y199 HydrophobicContact CE2-CE1 3.77Å; F179-Y199 HydrophobicContact CG-CD1 4.32Å; F179-Y199 AromaticContact CG-CE1 3.9Å; F179-Y199 HydrophobicContact CG-CE1 3.9Å; F179-Y199 HydrophobicContact CZ-CE1 4.48Å; F179-C203 HydrophobicContact CB-CB 3.96Å; F179-C203 PolarHBondContact O-SG 3.32Å; F179-T207 HydrophobicContact CD1-CG2 4.19Å; F179-T207 HydrophobicContact CE1-CG2 4.28Å
180	C	83.8	Confident	73.5	Confident	26 Å²	26	98.9 Å²	98.9	18%	0.176	49%	0.492	C	S	.	.			trans	-85.6	132.3	176.5	-76.4	0	0	0	0	110.2	C177 Q182 P185 C200 C203	C177-C180 VanDerWaalsContact SG-SG 3.62Å; C180-Q182 VanDerWaalsContact C-N 3.26Å; C180-P185 HydrophobicContact CB-CB 4.14Å; C180-C200 PolarHBondContact SG-SG 3.08Å; C180-C203 VanDerWaalsContact SG-SG 3.62Å
181	E	74.1	Confident	75.4	Confident	203 Å²	203	88.9 Å²	88.9	95%	0.949	45%	0.449	S	S	*	.			trans	-84.9	1.3	173.1	-62.1	172.5	176.6	0	0	112.6
182	Q	72.5	Confident	77.5	Confident	99 Å²	99	81.2 Å²	81.2	46%	0.463	41%	0.411	S	S	.	.	S	Bend	trans	-92	141.6	180	-62.2	-176.1	-18.2	0	0	110.6	C180 P184 P185 R186	C180-Q182 VanDerWaalsContact C-N 3.26Å; Q182-P184 CarbonylContact O-C 3.52Å; Q182-P185 VanDerWaalsContact O-CA 3.29Å; Q182-P185 WeakPolarHBondContact O-CA 3.4Å; Q182-P185 VanDerWaalsContact O-N 3.1Å; Q182-R186 VanDerWaalsContact OE1-NH2 3.08Å
183	D	67.4	Low	78.8	Confident	158 Å²	158	77.4 Å²	77.4	85%	0.845	39%	0.392	S	S	*	.	S	Bend	trans	-113	118.1	175.1	-170.4	17.2	0	0	0	110.7
184	P	73.2	Confident	79.4	Confident	107 Å²	107	77.1 Å²	77.1	70%	0.695	39%	0.389	S	S	*	.	S	Bend	cis	-75	150.6	-1.1	30.3	-33.5	0	0	0	112.8	Q182	Q182-P184 CarbonylContact O-C 3.52Å
185	P	80.9	Confident	79.7	Confident	51 Å²	51	71.1 Å²	71.1	33%	0.331	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-58.9	146.7	176.9	-22.5	31.8	0	0	0	111.9	C177 C180 Q182	C177-P185 VanDerWaalsContact O-CB 3.31Å; C177-P185 WeakPolarHBondContact O-CB 3.32Å; C180-P185 HydrophobicContact CB-CB 4.14Å; Q182-P185 VanDerWaalsContact O-CA 3.29Å; Q182-P185 WeakPolarHBondContact O-CA 3.4Å; Q182-P185 VanDerWaalsContact O-N 3.1Å
186	R	86.7	Confident	79.5	Confident	109 Å²	109	75.2 Å²	75.2	41%	0.411	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.6	150.6	177.9	-63.6	-178.9	-174.6	-156.7	-2.4	110.9	C177 Q182 A188 C200	C177-R186 WeakPolarHBondContact CB-O 3.37Å; C177-R186 PolarHBondContact N-O 3.27Å; Q182-R186 VanDerWaalsContact OE1-NH2 3.08Å; R186-A188 PolarHBondContact O-N 3.49Å; R186-C200 HydrophobicContact CB-CB 3.74Å
187	E	86.9	Confident	79.2	Confident	115 Å²	115	73.4 Å²	73.4	54%	0.537	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-59.9	135.4	174.6	-168.1	166.7	-158.3	0	0	111.2	R174 C200	R174-E187 VanDerWaalsContact CG-OE1 3.32Å; R174-E187 WeakPolarHBondContact CG-OE1 3.34Å; E187-C200 WeakPolarHBondContact O-CA 3.34Å; E187-C200 VanDerWaalsContact O-CB 3.28Å; E187-C200 WeakPolarHBondContact O-CB 3.46Å
188	A	86.4	Confident	79.2	Confident	6 Å²	6	73.3 Å²	73.3	5%	0.05	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-75.6	134.7	177.7	0	0	0	0	0	109.9	I175 R186 Y199 P222	I175-A188 HydrophobicContact CG2-CB 4.05Å; I175-A188 VanDerWaalsContact O-CB 3.27Å; I175-A188 WeakPolarHBondContact O-CB 3.42Å; I175-A188 PolarHBondContact O-N 2.91Å; R186-A188 PolarHBondContact O-N 3.49Å; A188-Y199 CarbonylContact C-O 3.59Å; A188-Y199 WeakPolarHBondContact CA-O 3.39Å; A188-P222 WeakPolarHBondContact O-CG 3.44Å
189	V	87.4	Confident	79.4	Confident	64 Å²	64	69.1 Å²	69.1	39%	0.388	36%	0.357	S	S	.	.	S	Bend	trans	-99.9	-24.1	177.6	-61.5	0	0	0	0	111.9	Y199 D201 L204	V189-Y199 WeakPolarHBondContact CG2-O 3.35Å; V189-Y199 PolarHBondContact N-O 3.27Å; V189-D201 HydrophobicContact CG1-CB 4.22Å; V189-D201 HydrophobicContact CG2-CB 3.92Å; V189-L204 HydrophobicContact CG2-CD2 4.47Å
190	K	83.3	Confident	79.8	Confident	79 Å²	79	64.1 Å²	64.1	34%	0.343	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145.9	178.3	-65.6	-65.1	175.4	-174.8	0	110.8	Y199 L204 L219 V220	K190-Y199 PolarHBondContact N-O 2.97Å; K190-Y199 PolarHBondContact O-N 3.4Å; K190-L204 HydrophobicContact CB-CD2 3.97Å; K190-L204 HydrophobicContact CG-CD2 3.91Å; K190-L219 HydrophobicContact CB-CB 4.47Å; K190-L219 HydrophobicContact CB-CD2 4.08Å; K190-V220 WeakPolarHBondContact CA-O 3.44Å; K190-V220 VanDerWaalsContact CD-O 3.31Å; K190-V220 WeakPolarHBondContact CD-O 3.32Å
191	T	81.2	Confident	79.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.3	164.7	-56.4	0	0	0	0	108.7	V193 S198 L219 V220 P222 V223 L228	T191-V193 PolarHBondContact O-N 3.21Å; T191-S198 PolarHBondContact OG1-OG 2.94Å; T191-L219 WeakPolarHBondContact O-CA 3.4Å; T191-V220 PolarHBondContact N-O 3.12Å; T191-V220 VanDerWaalsContact N-O 3.07Å; T191-V220 PolarHBondContact O-N 3.16Å; T191-P222 WeakPolarHBondContact OG1-CA 3.42Å; T191-V223 HydrophobicContact CG2-CG2 3.81Å; T191-V223 PolarHBondContact OG1-N 3.47Å; T191-V223 VanDerWaalsContact OG1-N 3.12Å; T191-L228 HydrophobicContact CG2-CD1 3.98Å
192	C	80.2	Confident	80.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	107.8	169.9	-176.4	0	0	0	0	108.1	T194 C195 E196 V197 Y199 H208 L219	C192-T194 PolarHBondContact O-N 3.2Å; C192-C195 HydrophobicContact CB-CB 4.02Å; C192-C195 CarbonylContact O-C 3.58Å; C192-C195 PolarHBondContact O-N 2.8Å; C192-C195 PolarHBondContact SG-N 3.38Å; C192-C195 VanDerWaalsContact SG-N 3.4Å; C192-E196 WeakPolarHBondContact O-CA 3.48Å; C192-E196 PolarHBondContact O-N 3.5Å; C192-V197 PolarHBondContact N-O 3.31Å; C192-V197 PolarHBondContact O-N 3.35Å; C192-Y199 HydrophobicContact CB-CD2 4.23Å; C192-Y199 HydrophobicContact CB-CE2 3.74Å; C192-H208 PolarHBondContact SG-NE2 2.91Å; C192-H208 VanDerWaalsContact SG-NE2 3.36Å; C192-L219 HydrophobicContact CB-CD2 3.68Å
193	V	71.8	Confident	81	Confident	53 Å²	53	60.7 Å²	60.7	32%	0.321	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.6	179.6	-168.3	0	0	0	0	110.6	T191 R218 V220 L228	T191-V193 PolarHBondContact O-N 3.21Å; V193-R218 PolarHBondContact N-O 3.42Å; V193-V220 HydrophobicContact CG2-CB 4.22Å; V193-V220 HydrophobicContact CG2-CG1 3.76Å; V193-V220 HydrophobicContact CG2-CG2 3.41Å; V193-V220 VanDerWaalsContact CG2-CG2 3.41Å; V193-L228 HydrophobicContact CG1-CD2 4.22Å
194	T	69.1	Low	81.7	Confident	79 Å²	79	54 Å²	54	49%	0.485	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-31.2	176.6	-49.3	0	0	0	0	112.8	C192 H217 R218	C192-T194 PolarHBondContact O-N 3.2Å; T194-H217 HydrophobicContact CG2-CB 4.46Å; T194-H217 WeakPolarHBondContact OG1-CA 3.49Å; T194-R218 PolarHBondContact OG1-N 3.3Å
195	C	75.1	Confident	82.2	Confident	45 Å²	45	56.5 Å²	56.5	30%	0.304	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-6.5	177.1	-64.8	0	0	0	0	113.4	C192 V197 H208 H217	C192-C195 HydrophobicContact CB-CB 4.02Å; C192-C195 CarbonylContact O-C 3.58Å; C192-C195 PolarHBondContact O-N 2.8Å; C192-C195 PolarHBondContact SG-N 3.38Å; C192-C195 VanDerWaalsContact SG-N 3.4Å; C195-V197 HydrophobicContact CB-CB 4.47Å; C195-V197 WeakPolarHBondContact O-CG2 3.19Å; C195-V197 PolarHBondContact O-N 3.48Å; C195-H208 PolarHBondContact SG-NE2 3.28Å; C195-H208 VanDerWaalsContact SG-NE2 3.36Å; C195-H217 PolarHBondContact SG-CE1 3.46Å; C195-H217 PolarHBondContact SG-ND1 3.47Å
196	E	76.9	Confident	82.2	Confident	111 Å²	111	58 Å²	58	52%	0.519	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	35.3	-173.4	-59.3	-179.7	-175.7	0	0	113.4	C192	C192-E196 WeakPolarHBondContact O-CA 3.48Å; C192-E196 PolarHBondContact O-N 3.5Å
197	V	79.1	Confident	81.6	Confident	26 Å²	26	54.6 Å²	54.6	16%	0.158	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.6	-174.2	170.5	0	0	0	0	111.3	Q178 F179 C192 C195 Y199	Q178-V197 HydrophobicContact CB-CG1 4.22Å; F179-V197 HydrophobicContact CD2-CG1 3.58Å; F179-V197 HydrophobicContact CE2-CG1 3.7Å; F179-V197 HydrophobicContact CE2-CG2 4.23Å; C192-V197 PolarHBondContact N-O 3.31Å; C192-V197 PolarHBondContact O-N 3.35Å; C195-V197 HydrophobicContact CB-CB 4.47Å; C195-V197 WeakPolarHBondContact O-CG2 3.19Å; C195-V197 PolarHBondContact O-N 3.48Å; V197-Y199 HydrophobicContact CB-CE1 4.37Å; V197-Y199 HydrophobicContact CB-CE2 3.77Å; V197-Y199 HydrophobicContact CG1-CD1 4.03Å; V197-Y199 HydrophobicContact CG1-CD2 4.15Å; V197-Y199 HydrophobicContact CG1-CE1 3.52Å; V197-Y199 HydrophobicContact CG1-CE2 3.65Å; V197-Y199 HydrophobicContact CG1-CG 4.32Å; V197-Y199 WeakPolarHBondContact O-CD2 3.44Å; V197-Y199 WeakPolarHBondContact O-CE2 3.49Å
198	S	85.8	Confident	81.1	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.6	174.5	-63.7	0	0	0	0	111.3	C177 Q178 T191	C177-S198 WeakPolarHBondContact CA-O 3.44Å; Q178-S198 PolarHBondContact N-O 3.46Å; T191-S198 PolarHBondContact OG1-OG 2.94Å
199	Y	85	Confident	80.4	Confident	8 Å²	8	52.2 Å²	52.2	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.2	-174.5	-60	-82.3	0	0	0	111.5	F179 A188 V189 K190 C192 V197 C203 L204 T207 H208	F179-Y199 HydrophobicContact CB-CD1 4.29Å; F179-Y199 HydrophobicContact CB-CE1 4.37Å; F179-Y199 HydrophobicContact CD2-CD1 4.08Å; F179-Y199 AromaticContact CD2-CE1 3.44Å; F179-Y199 HydrophobicContact CD2-CE1 3.44Å; F179-Y199 VanDerWaalsContact CD2-CE1 3.44Å; F179-Y199 AromaticContact CE2-CE1 3.77Å; F179-Y199 HydrophobicContact CE2-CE1 3.77Å; F179-Y199 HydrophobicContact CG-CD1 4.32Å; F179-Y199 AromaticContact CG-CE1 3.9Å; F179-Y199 HydrophobicContact CG-CE1 3.9Å; F179-Y199 HydrophobicContact CZ-CE1 4.48Å; A188-Y199 CarbonylContact C-O 3.59Å; A188-Y199 WeakPolarHBondContact CA-O 3.39Å; V189-Y199 WeakPolarHBondContact CG2-O 3.35Å; V189-Y199 PolarHBondContact N-O 3.27Å; K190-Y199 PolarHBondContact N-O 2.97Å; K190-Y199 PolarHBondContact O-N 3.4Å; C192-Y199 HydrophobicContact CB-CD2 4.23Å; C192-Y199 HydrophobicContact CB-CE2 3.74Å; V197-Y199 HydrophobicContact CB-CE1 4.37Å; V197-Y199 HydrophobicContact CB-CE2 3.77Å; V197-Y199 HydrophobicContact CG1-CD1 4.03Å; V197-Y199 HydrophobicContact CG1-CD2 4.15Å; V197-Y199 HydrophobicContact CG1-CE1 3.52Å; V197-Y199 HydrophobicContact CG1-CE2 3.65Å; V197-Y199 HydrophobicContact CG1-CG 4.32Å; V197-Y199 WeakPolarHBondContact O-CD2 3.44Å; V197-Y199 WeakPolarHBondContact O-CE2 3.49Å; Y199-C203 HydrophobicContact CD1-CB 4.21Å; Y199-L204 HydrophobicContact CD2-CD1 3.92Å; Y199-L204 HydrophobicContact CG-CB 4.38Å; Y199-L204 HydrophobicContact CG-CD1 4.16Å; Y199-T207 HydrophobicContact CE1-CG2 4.14Å; Y199-T207 WeakPolarHBondContact CE1-OG1 3.26Å; Y199-H208 AromaticContact CE2-CE1 3.56Å; Y199-H208 AromaticContact CE2-ND1 3.95Å; Y199-H208 AromaticContact CZ-CE1 3.64Å
200	C	88.8	Confident	79.5	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.034	30%	0.298	C	S	.	.			trans	-72.5	163.4	159.8	78.4	0	0	0	0	109.4	C177 C180 R186 E187 R202 C203 L204	C177-C200 HydrophobicContact CB-CB 3.79Å; C177-C200 VanDerWaalsContact CB-N 3.34Å; C177-C200 PolarHBondContact SG-N 2.88Å; C180-C200 PolarHBondContact SG-SG 3.08Å; R186-C200 HydrophobicContact CB-CB 3.74Å; E187-C200 WeakPolarHBondContact O-CA 3.34Å; E187-C200 VanDerWaalsContact O-CB 3.28Å; E187-C200 WeakPolarHBondContact O-CB 3.46Å; C200-R202 PolarHBondContact O-N 2.94Å; C200-R202 VanDerWaalsContact O-N 3.11Å; C200-C203 PolarHBondContact O-N 3.01Å; C200-C203 VanDerWaalsContact SG-SG 3.68Å; C200-L204 VanDerWaalsContact O-CB 3.32Å; C200-L204 WeakPolarHBondContact O-CB 3.38Å; C200-L204 PolarHBondContact O-N 2.97Å
201	D	85.4	Confident	78.5	Confident	76 Å²	76	60.6 Å²	60.6	41%	0.406	31%	0.314	S	S	.	.	H	α-helix	trans	-57.8	-31.8	-174.6	-177.8	64.2	0	0	0	113.9	V189 R205	V189-D201 HydrophobicContact CG1-CB 4.22Å; V189-D201 HydrophobicContact CG2-CB 3.92Å; D201-R205 WeakPolarHBondContact O-CG 3.49Å; D201-R205 PolarHBondContact O-N 2.91Å; D201-R205 PolarHBondContact O-NE 3.41Å; D201-R205 VanDerWaalsContact O-NE 3.14Å; D201-R205 IonicContact OD2-CZ 3.62Å; D201-R205 IonicContact OD2-NE 2.65Å; D201-R205 PolarHBondContact OD2-NE 2.88Å; D201-R205 IonicContact OD2-NH1 2.71Å; D201-R205 IonicContact OD2-NH2 2.67Å; D201-R205 PolarHBondContact OD2-NH2 3.16Å
202	R	85.8	Confident	76.8	Confident	160 Å²	160	69.8 Å²	69.8	60%	0.604	35%	0.354	S	S	*	.	H	α-helix	trans	-72.8	-51.4	176.5	-174.2	-178.4	177	-166.6	-0.5	111.9	C200 L204 R205 A206	C200-R202 PolarHBondContact O-N 2.94Å; C200-R202 VanDerWaalsContact O-N 3.11Å; R202-L204 VanDerWaalsContact C-N 3.3Å; R202-L204 PolarHBondContact O-N 3.49Å; R202-R205 PolarHBondContact O-N 3.23Å; R202-A206 PolarHBondContact O-N 3.14Å; R202-A206 VanDerWaalsContact O-N 3.17Å
203	C	84.8	Confident	75.6	Confident	20 Å²	20	73.5 Å²	73.5	14%	0.135	38%	0.378	C	S	.	.	H	α-helix	trans	-67.5	-34	-178.6	-63.8	0	0	0	0	111.3	F179 C180 Y199 C200 A206 T207	F179-C203 HydrophobicContact CB-CB 3.96Å; F179-C203 PolarHBondContact O-SG 3.32Å; C180-C203 VanDerWaalsContact SG-SG 3.62Å; Y199-C203 HydrophobicContact CD1-CB 4.21Å; C200-C203 PolarHBondContact O-N 3.01Å; C200-C203 VanDerWaalsContact SG-SG 3.68Å; C203-A206 PolarHBondContact O-N 3.38Å; C203-T207 WeakPolarHBondContact O-CG2 3.33Å; C203-T207 PolarHBondContact O-N 2.96Å; C203-T207 PolarHBondContact O-OG1 3.48Å
204	L	82.9	Confident	75.2	Confident	19 Å²	19	74.7 Å²	74.7	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-59.8	-47.8	174.7	-177.1	63.6	0	0	0	111.1	V189 K190 Y199 C200 R202 A206 T207 H208 L219	V189-L204 HydrophobicContact CG2-CD2 4.47Å; K190-L204 HydrophobicContact CB-CD2 3.97Å; K190-L204 HydrophobicContact CG-CD2 3.91Å; Y199-L204 HydrophobicContact CD2-CD1 3.92Å; Y199-L204 HydrophobicContact CG-CB 4.38Å; Y199-L204 HydrophobicContact CG-CD1 4.16Å; C200-L204 VanDerWaalsContact O-CB 3.32Å; C200-L204 WeakPolarHBondContact O-CB 3.38Å; C200-L204 PolarHBondContact O-N 2.97Å; R202-L204 VanDerWaalsContact C-N 3.3Å; R202-L204 PolarHBondContact O-N 3.49Å; L204-A206 VanDerWaalsContact C-N 3.29Å; L204-A206 PolarHBondContact O-N 3.08Å; L204-T207 PolarHBondContact O-N 3.05Å; L204-H208 HydrophobicContact CD1-CB 4.07Å; L204-H208 CarbonylContact O-C 3.56Å; L204-H208 WeakPolarHBondContact O-CA 3.37Å; L204-H208 WeakPolarHBondContact O-CB 3.36Å; L204-H208 PolarHBondContact O-N 2.86Å; L204-L219 HydrophobicContact CD1-CD1 4.11Å; L204-L219 HydrophobicContact CD1-CD2 3.59Å; L204-L219 HydrophobicContact CD2-CD1 4.36Å
205	R	81.9	Confident	75	Confident	159 Å²	159	74.8 Å²	74.8	60%	0.6	38%	0.38	S	S	*	.	H	α-helix	trans	-66.5	-31.2	179	-73.2	-176.3	-72.7	-165.3	4.4	113.2	D201 R202	D201-R205 WeakPolarHBondContact O-CG 3.49Å; D201-R205 PolarHBondContact O-N 2.91Å; D201-R205 PolarHBondContact O-NE 3.41Å; D201-R205 VanDerWaalsContact O-NE 3.14Å; D201-R205 IonicContact OD2-CZ 3.62Å; D201-R205 IonicContact OD2-NE 2.65Å; D201-R205 PolarHBondContact OD2-NE 2.88Å; D201-R205 IonicContact OD2-NH1 2.71Å; D201-R205 IonicContact OD2-NH2 2.67Å; D201-R205 PolarHBondContact OD2-NH2 3.16Å; R202-R205 PolarHBondContact O-N 3.23Å
206	A	80.8	Confident	74.2	Confident	81 Å²	81	77 Å²	77	67%	0.669	40%	0.396	S	S	*	.	H	α-helix	trans	-74.4	-39.6	177.8	0	0	0	0	0	112.5	R202 C203 L204	R202-A206 PolarHBondContact O-N 3.14Å; R202-A206 VanDerWaalsContact O-N 3.17Å; C203-A206 PolarHBondContact O-N 3.38Å; L204-A206 VanDerWaalsContact C-N 3.29Å; L204-A206 PolarHBondContact O-N 3.08Å
207	T	74.8	Confident	73.8	Confident	39 Å²	39	73.8 Å²	73.8	24%	0.239	38%	0.381	C	S	.	.	H	α-helix	trans	-93.3	-25.7	-176.7	62.3	0	0	0	0	113.6	F179 Y199 C203 L204 P209	F179-T207 HydrophobicContact CD1-CG2 4.19Å; F179-T207 HydrophobicContact CE1-CG2 4.28Å; Y199-T207 HydrophobicContact CE1-CG2 4.14Å; Y199-T207 WeakPolarHBondContact CE1-OG1 3.26Å; C203-T207 WeakPolarHBondContact O-CG2 3.33Å; C203-T207 PolarHBondContact O-N 2.96Å; C203-T207 PolarHBondContact O-OG1 3.48Å; L204-T207 PolarHBondContact O-N 3.05Å; T207-P209 VanDerWaalsContact C-CD 3.47Å
208	H	75.8	Confident	73.6	Confident	16 Å²	16	79.6 Å²	79.6	7%	0.074	40%	0.4	C	S	.	.	S	Bend	trans	-127.9	68.2	179.7	-65.3	72.6	0	0	0	111.1	C192 C195 Y199 L204 F214 H217	C192-H208 PolarHBondContact SG-NE2 2.91Å; C192-H208 VanDerWaalsContact SG-NE2 3.36Å; C195-H208 PolarHBondContact SG-NE2 3.28Å; C195-H208 VanDerWaalsContact SG-NE2 3.36Å; Y199-H208 AromaticContact CE2-CE1 3.56Å; Y199-H208 AromaticContact CE2-ND1 3.95Å; Y199-H208 AromaticContact CZ-CE1 3.64Å; L204-H208 HydrophobicContact CD1-CB 4.07Å; L204-H208 CarbonylContact O-C 3.56Å; L204-H208 WeakPolarHBondContact O-CA 3.37Å; L204-H208 WeakPolarHBondContact O-CB 3.36Å; L204-H208 PolarHBondContact O-N 2.86Å; H208-F214 HydrophobicContact CB-CB 4.3Å; H208-H217 AromaticContact CD2-CG 3.95Å; H208-H217 AromaticContact CD2-ND1 3.42Å; H208-H217 PolarHBondContact CD2-ND1 3.44Å; H208-H217 AromaticContact NE2-CE1 3.91Å; H208-H217 AromaticContact NE2-CG 3.88Å; H208-H217 AromaticContact NE2-ND1 2.98Å; H208-H217 PolarHBondContact NE2-ND1 3.42Å
209	P	72.4	Confident	73.3	Confident	54 Å²	54	83 Å²	83	35%	0.351	42%	0.417	S	S	.	.			trans	-65.3	153.6	171.3	28.3	-33.8	0	0	0	110.6	T207 K211 F214	T207-P209 VanDerWaalsContact C-CD 3.47Å; P209-K211 PolarHBondContact O-N 2.93Å; P209-F214 HydrophobicContact CG-CD2 4.27Å
210	N	67.9	Low	73	Confident	162 Å²	162	84.4 Å²	84.4	87%	0.866	43%	0.427	S	S	*	.	S	Bend	trans	-68.3	56.2	176.5	-83	-10.7	0	0	0	112.8
211	K	63.8	Low	72.5	Confident	158 Å²	158	91.4 Å²	91.4	69%	0.687	46%	0.459	S	S	*	.	S	Bend	trans	-141.7	145.8	177.9	-64.2	-174.2	180	-179.2	0	108.9	P209 F214	P209-K211 PolarHBondContact O-N 2.93Å; K211-F214 PolarHBondContact O-N 3.11Å; K211-F214 VanDerWaalsContact O-N 3.16Å
212	K	45.5	Very low	72.2	Confident	192 Å²	192	90 Å²	90	84%	0.835	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	140.4	172.7	-69.9	-175.1	177.4	-176.4	0	109.5
213	P	54.5	Low	71.6	Confident	79 Å²	79	84.5 Å²	84.5	51%	0.513	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.7	-14.1	10.6	34.6	-34.7	0	0	0	114.3	T215 S216	P213-T215 PolarHBondContact O-N 3.33Å; P213-S216 PolarHBondContact O-N 2.97Å; P213-S216 VanDerWaalsContact O-N 3.09Å; P213-S216 PolarHBondContact O-OG 2.61Å
214	F	63.5	Low	70.6	Confident	78 Å²	78	85.8 Å²	85.8	34%	0.342	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-68	-13.2	-167.7	-53.6	-71.2	0	0	0	114.9	H208 P209 K211 S216 H217	H208-F214 HydrophobicContact CB-CB 4.3Å; P209-F214 HydrophobicContact CG-CD2 4.27Å; K211-F214 PolarHBondContact O-N 3.11Å; K211-F214 VanDerWaalsContact O-N 3.16Å; F214-S216 PolarHBondContact O-N 3.38Å; F214-H217 AromaticContact CD1-CE1 3.72Å; F214-H217 WeakPolarHBondContact O-CB 3.41Å; F214-H217 PolarHBondContact O-N 2.9Å
215	T	63.9	Low	69.5	Low	81 Å²	81	89 Å²	89	50%	0.497	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-66	-17.8	171.9	54	0	0	0	0	113.7	P213	P213-T215 PolarHBondContact O-N 3.33Å
216	S	58.2	Low	68.2	Low	92 Å²	92	86.9 Å²	86.9	64%	0.643	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-90.6	-4.8	175.2	62.7	0	0	0	0	113.6	P213 F214	P213-S216 PolarHBondContact O-N 2.97Å; P213-S216 VanDerWaalsContact O-N 3.09Å; P213-S216 PolarHBondContact O-OG 2.61Å; F214-S216 PolarHBondContact O-N 3.38Å
217	H	69.1	Low	67	Low	43 Å²	43	90.7 Å²	90.7	20%	0.199	47%	0.472	C	S	.	.	S	Bend	trans	-75.9	134	179.1	-72.8	-155.9	0	0	0	110.5	T194 C195 H208 F214 L219	T194-H217 HydrophobicContact CG2-CB 4.46Å; T194-H217 WeakPolarHBondContact OG1-CA 3.49Å; C195-H217 PolarHBondContact SG-CE1 3.46Å; C195-H217 PolarHBondContact SG-ND1 3.47Å; H208-H217 AromaticContact CD2-CG 3.95Å; H208-H217 AromaticContact CD2-ND1 3.42Å; H208-H217 PolarHBondContact CD2-ND1 3.44Å; H208-H217 AromaticContact NE2-CE1 3.91Å; H208-H217 AromaticContact NE2-CG 3.88Å; H208-H217 AromaticContact NE2-ND1 2.98Å; H208-H217 PolarHBondContact NE2-ND1 3.42Å; F214-H217 AromaticContact CD1-CE1 3.72Å; F214-H217 WeakPolarHBondContact O-CB 3.41Å; F214-H217 PolarHBondContact O-N 2.9Å; H217-L219 PolarHBondContact O-N 3.01Å
218	R	75.1	Confident	66.1	Low	148 Å²	148	90.2 Å²	90.2	56%	0.558	47%	0.468	S	S	*	.			trans	-86.9	113.8	-177.6	-175.2	178.7	175.8	-176.7	-1.5	110.6	V193 T194 V220	V193-R218 PolarHBondContact N-O 3.42Å; T194-R218 PolarHBondContact OG1-N 3.3Å; R218-V220 HydrophobicContact CG-CG1 4.35Å
219	L	79.2	Confident	64.9	Low	73 Å²	73	100.3 Å²	100.3	38%	0.382	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.4	175.3	-66.7	166.4	0	0	0	110.6	K190 T191 C192 L204 H217	K190-L219 HydrophobicContact CB-CB 4.47Å; K190-L219 HydrophobicContact CB-CD2 4.08Å; T191-L219 WeakPolarHBondContact O-CA 3.4Å; C192-L219 HydrophobicContact CB-CD2 3.68Å; L204-L219 HydrophobicContact CD1-CD1 4.11Å; L204-L219 HydrophobicContact CD1-CD2 3.59Å; L204-L219 HydrophobicContact CD2-CD1 4.36Å; H217-L219 PolarHBondContact O-N 3.01Å
220	V	79.3	Confident	64.1	Low	37 Å²	37	100.1 Å²	100.1	22%	0.224	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	171.5	176.9	-63.1	0	0	0	0	110.8	K190 T191 V193 R218 V223	K190-V220 WeakPolarHBondContact CA-O 3.44Å; K190-V220 VanDerWaalsContact CD-O 3.31Å; K190-V220 WeakPolarHBondContact CD-O 3.32Å; T191-V220 PolarHBondContact N-O 3.12Å; T191-V220 VanDerWaalsContact N-O 3.07Å; T191-V220 PolarHBondContact O-N 3.16Å; V193-V220 HydrophobicContact CG2-CB 4.22Å; V193-V220 HydrophobicContact CG2-CG1 3.76Å; V193-V220 HydrophobicContact CG2-CG2 3.41Å; V193-V220 VanDerWaalsContact CG2-CG2 3.41Å; R218-V220 HydrophobicContact CG-CG1 4.35Å; V220-V223 HydrophobicContact CG2-CG2 4.21Å
221	E	78.4	Confident	63.7	Low	152 Å²	152	97.7 Å²	97.7	71%	0.71	50%	0.499	S	S	*	.	S	Bend	trans	-56.8	149	168.4	-66.9	-167.9	159.5	0	0	110.4	V223	E221-V223 PolarHBondContact O-N 3.24Å
222	P	79.7	Confident	63.8	Low	46 Å²	46	93.4 Å²	93.4	30%	0.299	49%	0.486	S	S	.	.			trans	-50.6	118.5	-178.1	-26.6	35.1	0	0	0	110.8	I175 A188 T191	I175-P222 HydrophobicContact CB-CB 3.97Å; I175-P222 HydrophobicContact CD1-CB 3.6Å; I175-P222 WeakPolarHBondContact CD1-O 3.32Å; I175-P222 HydrophobicContact CG1-CB 4.43Å; I175-P222 HydrophobicContact CG2-CB 4.31Å; A188-P222 WeakPolarHBondContact O-CG 3.44Å; T191-P222 WeakPolarHBondContact OG1-CA 3.42Å
223	V	72	Confident	64.9	Low	45 Å²	45	84.3 Å²	84.3	27%	0.273	45%	0.447	S	S	.	.			trans	-113.1	140.1	175.6	-74.3	0	0	0	0	110.5	T191 V220 E221 L228	T191-V223 HydrophobicContact CG2-CG2 3.81Å; T191-V223 PolarHBondContact OG1-N 3.47Å; T191-V223 VanDerWaalsContact OG1-N 3.12Å; V220-V223 HydrophobicContact CG2-CG2 4.21Å; E221-V223 PolarHBondContact O-N 3.24Å; V223-L228 HydrophobicContact CG2-CD1 4.37Å; V223-L228 HydrophobicContact CG2-CD2 4.04Å; V223-L228 HydrophobicContact CG2-CG 4.14Å
224	P	64.7	Low	65.5	Low	47 Å²	47	85.5 Å²	85.5	31%	0.305	45%	0.449	S	S	.	.			trans	-64.4	144.9	176.1	-18.4	31.2	0	0	0	111.1	P173 I175 T226 H227	P173-P224 HydrophobicContact CG-CG 4.31Å; I175-P224 HydrophobicContact CD1-CG 4.06Å; I175-P224 HydrophobicContact CG1-CG 4.45Å; P224-T226 PolarHBondContact O-N 2.84Å; P224-H227 PolarHBondContact O-N 3.13Å
225	D	58.8	Low	65.6	Low	87 Å²	87	84.4 Å²	84.4	47%	0.465	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-51.8	-26.3	-177.9	-116.5	4.8	0	0	0	113.9	H227 L228	D225-H227 VanDerWaalsContact C-N 3.32Å; D225-H227 PolarHBondContact O-N 3.34Å; D225-L228 PolarHBondContact O-N 3.09Å
226	T	54.9	Low	65.9	Low	114 Å²	114	83.1 Å²	83.1	70%	0.699	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-68.2	-25.8	179.1	50.6	0	0	0	0	113.9	P224	P224-T226 PolarHBondContact O-N 2.84Å
227	H	55.5	Low	66.1	Low	162 Å²	162	86.3 Å²	86.3	75%	0.75	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-89.4	-8.5	178.2	-90.5	-113.5	0	0	0	113.8	P224 D225	P224-H227 PolarHBondContact O-N 3.13Å; D225-H227 VanDerWaalsContact C-N 3.32Å; D225-H227 PolarHBondContact O-N 3.34Å
228	L	55.5	Low	65.9	Low	29 Å²	29	91.8 Å²	91.8	15%	0.152	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-20.2	175.9	-68.4	165.5	0	0	0	112.4	T191 V193 V223 D225 G230	T191-L228 HydrophobicContact CG2-CD1 3.98Å; V193-L228 HydrophobicContact CG1-CD2 4.22Å; V223-L228 HydrophobicContact CG2-CD1 4.37Å; V223-L228 HydrophobicContact CG2-CD2 4.04Å; V223-L228 HydrophobicContact CG2-CG 4.14Å; D225-L228 PolarHBondContact O-N 3.09Å; L228-G230 PolarHBondContact O-N 3.28Å
229	R	51.9	Low	65.7	Low	228 Å²	228	88.5 Å²	88.5	86%	0.86	46%	0.459	S	S	*	.	S	Bend	trans	-85.7	74.8	-179.5	-73.9	-166.9	-177.4	-142.2	1.6	112.4
230	G	55.6	Low	65.4	Low	50 Å²	50	93 Å²	93	52%	0.515	48%	0.476	S	S	.	.	S	Bend	trans	178.1	107.7	166.3	0	0	0	0	0	110.1	L228 T232	L228-G230 PolarHBondContact O-N 3.28Å; G230-T232 PolarHBondContact O-N 3.48Å
231	L	59.6	Low	65.1	Low	110 Å²	110	92 Å²	92	58%	0.576	47%	0.47	S	S	*	.			trans	-73	98.6	178.5	-66.1	163.3	0	0	0	109.6	V241 L251	L231-V241 HydrophobicContact CB-CG2 3.37Å; L231-V241 HydrophobicContact CD1-CG2 4.3Å; L231-V241 HydrophobicContact CG-CG2 4.39Å; L231-V241 PolarHBondContact O-N 3.01Å; L231-L251 HydrophobicContact CD1-CD1 4.02Å; L231-L251 HydrophobicContact CD2-CD1 3.93Å
232	T	65.7	Low	64.8	Low	68 Å²	68	88.7 Å²	88.7	42%	0.417	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.8	171.3	54.7	0	0	0	0	110.9	G230 L234 E237 E239 V241	G230-T232 PolarHBondContact O-N 3.48Å; T232-L234 PolarHBondContact O-N 2.9Å; T232-E237 WeakPolarHBondContact CB-O 3.44Å; T232-E237 WeakPolarHBondContact CG2-O 3.45Å; T232-E239 CarbonylContact C-O 3.47Å; T232-E239 WeakPolarHBondContact CA-O 3.25Å; T232-E239 WeakPolarHBondContact CB-O 3.47Å; T232-V241 VanDerWaalsContact C-CG1 3.46Å
233	C	68.9	Low	64.7	Low	2 Å²	2	88.6 Å²	88.6	1%	0.014	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	133	-179.3	-162.2	0	0	0	0	108	E235 H236 E239 V241 C253 C256	C233-E235 PolarHBondContact O-N 3.18Å; C233-H236 HydrophobicContact CB-CB 4.23Å; C233-H236 CarbonylContact O-C 3.22Å; C233-H236 PolarHBondContact O-N 3.42Å; C233-H236 VanDerWaalsContact O-O 3.12Å; C233-E239 PolarHBondContact N-O 3.37Å; C233-V241 HydrophobicContact CB-CG1 4.21Å; C233-C253 HydrophobicContact CB-CB 3.64Å; C233-C253 WeakPolarHBondContact CB-SG 3.39Å; C233-C253 PolarHBondContact SG-N 2.89Å; C233-C256 WeakPolarHBondContact CB-SG 3.37Å; C233-C256 WeakPolarHBondContact SG-CB 3.43Å; C233-C256 CovalentContact SG-SG 2.12Å; C233-C256 PolarHBondContact SG-SG 3.3Å
234	L	66.1	Low	64.9	Low	103 Å²	103	87.9 Å²	87.9	54%	0.539	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.6	179.8	-68	167.1	0	0	0	113.3	T232 Q250	T232-L234 PolarHBondContact O-N 2.9Å; L234-Q250 HydrophobicContact CD1-CG 4.29Å
235	E	66	Low	65.7	Low	55 Å²	55	85.6 Å²	85.6	26%	0.257	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-21.9	175.3	-54.5	-169.5	157	0	0	113.6	C233 R261 H262	C233-E235 PolarHBondContact O-N 3.18Å; E235-R261 IonicContact OE1-CZ 3.74Å; E235-R261 IonicContact OE1-NE 2.79Å; E235-R261 PolarHBondContact OE1-NE 2.68Å; E235-R261 IonicContact OE1-NH2 3.84Å; E235-R261 PolarHBondContact OE1-NH2 3.27Å; E235-R261 IonicContact OE2-NE 3.53Å; E235-H262 IonicContact OE1-NE2 2.97Å
236	H	69.4	Low	66.4	Low	54 Å²	54	83.6 Å²	83.6	25%	0.25	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	89.3	-176.2	-57.3	99.6	0	0	0	108.4	C233 N238 E239 C256	C233-H236 HydrophobicContact CB-CB 4.23Å; C233-H236 CarbonylContact O-C 3.22Å; C233-H236 PolarHBondContact O-N 3.42Å; C233-H236 VanDerWaalsContact O-O 3.12Å; H236-N238 PolarHBondContact O-N 2.87Å; H236-E239 HydrophobicContact CB-CB 3.93Å; H236-E239 HydrophobicContact CB-CG 3.88Å; H236-E239 PolarHBondContact O-N 2.9Å; H236-C256 VanDerWaalsContact CE1-SG 3.6Å; H236-C256 PolarHBondContact ND1-SG 3.31Å
237	E	61.9	Low	67.5	Low	160 Å²	160	82.3 Å²	82.3	75%	0.748	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	-24	-166.4	-63.6	-177.7	159.9	0	0	114.2	T232	T232-E237 WeakPolarHBondContact CB-O 3.44Å; T232-E237 WeakPolarHBondContact CG2-O 3.45Å
238	N	64.9	Low	68.2	Low	157 Å²	157	78 Å²	78	84%	0.84	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	-1.9	179.7	-67.3	-25.4	0	0	0	114.2	H236	H236-N238 PolarHBondContact O-N 2.87Å
239	E	71.1	Confident	69	Low	79 Å²	79	80.4 Å²	80.4	37%	0.369	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.1	-178.8	-71.4	-63.9	143.2	0	0	111.2	T232 C233 H236 C253 L255	T232-E239 CarbonylContact C-O 3.47Å; T232-E239 WeakPolarHBondContact CA-O 3.25Å; T232-E239 WeakPolarHBondContact CB-O 3.47Å; C233-E239 PolarHBondContact N-O 3.37Å; H236-E239 HydrophobicContact CB-CB 3.93Å; H236-E239 HydrophobicContact CB-CG 3.88Å; H236-E239 PolarHBondContact O-N 2.9Å; E239-C253 HydrophobicContact CB-CB 3.56Å; E239-C253 VanDerWaalsContact CB-SG 3.52Å; E239-C253 HydrophobicContact CG-CB 4.47Å; E239-L255 HydrophobicContact CG-CD1 3.48Å; E239-L255 VanDerWaalsContact CG-CD1 3.48Å; E239-L255 HydrophobicContact CG-CG 3.94Å
240	K	72.9	Confident	70	Confident	168 Å²	168	72.9 Å²	72.9	73%	0.73	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.8	174.8	-64.9	-176.8	-179.8	-179.7	0	109.9	N242 C253	K240-N242 PolarHBondContact O-N 3.32Å; K240-C253 VanDerWaalsContact O-CB 3.24Å; K240-C253 WeakPolarHBondContact O-CB 3.35Å
241	V	74.1	Confident	70.9	Confident	17 Å²	17	73.2 Å²	73.2	10%	0.103	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.9	130.2	169.8	-55	0	0	0	0	109.1	L231 T232 C233 L251 I252 L270	L231-V241 HydrophobicContact CB-CG2 3.37Å; L231-V241 HydrophobicContact CD1-CG2 4.3Å; L231-V241 HydrophobicContact CG-CG2 4.39Å; L231-V241 PolarHBondContact O-N 3.01Å; T232-V241 VanDerWaalsContact C-CG1 3.46Å; C233-V241 HydrophobicContact CB-CG1 4.21Å; V241-L251 HydrophobicContact CB-CB 4.04Å; V241-L251 HydrophobicContact CG1-CB 4.08Å; V241-L251 HydrophobicContact CG2-CB 3.99Å; V241-L251 HydrophobicContact CG2-CD1 4.32Å; V241-L251 HydrophobicContact CG2-CD2 4.43Å; V241-L251 HydrophobicContact CG2-CG 4.5Å; V241-I252 WeakPolarHBondContact CA-O 3.3Å; V241-L270 HydrophobicContact CG2-CD1 4.17Å
242	N	71.5	Confident	71.8	Confident	82 Å²	82	68 Å²	68	44%	0.439	34%	0.344	S	S	.	.			trans	-140.1	-1.2	-178.9	62.6	-6.2	0	0	0	112.3	K240 I252 A254	K240-N242 PolarHBondContact O-N 3.32Å; N242-I252 PolarHBondContact N-O 3.36Å; N242-I252 VanDerWaalsContact N-O 3.09Å; N242-A254 PolarHBondContact OD1-N 3.4Å; N242-A254 VanDerWaalsContact OD1-N 3.15Å
243	M	76.9	Confident	72.6	Confident	43 Å²	43	64.8 Å²	64.8	21%	0.212	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.7	175.8	-63.5	-151.5	-73.1	0	0	110.9	I252 K257 V267 S268	M243-I252 HydrophobicContact CB-CD1 4.49Å; M243-I252 HydrophobicContact CB-CG1 4.01Å; M243-I252 PolarHBondContact N-O 2.95Å; M243-I252 PolarHBondContact O-N 3.41Å; M243-K257 HydrophobicContact CE-CB 3.61Å; M243-K257 HydrophobicContact CE-CG 3.91Å; M243-V267 HydrophobicContact CE-CG2 4.12Å; M243-V267 HydrophobicContact SD-CG2 3.96Å; M243-S268 CarbonylContact C-O 3.52Å; M243-S268 WeakPolarHBondContact CA-O 3.49Å
244	Y	77.7	Confident	73	Confident	30 Å²	30	66 Å²	66	12%	0.118	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.9	177.4	-168.7	-85.6	0	0	0	109.2	L246 D249 L251 V267 S268 R273	Y244-L246 HydrophobicContact CD1-CD2 4Å; Y244-L246 PolarHBondContact O-N 3.35Å; Y244-D249 VanDerWaalsContact CZ-C 3.5Å; Y244-D249 PolarHBondContact OH-O 2.94Å; Y244-D249 VanDerWaalsContact OH-O 3.13Å; Y244-D249 PolarHBondContact OH-OD1 3.28Å; Y244-D249 PolarHBondContact OH-OD2 3.17Å; Y244-L251 HydrophobicContact CD2-CD2 3.83Å; Y244-L251 HydrophobicContact CD2-CG 4.33Å; Y244-L251 HydrophobicContact CE2-CD2 4.49Å; Y244-V267 CarbonylContact O-C 3.5Å; Y244-V267 VanDerWaalsContact O-CA 3.22Å; Y244-V267 WeakPolarHBondContact O-CA 3.46Å; Y244-S268 PolarHBondContact N-O 3.07Å; Y244-S268 PolarHBondContact O-N 2.95Å; Y244-R273 VanDerWaalsContact CE1-NH2 3.3Å; Y244-R273 PolarHBondContact OH-NH2 3.22Å
245	C	80.3	Confident	73.6	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.6	172.7	-169.8	0	0	0	0	110.1	V247 D248 D249 Q250 I252 H265 V267	C245-V247 VanDerWaalsContact C-N 3.31Å; C245-D248 PolarHBondContact SG-OD2 3.42Å; C245-D249 WeakPolarHBondContact O-CA 3.29Å; C245-D249 PolarHBondContact O-N 3.46Å; C245-D249 VanDerWaalsContact O-N 3.13Å; C245-Q250 PolarHBondContact N-O 2.93Å; C245-Q250 PolarHBondContact O-N 3.39Å; C245-I252 HydrophobicContact CB-CD1 4.14Å; C245-I252 HydrophobicContact CB-CG1 4.43Å; C245-I252 HydrophobicContact CB-CG2 4.21Å; C245-H265 VanDerWaalsContact SG-CB 3.51Å; C245-V267 HydrophobicContact CB-CG1 4.36Å
246	L	75.1	Confident	74.3	Confident	45 Å²	45	61.5 Å²	61.5	24%	0.236	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-21.8	179.6	-55.2	176.3	0	0	0	112.3	Y244 Q266	Y244-L246 HydrophobicContact CD1-CD2 4Å; Y244-L246 PolarHBondContact O-N 3.35Å; L246-Q266 HydrophobicContact CB-CB 4.44Å; L246-Q266 HydrophobicContact CD1-CB 4.31Å; L246-Q266 HydrophobicContact CD1-CG 3.89Å; L246-Q266 PolarHBondContact N-O 3.26Å
247	V	76.1	Confident	74.7	Confident	87 Å²	87	61.6 Å²	61.6	53%	0.527	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-45	-178.1	-178.5	0	0	0	0	111.1	C245 H265 Q266	C245-V247 VanDerWaalsContact C-N 3.31Å; V247-H265 HydrophobicContact CB-CB 4.07Å; V247-H265 HydrophobicContact CG2-CB 3.87Å; V247-Q266 HydrophobicContact CG2-CB 4.35Å
248	D	71.7	Confident	75.4	Confident	71 Å²	71	59.6 Å²	59.6	38%	0.38	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	3	-177.3	-44.8	-72.9	0	0	0	113.6	C245 Q250 H262 H265	C245-D248 PolarHBondContact SG-OD2 3.42Å; D248-Q250 VanDerWaalsContact C-N 3.26Å; D248-Q250 PolarHBondContact O-N 2.99Å; D248-H262 IonicContact OD2-CE1 3.43Å; D248-H262 PolarHBondContact OD2-CE1 3.45Å; D248-H262 IonicContact OD2-CG 2.82Å; D248-H262 IonicContact OD2-ND1 3.98Å; D248-H262 PolarHBondContact OD2-ND1 3.47Å; D248-H265 IonicContact OD1-CE1 3.78Å; D248-H265 PolarHBondContact OD1-CE1 2.9Å; D248-H265 IonicContact OD1-ND1 3.81Å; D248-H265 IonicContact OD2-CE1 2.68Å; D248-H265 PolarHBondContact OD2-CE1 2.96Å; D248-H265 VanDerWaalsContact OD2-CE1 3.28Å; D248-H265 IonicContact OD2-CG 2.71Å; D248-H265 IonicContact OD2-ND1 2.8Å; D248-H265 PolarHBondContact OD2-ND1 3.38Å
249	D	71	Confident	75.9	Confident	79 Å²	79	57.7 Å²	57.7	42%	0.422	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	36.2	179.7	-147.8	52.4	0	0	0	114.4	Y244 C245 K296	Y244-D249 VanDerWaalsContact CZ-C 3.5Å; Y244-D249 PolarHBondContact OH-O 2.94Å; Y244-D249 VanDerWaalsContact OH-O 3.13Å; Y244-D249 PolarHBondContact OH-OD1 3.28Å; Y244-D249 PolarHBondContact OH-OD2 3.17Å; C245-D249 WeakPolarHBondContact O-CA 3.29Å; C245-D249 PolarHBondContact O-N 3.46Å; C245-D249 VanDerWaalsContact O-N 3.13Å; D249-K296 WeakPolarHBondContact OD1-CE 3.43Å
250	Q	72.9	Confident	76.1	Confident	71 Å²	71	54.8 Å²	54.8	33%	0.332	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.7	-169.3	-170.2	167.9	68.1	0	0	113.4	L234 C245 D248	L234-Q250 HydrophobicContact CD1-CG 4.29Å; C245-Q250 PolarHBondContact N-O 2.93Å; C245-Q250 PolarHBondContact O-N 3.39Å; D248-Q250 VanDerWaalsContact C-N 3.26Å; D248-Q250 PolarHBondContact O-N 2.99Å
251	L	75.9	Confident	76.4	Confident	57 Å²	57	56.1 Å²	56.1	30%	0.298	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.9	169.4	-67.2	169.2	0	0	0	110.2	L231 V241 Y244 L270	L231-L251 HydrophobicContact CD1-CD1 4.02Å; L231-L251 HydrophobicContact CD2-CD1 3.93Å; V241-L251 HydrophobicContact CB-CB 4.04Å; V241-L251 HydrophobicContact CG1-CB 4.08Å; V241-L251 HydrophobicContact CG2-CB 3.99Å; V241-L251 HydrophobicContact CG2-CD1 4.32Å; V241-L251 HydrophobicContact CG2-CD2 4.43Å; V241-L251 HydrophobicContact CG2-CG 4.5Å; Y244-L251 HydrophobicContact CD2-CD2 3.83Å; Y244-L251 HydrophobicContact CD2-CG 4.33Å; Y244-L251 HydrophobicContact CE2-CD2 4.49Å; L251-L270 HydrophobicContact CD2-CD1 4.07Å; L251-L270 HydrophobicContact CD2-CD2 3.22Å; L251-L270 HydrophobicContact CD2-CG 4.28Å
252	I	77.8	Confident	76.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.9	-177.7	64.7	162	0	0	0	111.1	V241 N242 M243 C245 C256 K257 H262 V267	V241-I252 WeakPolarHBondContact CA-O 3.3Å; N242-I252 PolarHBondContact N-O 3.36Å; N242-I252 VanDerWaalsContact N-O 3.09Å; M243-I252 HydrophobicContact CB-CD1 4.49Å; M243-I252 HydrophobicContact CB-CG1 4.01Å; M243-I252 PolarHBondContact N-O 2.95Å; M243-I252 PolarHBondContact O-N 3.41Å; C245-I252 HydrophobicContact CB-CD1 4.14Å; C245-I252 HydrophobicContact CB-CG1 4.43Å; C245-I252 HydrophobicContact CB-CG2 4.21Å; I252-C256 HydrophobicContact CB-CB 3.73Å; I252-C256 HydrophobicContact CD1-CB 4.34Å; I252-C256 HydrophobicContact CG2-CB 4.28Å; I252-K257 HydrophobicContact CD1-CB 4.37Å; I252-H262 HydrophobicContact CD1-CB 4.13Å; I252-V267 HydrophobicContact CD1-CB 4.47Å; I252-V267 HydrophobicContact CD1-CG1 3.58Å
253	C	81.6	Confident	76.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.297	C	S	.	.			trans	-89.7	173.9	168.1	70.5	0	0	0	0	111.5	C233 E239 K240 L255 C256	C233-C253 HydrophobicContact CB-CB 3.64Å; C233-C253 WeakPolarHBondContact CB-SG 3.39Å; C233-C253 PolarHBondContact SG-N 2.89Å; E239-C253 HydrophobicContact CB-CB 3.56Å; E239-C253 VanDerWaalsContact CB-SG 3.52Å; E239-C253 HydrophobicContact CG-CB 4.47Å; K240-C253 VanDerWaalsContact O-CB 3.24Å; K240-C253 WeakPolarHBondContact O-CB 3.35Å; C253-L255 VanDerWaalsContact C-N 3.29Å; C253-L255 PolarHBondContact O-N 2.67Å; C253-L255 PolarHBondContact SG-N 3Å; C253-C256 WeakPolarHBondContact O-CB 3.28Å; C253-C256 PolarHBondContact O-N 3.27Å; C253-C256 PolarHBondContact SG-SG 2.68Å
254	A	77.9	Confident	76.8	Confident	29 Å²	29	64.6 Å²	64.6	24%	0.24	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-36.5	176	0	0	0	0	0	113.1	N242 C256 K257 L258	N242-A254 PolarHBondContact OD1-N 3.4Å; N242-A254 VanDerWaalsContact OD1-N 3.15Å; A254-C256 VanDerWaalsContact C-N 3.32Å; A254-C256 PolarHBondContact O-N 2.65Å; A254-K257 PolarHBondContact O-N 3.45Å; A254-K257 VanDerWaalsContact O-N 3.12Å; A254-L258 HydrophobicContact CB-CD1 4.32Å; A254-L258 WeakPolarHBondContact O-CD1 3.3Å; A254-L258 PolarHBondContact O-N 3.07Å
255	L	79.4	Confident	77	Confident	62 Å²	62	65.8 Å²	65.8	33%	0.325	33%	0.331	S	S	.	.	H	α-helix	trans	-64.7	-37.5	178.7	-58.9	-172.4	0	0	0	112.3	E239 C253 K257 L258 V259 G260	E239-L255 HydrophobicContact CG-CD1 3.48Å; E239-L255 VanDerWaalsContact CG-CD1 3.48Å; E239-L255 HydrophobicContact CG-CG 3.94Å; C253-L255 VanDerWaalsContact C-N 3.29Å; C253-L255 PolarHBondContact O-N 2.67Å; C253-L255 PolarHBondContact SG-N 3Å; L255-K257 PolarHBondContact O-N 3.47Å; L255-K257 VanDerWaalsContact O-N 3.14Å; L255-L258 PolarHBondContact O-N 3.4Å; L255-V259 PolarHBondContact O-N 3.05Å; L255-V259 VanDerWaalsContact O-N 3.07Å; L255-G260 PolarHBondContact O-N 3.33Å
256	C	80.3	Confident	77	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-55.3	-30.4	175.3	-67.9	0	0	0	0	111	C233 H236 I252 C253 A254 G260 H262	C233-C256 WeakPolarHBondContact CB-SG 3.37Å; C233-C256 WeakPolarHBondContact SG-CB 3.43Å; C233-C256 CovalentContact SG-SG 2.12Å; C233-C256 PolarHBondContact SG-SG 3.3Å; H236-C256 VanDerWaalsContact CE1-SG 3.6Å; H236-C256 PolarHBondContact ND1-SG 3.31Å; I252-C256 HydrophobicContact CB-CB 3.73Å; I252-C256 HydrophobicContact CD1-CB 4.34Å; I252-C256 HydrophobicContact CG2-CB 4.28Å; C253-C256 WeakPolarHBondContact O-CB 3.28Å; C253-C256 PolarHBondContact O-N 3.27Å; C253-C256 PolarHBondContact SG-SG 2.68Å; A254-C256 VanDerWaalsContact C-N 3.32Å; A254-C256 PolarHBondContact O-N 2.65Å; C256-G260 CarbonylContact O-C 3.34Å; C256-G260 WeakPolarHBondContact O-CA 3.44Å; C256-H262 WeakPolarHBondContact O-CB 3.35Å; C256-H262 PolarHBondContact O-N 3.44Å; C256-H262 VanDerWaalsContact O-N 3.12Å
257	K	77.6	Confident	77.2	Confident	56 Å²	56	71.8 Å²	71.8	24%	0.243	36%	0.361	C	S	.	.	H	α-helix	trans	-94.1	-32.5	174.7	178.5	59.9	175.2	175.3	0	114.9	M243 I252 A254 L255 H262 R263 H265 V267	M243-K257 HydrophobicContact CE-CB 3.61Å; M243-K257 HydrophobicContact CE-CG 3.91Å; I252-K257 HydrophobicContact CD1-CB 4.37Å; A254-K257 PolarHBondContact O-N 3.45Å; A254-K257 VanDerWaalsContact O-N 3.12Å; L255-K257 PolarHBondContact O-N 3.47Å; L255-K257 VanDerWaalsContact O-N 3.14Å; K257-H262 WeakPolarHBondContact CD-O 3.49Å; K257-R263 WeakPolarHBondContact CE-O 3.44Å; K257-R263 PolarHBondContact NZ-O 3.03Å; K257-R263 VanDerWaalsContact O-CA 3.25Å; K257-R263 WeakPolarHBondContact O-CA 3.34Å; K257-H265 PolarHBondContact NZ-O 3.27Å; K257-V267 HydrophobicContact CD-CG1 4.01Å; K257-V267 HydrophobicContact CD-CG2 4.01Å; K257-V267 HydrophobicContact CG-CG1 4.5Å; K257-V267 HydrophobicContact CG-CG2 4.07Å
258	L	76.9	Confident	77.3	Confident	119 Å²	119	68.6 Å²	68.6	62%	0.623	34%	0.342	S	S	*	.	H	α-helix	trans	-77.2	-44	-176	-98	117.2	0	0	0	113	A254 L255	A254-L258 HydrophobicContact CB-CD1 4.32Å; A254-L258 WeakPolarHBondContact O-CD1 3.3Å; A254-L258 PolarHBondContact O-N 3.07Å; L255-L258 PolarHBondContact O-N 3.4Å
259	V	74.9	Confident	77.6	Confident	117 Å²	117	67.9 Å²	67.9	71%	0.709	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	-12.8	-171.6	-84.5	0	0	0	0	112.9	L255	L255-V259 PolarHBondContact O-N 3.05Å; L255-V259 VanDerWaalsContact O-N 3.07Å
260	G	75.9	Confident	77.6	Confident	17 Å²	17	66.4 Å²	66.4	18%	0.175	33%	0.334	C	S	.	.	S	Bend	trans	-84	-170.4	179	0	0	0	0	0	114.6	L255 C256 H262 R263	L255-G260 PolarHBondContact O-N 3.33Å; C256-G260 CarbonylContact O-C 3.34Å; C256-G260 WeakPolarHBondContact O-CA 3.44Å; G260-H262 PolarHBondContact O-N 3.14Å; G260-R263 PolarHBondContact O-N 3.17Å
261	R	78.1	Confident	77.5	Confident	196 Å²	196	67.7 Å²	67.7	74%	0.74	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.4	-172.4	-64.9	-170.6	-72.2	-158.6	-0.8	114.6	E235	E235-R261 IonicContact OE1-CZ 3.74Å; E235-R261 IonicContact OE1-NE 2.79Å; E235-R261 PolarHBondContact OE1-NE 2.68Å; E235-R261 IonicContact OE1-NH2 3.84Å; E235-R261 PolarHBondContact OE1-NH2 3.27Å; E235-R261 IonicContact OE2-NE 3.53Å
262	H	78.6	Confident	77.2	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.046	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	17	-179.3	-53.4	-92	0	0	0	112.6	E235 D248 I252 C256 K257 G260 D264 H265	E235-H262 IonicContact OE1-NE2 2.97Å; D248-H262 IonicContact OD2-CE1 3.43Å; D248-H262 PolarHBondContact OD2-CE1 3.45Å; D248-H262 IonicContact OD2-CG 2.82Å; D248-H262 IonicContact OD2-ND1 3.98Å; D248-H262 PolarHBondContact OD2-ND1 3.47Å; I252-H262 HydrophobicContact CD1-CB 4.13Å; C256-H262 WeakPolarHBondContact O-CB 3.35Å; C256-H262 PolarHBondContact O-N 3.44Å; C256-H262 VanDerWaalsContact O-N 3.12Å; K257-H262 WeakPolarHBondContact CD-O 3.49Å; G260-H262 PolarHBondContact O-N 3.14Å; H262-D264 PolarHBondContact O-N 3.3Å; H262-H265 HydrophobicContact CB-CB 4.22Å; H262-H265 AromaticContact ND1-ND1 3.54Å; H262-H265 PolarHBondContact O-N 3.11Å; H262-H265 VanDerWaalsContact O-N 3.07Å
263	R	77.2	Confident	76.8	Confident	162 Å²	162	69.4 Å²	69.4	61%	0.611	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.8	-175.8	-174.7	177	175.6	-171.7	-1.1	113.8	K257 G260	K257-R263 WeakPolarHBondContact CE-O 3.44Å; K257-R263 PolarHBondContact NZ-O 3.03Å; K257-R263 VanDerWaalsContact O-CA 3.25Å; K257-R263 WeakPolarHBondContact O-CA 3.34Å; G260-R263 PolarHBondContact O-N 3.17Å
264	D	75.8	Confident	76.1	Confident	148 Å²	148	74.9 Å²	74.9	79%	0.791	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	1.7	-178.6	-56.5	-46.2	0	0	0	112.8	H262	H262-D264 PolarHBondContact O-N 3.3Å
265	H	82.9	Confident	75.7	Confident	55 Å²	55	77.9 Å²	77.9	26%	0.255	39%	0.391	S	S	.	.	S	Bend	trans	-86.3	149.2	-178.2	-65.2	-176.8	0	0	0	112.5	C245 V247 D248 K257 H262 V267	C245-H265 VanDerWaalsContact SG-CB 3.51Å; V247-H265 HydrophobicContact CB-CB 4.07Å; V247-H265 HydrophobicContact CG2-CB 3.87Å; D248-H265 IonicContact OD1-CE1 3.78Å; D248-H265 PolarHBondContact OD1-CE1 2.9Å; D248-H265 IonicContact OD1-ND1 3.81Å; D248-H265 IonicContact OD2-CE1 2.68Å; D248-H265 PolarHBondContact OD2-CE1 2.96Å; D248-H265 VanDerWaalsContact OD2-CE1 3.28Å; D248-H265 IonicContact OD2-CG 2.71Å; D248-H265 IonicContact OD2-ND1 2.8Å; D248-H265 PolarHBondContact OD2-ND1 3.38Å; K257-H265 PolarHBondContact NZ-O 3.27Å; H262-H265 HydrophobicContact CB-CB 4.22Å; H262-H265 AromaticContact ND1-ND1 3.54Å; H262-H265 PolarHBondContact O-N 3.11Å; H262-H265 VanDerWaalsContact O-N 3.07Å; H265-V267 PolarHBondContact O-N 2.91Å
266	Q	78.4	Confident	75	Confident	135 Å²	135	80.4 Å²	80.4	63%	0.631	40%	0.399	S	S	*	.			trans	-73.7	128.5	176.8	-158.7	-177.1	26.7	0	0	110.3	L246 V247	L246-Q266 HydrophobicContact CB-CB 4.44Å; L246-Q266 HydrophobicContact CD1-CB 4.31Å; L246-Q266 HydrophobicContact CD1-CG 3.89Å; L246-Q266 PolarHBondContact N-O 3.26Å; V247-Q266 HydrophobicContact CG2-CB 4.35Å
267	V	80.7	Confident	74	Confident	37 Å²	37	84 Å²	84	22%	0.224	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.4	-176.1	-58.4	0	0	0	0	110.8	M243 Y244 C245 I252 K257 H265	M243-V267 HydrophobicContact CE-CG2 4.12Å; M243-V267 HydrophobicContact SD-CG2 3.96Å; Y244-V267 CarbonylContact O-C 3.5Å; Y244-V267 VanDerWaalsContact O-CA 3.22Å; Y244-V267 WeakPolarHBondContact O-CA 3.46Å; C245-V267 HydrophobicContact CB-CG1 4.36Å; I252-V267 HydrophobicContact CD1-CB 4.47Å; I252-V267 HydrophobicContact CD1-CG1 3.58Å; K257-V267 HydrophobicContact CD-CG1 4.01Å; K257-V267 HydrophobicContact CD-CG2 4.01Å; K257-V267 HydrophobicContact CG-CG1 4.5Å; K257-V267 HydrophobicContact CG-CG2 4.07Å; H265-V267 PolarHBondContact O-N 2.91Å
268	S	78.3	Confident	73	Confident	20 Å²	20	86.8 Å²	86.8	14%	0.14	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.9	175.6	179.7	0	0	0	0	110.3	M243 Y244	M243-S268 CarbonylContact C-O 3.52Å; M243-S268 WeakPolarHBondContact CA-O 3.49Å; Y244-S268 PolarHBondContact N-O 3.07Å; Y244-S268 PolarHBondContact O-N 2.95Å
269	S	77.8	Confident	72	Confident	56 Å²	56	83.9 Å²	83.9	39%	0.392	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	150.5	168.6	75.1	0	0	0	0	110.4	T271 D272 R273	S269-T271 VanDerWaalsContact C-N 3.34Å; S269-D272 VanDerWaalsContact OG-CB 3.23Å; S269-D272 WeakPolarHBondContact OG-CB 3.44Å; S269-D272 PolarHBondContact OG-N 3.17Å; S269-R273 WeakPolarHBondContact O-CB 3.41Å; S269-R273 PolarHBondContact O-N 3.02Å; S269-R273 VanDerWaalsContact O-N 3.12Å
270	L	71.8	Confident	70.8	Confident	47 Å²	47	87.3 Å²	87.3	25%	0.246	43%	0.425	C	S	.	.	H	α-helix	trans	-65	-38.4	179.1	-61.2	-176.2	0	0	0	112.2	V241 L251 R273 F274	V241-L270 HydrophobicContact CG2-CD1 4.17Å; L251-L270 HydrophobicContact CD2-CD1 4.07Å; L251-L270 HydrophobicContact CD2-CD2 3.22Å; L251-L270 HydrophobicContact CD2-CG 4.28Å; L270-R273 PolarHBondContact O-N 3.32Å; L270-F274 VanDerWaalsContact O-CB 3.22Å; L270-F274 WeakPolarHBondContact O-CB 3.46Å; L270-F274 PolarHBondContact O-N 3.33Å
271	T	69.9	Low	69.4	Low	98 Å²	98	93.1 Å²	93.1	60%	0.601	45%	0.447	S	S	*	.	H	α-helix	trans	-63.6	-49.6	179.8	-43.1	0	0	0	0	111.2	S269 R273 F274 D275	S269-T271 VanDerWaalsContact C-N 3.34Å; T271-R273 VanDerWaalsContact C-N 3.26Å; T271-R273 PolarHBondContact O-N 3.1Å; T271-F274 PolarHBondContact O-N 2.94Å; T271-D275 WeakPolarHBondContact O-CB 3.35Å; T271-D275 PolarHBondContact O-N 2.95Å
272	D	69.6	Low	67.8	Low	70 Å²	70	89.3 Å²	89.3	37%	0.374	45%	0.446	S	S	.	.	H	α-helix	trans	-64.3	-34.9	179	-170	43.7	0	0	0	111.3	S269 K276	S269-D272 VanDerWaalsContact OG-CB 3.23Å; S269-D272 WeakPolarHBondContact OG-CB 3.44Å; S269-D272 PolarHBondContact OG-N 3.17Å; D272-K276 WeakPolarHBondContact O-CB 3.4Å; D272-K276 WeakPolarHBondContact O-CD 3.36Å; D272-K276 WeakPolarHBondContact O-CG 3.46Å; D272-K276 PolarHBondContact O-N 2.98Å; D272-K276 WeakPolarHBondContact OD1-CE 3.3Å; D272-K276 IonicContact OD1-NZ 3.36Å; D272-K276 WeakPolarHBondContact OD2-CE 3.46Å; D272-K276 IonicContact OD2-NZ 3.53Å; D272-K276 PolarHBondContact OD2-NZ 3.18Å
273	R	70.4	Confident	66	Low	23 Å²	23	93 Å²	93	9%	0.087	47%	0.473	C	S	.	.	H	α-helix	trans	-72	-38.8	175.7	-176.7	54.7	177.9	-70.9	-28.8	113	Y244 S269 L270 T271 L277	Y244-R273 VanDerWaalsContact CE1-NH2 3.3Å; Y244-R273 PolarHBondContact OH-NH2 3.22Å; S269-R273 WeakPolarHBondContact O-CB 3.41Å; S269-R273 PolarHBondContact O-N 3.02Å; S269-R273 VanDerWaalsContact O-N 3.12Å; L270-R273 PolarHBondContact O-N 3.32Å; T271-R273 VanDerWaalsContact C-N 3.26Å; T271-R273 PolarHBondContact O-N 3.1Å; R273-L277 HydrophobicContact CG-CD1 4.12Å; R273-L277 WeakPolarHBondContact O-CB 3.1Å; R273-L277 WeakPolarHBondContact O-CD1 3.1Å; R273-L277 WeakPolarHBondContact O-CG 3.43Å; R273-L277 PolarHBondContact O-N 3.35Å
274	F	66.6	Low	64.4	Low	116 Å²	116	92.1 Å²	92.1	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-66	-47.1	175.9	176.6	-94.3	0	0	0	111.1	L270 T271 K276 L277 K278	L270-F274 VanDerWaalsContact O-CB 3.22Å; L270-F274 WeakPolarHBondContact O-CB 3.46Å; L270-F274 PolarHBondContact O-N 3.33Å; T271-F274 PolarHBondContact O-N 2.94Å; F274-K276 VanDerWaalsContact C-N 3.34Å; F274-K276 PolarHBondContact O-N 3.42Å; F274-L277 PolarHBondContact O-N 3.26Å; F274-K278 HydrophobicContact CE1-CD 3.82Å; F274-K278 HydrophobicContact CZ-CD 3.88Å; F274-K278 WeakPolarHBondContact O-CB 3.28Å; F274-K278 PolarHBondContact O-N 3.49Å
275	D	68.6	Low	63	Low	91 Å²	91	87.9 Å²	87.9	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-63.8	-40	178.9	-69.8	-26.3	0	0	0	111	T271 K278 A279	T271-D275 WeakPolarHBondContact O-CB 3.35Å; T271-D275 PolarHBondContact O-N 2.95Å; D275-K278 PolarHBondContact O-N 3.05Å; D275-A279 WeakPolarHBondContact O-CB 3.35Å; D275-A279 PolarHBondContact O-N 3.25Å
276	K	64.9	Low	61.1	Low	116 Å²	116	97.3 Å²	97.3	50%	0.504	51%	0.513	S	S	.	.	H	α-helix	trans	-64.1	-42.9	172.5	-75.4	169.3	-178.9	165.3	0	112.9	D272 F274 K278 Y280	D272-K276 WeakPolarHBondContact O-CB 3.4Å; D272-K276 WeakPolarHBondContact O-CD 3.36Å; D272-K276 WeakPolarHBondContact O-CG 3.46Å; D272-K276 PolarHBondContact O-N 2.98Å; D272-K276 WeakPolarHBondContact OD1-CE 3.3Å; D272-K276 IonicContact OD1-NZ 3.36Å; D272-K276 WeakPolarHBondContact OD2-CE 3.46Å; D272-K276 IonicContact OD2-NZ 3.53Å; D272-K276 PolarHBondContact OD2-NZ 3.18Å; F274-K276 VanDerWaalsContact C-N 3.34Å; F274-K276 PolarHBondContact O-N 3.42Å; K276-K278 VanDerWaalsContact C-N 3.33Å; K276-K278 PolarHBondContact O-N 3.45Å; K276-Y280 WeakPolarHBondContact O-CD2 3.32Å
277	L	60.2	Low	59.6	Low	76 Å²	76	98.1 Å²	98.1	40%	0.398	53%	0.526	S	S	.	.	H	α-helix	trans	-66.2	-34.4	177.5	-80.3	165.5	0	0	0	112.7	R273 F274 K296	R273-L277 HydrophobicContact CG-CD1 4.12Å; R273-L277 WeakPolarHBondContact O-CB 3.1Å; R273-L277 WeakPolarHBondContact O-CD1 3.1Å; R273-L277 WeakPolarHBondContact O-CG 3.43Å; R273-L277 PolarHBondContact O-N 3.35Å; F274-L277 PolarHBondContact O-N 3.26Å; L277-K296 HydrophobicContact CD2-CB 4.22Å; L277-K296 WeakPolarHBondContact CD2-O 3.35Å
278	K	56.2	Low	57.7	Low	114 Å²	114	101.2 Å²	101.2	50%	0.496	55%	0.55	S	S	.	.	H	α-helix	trans	-84.9	-32.6	-179.7	-159.8	176.8	-177.1	-175.3	0	112.8	F274 D275 K276 Y280 Q281	F274-K278 HydrophobicContact CE1-CD 3.82Å; F274-K278 HydrophobicContact CZ-CD 3.88Å; F274-K278 WeakPolarHBondContact O-CB 3.28Å; F274-K278 PolarHBondContact O-N 3.49Å; D275-K278 PolarHBondContact O-N 3.05Å; K276-K278 VanDerWaalsContact C-N 3.33Å; K276-K278 PolarHBondContact O-N 3.45Å; K278-Y280 VanDerWaalsContact C-N 3.26Å; K278-Y280 PolarHBondContact O-N 3.43Å; K278-Q281 WeakPolarHBondContact O-CB 3.44Å; K278-Q281 PolarHBondContact O-N 3.1Å
279	A	54.9	Low	55.8	Low	57 Å²	57	107.7 Å²	107.7	47%	0.471	58%	0.583	S	S	.	*	H	α-helix	trans	-63.3	-31.2	177.1	0	0	0	0	0	112.7	D275 Q281 V282	D275-A279 WeakPolarHBondContact O-CB 3.35Å; D275-A279 PolarHBondContact O-N 3.25Å; A279-Q281 PolarHBondContact O-N 3.35Å; A279-V282 PolarHBondContact O-N 3.47Å
280	Y	49.4	Very low	54	Low	190 Å²	190	109.8 Å²	109.8	75%	0.745	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-13	171.6	-92.4	-83.1	0	0	0	114.2	K276 K278	K276-Y280 WeakPolarHBondContact O-CD2 3.32Å; K278-Y280 VanDerWaalsContact C-N 3.26Å; K278-Y280 PolarHBondContact O-N 3.43Å
281	Q	47.7	Very low	52.7	Low	138 Å²	138	114.7 Å²	114.7	65%	0.645	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-9.9	175.9	-69.4	-177.8	-22.1	0	0	113.9	K278 A279	K278-Q281 WeakPolarHBondContact O-CB 3.44Å; K278-Q281 PolarHBondContact O-N 3.1Å; A279-Q281 PolarHBondContact O-N 3.35Å
282	V	44.8	Very low	51.5	Low	117 Å²	117	117.8 Å²	117.8	71%	0.709	65%	0.645	S	S	*	*	S	Bend	trans	-113.4	-1.1	-166.3	-171.7	0	0	0	0	114.5	A279	A279-V282 PolarHBondContact O-N 3.47Å
283	S	39	Very low	50.3	Low	88 Å²	88	120.1 Å²	120.1	62%	0.615	65%	0.654	S	S	*	*			trans	-142.5	110.4	178.6	45.2	0	0	0	0	114.4	G285	S283-G285 PolarHBondContact O-N 2.95Å
284	P	45.3	Very low	49.1	Very low	142 Å²	142	123.4 Å²	123.4	92%	0.922	69%	0.686	S	S	*	*			trans	-87.5	81.3	169.6	33.6	-27.3	0	0	0	108.3
285	G	44.4	Very low	47.9	Very low	60 Å²	60	121.7 Å²	121.7	62%	0.619	69%	0.688	S	S	*	*			trans	-176.9	104	-179.5	0	0	0	0	0	115.5	S283	S283-G285 PolarHBondContact O-N 2.95Å
286	R	44.2	Very low	46.9	Very low	252 Å²	252	118.4 Å²	118.4	95%	0.951	67%	0.669	S	S	*	*			trans	82.4	98	168	-61.2	-177.6	170.9	173.6	-2.7	115.9
287	V	45.9	Very low	46.3	Very low	152 Å²	152	116.5 Å²	116.5	92%	0.921	67%	0.667	S	S	*	*			trans	-88	124	165.2	-156.9	0	0	0	0	107.5
288	S	41.1	Very low	46.1	Very low	102 Å²	102	115.5 Å²	115.5	71%	0.713	67%	0.667	S	S	*	*			trans	-149.6	113.6	157.8	54.7	0	0	0	0	110.4
289	D	39.8	Very low	46.1	Very low	156 Å²	156	113.4 Å²	113.4	83%	0.834	67%	0.671	S	S	*	*			trans	52.6	97.9	151.5	-54.6	-21.5	0	0	0	120.3
290	A	38.8	Very low	46.5	Very low	100 Å²	100	112.7 Å²	112.7	83%	0.826	67%	0.665	S	S	*	*				-164.5	119.4	125.6	0	0	0	0	0	109.8	M292	A290-M292 PolarHBondContact O-N 3.45Å
291	V	45.7	Very low	47.2	Very low	151 Å²	151	108.3 Å²	108.3	92%	0.915	65%	0.651	S	S	*	*			trans	-65.6	108.5	166.5	172.7	0	0	0	0	108.1
292	M	44.9	Very low	48.3	Very low	163 Å²	163	105.1 Å²	105.1	80%	0.803	64%	0.641	S	S	*	*			trans	162.9	73	138.5	-168.2	-177.5	-57.2	0	0	110.5	A290	A290-M292 PolarHBondContact O-N 3.45Å
293	E	44.3	Very low	49.6	Very low	119 Å²	119	105.5 Å²	105.5	56%	0.556	64%	0.638	S	S	*	*			trans	-160.5	35.2	161.4	-141.3	90.8	-144.4	0	0	112.9	S295 K296	E293-S295 PolarHBondContact O-N 3.43Å; E293-S295 VanDerWaalsContact O-N 3.17Å; E293-K296 HydrophobicContact CG-CD 4.02Å; E293-K296 IonicContact OE1-NZ 3.67Å; E293-K296 PolarHBondContact OE1-NZ 3.49Å
294	A	44.3	Very low	51.3	Low	92 Å²	92	106.6 Å²	106.6	76%	0.76	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-7.1	-175.8	0	0	0	0	0	115.1
295	S	41.6	Very low	52.8	Low	79 Å²	79	103.5 Å²	103.5	55%	0.552	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-22.7	-177.6	-147	0	0	0	0	113.4	E293 S298	E293-S295 PolarHBondContact O-N 3.43Å; E293-S295 VanDerWaalsContact O-N 3.17Å; S295-S298 PolarHBondContact O-OG 3.06Å
296	K	47.4	Very low	54.4	Low	23 Å²	23	105.1 Å²	105.1	10%	0.1	60%	0.604	C	S	.	*	T	Hydrogen-bonded Turn	trans	-108.7	-15.6	-162.3	-70.2	153.9	178.3	176.8	0	115.5	D249 L277 E293 S298	D249-K296 WeakPolarHBondContact OD1-CE 3.43Å; L277-K296 HydrophobicContact CD2-CB 4.22Å; L277-K296 WeakPolarHBondContact CD2-O 3.35Å; E293-K296 HydrophobicContact CG-CD 4.02Å; E293-K296 IonicContact OE1-NZ 3.67Å; E293-K296 PolarHBondContact OE1-NZ 3.49Å; K296-S298 VanDerWaalsContact C-N 3.26Å
297	T	52	Low	56.2	Low	75 Å²	75	98.1 Å²	98.1	46%	0.46	59%	0.585	S	S	.	*	S	Bend	trans	-75.9	-16.3	162.3	42.6	0	0	0	0	112.1	Q301	T297-Q301 WeakPolarHBondContact O-CB 3.42Å; T297-Q301 PolarHBondContact O-N 2.87Å
298	S	57.3	Low	57.9	Low	56 Å²	56	94.6 Å²	94.6	39%	0.392	56%	0.564	S	S	.	*	H	α-helix	trans	-66.7	-41.8	-174.4	75.2	0	0	0	0	113.7	S295 K296 T302	S295-S298 PolarHBondContact O-OG 3.06Å; K296-S298 VanDerWaalsContact C-N 3.26Å; S298-T302 WeakPolarHBondContact O-CA 3.02Å; S298-T302 WeakPolarHBondContact O-CB 3.37Å; S298-T302 PolarHBondContact O-N 2.9Å; S298-T302 PolarHBondContact O-OG1 3.15Å
299	A	56.2	Low	59.9	Low	70 Å²	70	93.7 Å²	93.7	58%	0.579	55%	0.551	S	S	*	*	H	α-helix	trans	-72.5	-44.5	-173.8	0	0	0	0	0	112.7	T302 L303	A299-T302 PolarHBondContact O-N 3.41Å; A299-L303 WeakPolarHBondContact O-CB 3.19Å; A299-L303 PolarHBondContact O-N 3.27Å
300	A	61.5	Low	62.1	Low	42 Å²	42	90.9 Å²	90.9	35%	0.347	54%	0.536	S	S	.	.	H	α-helix	trans	-64.8	-43.4	175.3	0	0	0	0	0	111.3	T302 L303 E304	A300-T302 PolarHBondContact O-N 3.48Å; A300-L303 PolarHBondContact O-N 3.44Å; A300-E304 PolarHBondContact O-N 2.99Å
301	Q	65.5	Low	64.5	Low	98 Å²	98	90.4 Å²	90.4	46%	0.458	52%	0.522	S	S	.	.	H	α-helix	trans	-64.7	-38.6	175	-167.4	69.9	50	0	0	112.2	T297 E304 N305	T297-Q301 WeakPolarHBondContact O-CB 3.42Å; T297-Q301 PolarHBondContact O-N 2.87Å; Q301-E304 PolarHBondContact O-N 3.19Å; Q301-N305 PolarHBondContact NE2-OD1 2.89Å; Q301-N305 VanDerWaalsContact O-CB 3.3Å; Q301-N305 WeakPolarHBondContact O-CB 3.25Å; Q301-N305 PolarHBondContact O-N 3.16Å; Q301-N305 PolarHBondContact O-ND2 3.32Å; Q301-N305 PolarHBondContact O-OD1 2.77Å
302	T	71.1	Confident	66.6	Low	70 Å²	70	90.6 Å²	90.6	43%	0.429	51%	0.511	S	S	.	.	H	α-helix	trans	-65.9	-40.4	176.4	-63.7	0	0	0	0	110.8	S298 A299 A300 N306	S298-T302 WeakPolarHBondContact O-CA 3.02Å; S298-T302 WeakPolarHBondContact O-CB 3.37Å; S298-T302 PolarHBondContact O-N 2.9Å; S298-T302 PolarHBondContact O-OG1 3.15Å; A299-T302 PolarHBondContact O-N 3.41Å; A300-T302 PolarHBondContact O-N 3.48Å; T302-N306 WeakPolarHBondContact CG2-ND2 3.36Å; T302-N306 VanDerWaalsContact O-CB 3.29Å; T302-N306 WeakPolarHBondContact O-CB 3.42Å; T302-N306 PolarHBondContact O-N 3.12Å; T302-N306 PolarHBondContact O-ND2 3.21Å; T302-N306 VanDerWaalsContact O-ND2 3.11Å
303	L	71.8	Confident	68.5	Low	125 Å²	125	91 Å²	91	65%	0.654	50%	0.504	S	S	*	.	H	α-helix	trans	-64.2	-44.8	175.2	-176.7	62.3	0	0	0	111.5	A299 A300 N306 L307	A299-L303 WeakPolarHBondContact O-CB 3.19Å; A299-L303 PolarHBondContact O-N 3.27Å; A300-L303 PolarHBondContact O-N 3.44Å; L303-N306 PolarHBondContact O-N 3.22Å; L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 PolarHBondContact O-N 2.84Å
304	E	74.4	Confident	70.5	Confident	112 Å²	112	89.4 Å²	89.4	52%	0.523	50%	0.498	S	S	.	.	H	α-helix	trans	-64	-42.3	177.1	-171.5	173.1	-168.8	0	0	112.3	A300 Q301 L307 T308	A300-E304 PolarHBondContact O-N 2.99Å; Q301-E304 PolarHBondContact O-N 3.19Å; E304-L307 PolarHBondContact O-N 2.86Å; E304-T308 WeakPolarHBondContact O-CG2 3.46Å; E304-T308 PolarHBondContact O-N 3.24Å; E304-T308 PolarHBondContact O-OG1 3.04Å
305	N	75.8	Confident	72.8	Confident	76 Å²	76	87.3 Å²	87.3	41%	0.406	48%	0.478	S	S	.	.	H	α-helix	trans	-64.3	-40.6	174.3	-70.8	-11	0	0	0	111.9	Q301 T308 N309	Q301-N305 PolarHBondContact NE2-OD1 2.89Å; Q301-N305 VanDerWaalsContact O-CB 3.3Å; Q301-N305 WeakPolarHBondContact O-CB 3.25Å; Q301-N305 PolarHBondContact O-N 3.16Å; Q301-N305 PolarHBondContact O-ND2 3.32Å; Q301-N305 PolarHBondContact O-OD1 2.77Å; N305-T308 WeakPolarHBondContact CA-OG1 3.25Å; N305-T308 PolarHBondContact O-OG1 3.44Å; N305-N309 VanDerWaalsContact O-CB 3.32Å; N305-N309 WeakPolarHBondContact O-CB 3.27Å; N305-N309 PolarHBondContact O-N 3.19Å; N305-N309 PolarHBondContact O-ND2 3.29Å
306	N	78.6	Confident	75.1	Confident	95 Å²	95	87.8 Å²	87.8	51%	0.508	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-39	176.4	-74.7	-30	0	0	0	111.8	T302 L303 N309 L310	T302-N306 WeakPolarHBondContact CG2-ND2 3.36Å; T302-N306 VanDerWaalsContact O-CB 3.29Å; T302-N306 WeakPolarHBondContact O-CB 3.42Å; T302-N306 PolarHBondContact O-N 3.12Å; T302-N306 PolarHBondContact O-ND2 3.21Å; T302-N306 VanDerWaalsContact O-ND2 3.11Å; L303-N306 PolarHBondContact O-N 3.22Å; N306-N309 PolarHBondContact O-N 3.32Å; N306-L310 WeakPolarHBondContact O-CB 3.42Å; N306-L310 PolarHBondContact O-N 3.44Å
307	L	81.4	Confident	77.1	Confident	104 Å²	104	91.5 Å²	91.5	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-64.8	-47.8	177.1	-177.6	62.9	0	0	0	111.4	L303 E304 N309 L310 V311	L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 PolarHBondContact O-N 2.84Å; E304-L307 PolarHBondContact O-N 2.86Å; L307-N309 VanDerWaalsContact C-N 3.33Å; L307-N309 PolarHBondContact O-N 2.87Å; L307-L310 PolarHBondContact O-N 3.08Å; L307-L310 VanDerWaalsContact O-N 3.14Å; L307-V311 WeakPolarHBondContact O-CG2 3.02Å; L307-V311 PolarHBondContact O-N 2.72Å
308	T	82.2	Confident	78.9	Confident	78 Å²	78	94.3 Å²	94.3	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-40.4	176	45.7	0	0	0	0	112	E304 N305 L310 V311 K312	E304-T308 WeakPolarHBondContact O-CG2 3.46Å; E304-T308 PolarHBondContact O-N 3.24Å; E304-T308 PolarHBondContact O-OG1 3.04Å; N305-T308 WeakPolarHBondContact CA-OG1 3.25Å; N305-T308 PolarHBondContact O-OG1 3.44Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-L310 PolarHBondContact O-N 2.71Å; T308-V311 PolarHBondContact O-N 3.1Å; T308-K312 WeakPolarHBondContact O-CB 3.37Å; T308-K312 PolarHBondContact O-N 3.38Å
309	N	84.2	Confident	80.5	Confident	83 Å²	83	96 Å²	96	44%	0.444	51%	0.505	S	S	.	.	H	α-helix	trans	-62.5	-38.8	173.1	-77.4	-35.4	0	0	0	112.8	N305 N306 L307 R313	N305-N309 VanDerWaalsContact O-CB 3.32Å; N305-N309 WeakPolarHBondContact O-CB 3.27Å; N305-N309 PolarHBondContact O-N 3.19Å; N305-N309 PolarHBondContact O-ND2 3.29Å; N306-N309 PolarHBondContact O-N 3.32Å; L307-N309 VanDerWaalsContact C-N 3.33Å; L307-N309 PolarHBondContact O-N 2.87Å; N309-R313 WeakPolarHBondContact O-CG 3.48Å; N309-R313 PolarHBondContact O-N 2.7Å
310	L	85.6	Confident	82	Confident	98 Å²	98	96.9 Å²	96.9	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-68.8	-44.4	177.4	-173	64.6	0	0	0	111.4	N306 L307 T308 K312 R313 N314	N306-L310 WeakPolarHBondContact O-CB 3.42Å; N306-L310 PolarHBondContact O-N 3.44Å; L307-L310 PolarHBondContact O-N 3.08Å; L307-L310 VanDerWaalsContact O-N 3.14Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-L310 PolarHBondContact O-N 2.71Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 2.9Å; L310-R313 PolarHBondContact O-N 2.76Å; L310-R313 VanDerWaalsContact O-N 3.12Å; L310-N314 PolarHBondContact O-N 3.07Å
311	V	89.4	Confident	83.5	Confident	90 Å²	90	100.7 Å²	100.7	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-57.8	-44.1	174.4	171.1	0	0	0	0	110.8	L307 T308 R313 N314 S315	L307-V311 WeakPolarHBondContact O-CG2 3.02Å; L307-V311 PolarHBondContact O-N 2.72Å; T308-V311 PolarHBondContact O-N 3.1Å; V311-R313 PolarHBondContact O-N 3.04Å; V311-N314 PolarHBondContact O-N 3.44Å; V311-S315 PolarHBondContact O-N 3.35Å; V311-S315 PolarHBondContact O-OG 2.92Å
312	K	88.6	Confident	84.8	Confident	154 Å²	154	98.6 Å²	98.6	67%	0.67	51%	0.509	S	S	*	.	H	α-helix	trans	-63.8	-37.5	175.9	-173.8	179.1	179.8	-179.8	0	112.9	T308 L310 S315 E316	T308-K312 WeakPolarHBondContact O-CB 3.37Å; T308-K312 PolarHBondContact O-N 3.38Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 2.9Å; K312-S315 PolarHBondContact O-OG 3.21Å; K312-E316 PolarHBondContact O-N 3.01Å; K312-E316 VanDerWaalsContact O-N 3.14Å
313	R	84.6	Confident	85.7	Confident	173 Å²	173	101.1 Å²	101.1	65%	0.653	51%	0.514	S	S	*	.	H	α-helix	trans	-68.9	-38.5	174.6	-78.6	-159.3	173.5	98.2	0.1	112.1	N309 L310 V311 E316 L317	N309-R313 WeakPolarHBondContact O-CG 3.48Å; N309-R313 PolarHBondContact O-N 2.7Å; L310-R313 PolarHBondContact O-N 2.76Å; L310-R313 VanDerWaalsContact O-N 3.12Å; V311-R313 PolarHBondContact O-N 3.04Å; R313-E316 PolarHBondContact O-N 3.01Å; R313-L317 WeakPolarHBondContact O-CG 3.35Å; R313-L317 PolarHBondContact O-N 3.33Å
314	N	87.4	Confident	86.6	Confident	84 Å²	84	100.5 Å²	100.5	45%	0.449	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-43.6	175.7	-80.6	5.7	0	0	0	111.6	L310 V311 E316 L317 E318	L310-N314 PolarHBondContact O-N 3.07Å; V311-N314 PolarHBondContact O-N 3.44Å; N314-E316 VanDerWaalsContact C-N 3.32Å; N314-E316 PolarHBondContact O-N 3.28Å; N314-L317 WeakPolarHBondContact O-CB 3.36Å; N314-L317 PolarHBondContact O-N 3.32Å; N314-L317 VanDerWaalsContact O-N 3.15Å; N314-E318 WeakPolarHBondContact O-CG 3.36Å; N314-E318 PolarHBondContact O-N 3.35Å
315	S	91.3	Very high	87.5	Confident	48 Å²	48	99 Å²	99	34%	0.336	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-34	176.6	64.3	0	0	0	0	113	V311 K312 E318 N319	V311-S315 PolarHBondContact O-N 3.35Å; V311-S315 PolarHBondContact O-OG 2.92Å; K312-S315 PolarHBondContact O-OG 3.21Å; S315-E318 PolarHBondContact O-N 3.49Å; S315-N319 VanDerWaalsContact O-CG 3.29Å; S315-N319 PolarHBondContact O-N 3.06Å; S315-N319 PolarHBondContact O-ND2 2.71Å
316	E	90.1	Very high	88.3	Confident	89 Å²	89	101.3 Å²	101.3	42%	0.416	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-41.2	171.2	-178.6	58.7	-152.3	0	0	111.8	K312 R313 N314 N319 Q320	K312-E316 PolarHBondContact O-N 3.01Å; K312-E316 VanDerWaalsContact O-N 3.14Å; R313-E316 PolarHBondContact O-N 3.01Å; N314-E316 VanDerWaalsContact C-N 3.32Å; N314-E316 PolarHBondContact O-N 3.28Å; E316-N319 PolarHBondContact O-N 3.08Å; E316-Q320 WeakPolarHBondContact O-CG 3.1Å; E316-Q320 PolarHBondContact O-N 3.44Å; E316-Q320 PolarHBondContact OE1-NE2 3.01Å; E316-Q320 VanDerWaalsContact OE1-NE2 3.16Å
317	L	89.8	Confident	88.8	Confident	101 Å²	101	101.5 Å²	101.5	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-64.7	-40.9	175	-72.7	172.6	0	0	0	112.1	R313 N314 N319 Q320 M321	R313-L317 WeakPolarHBondContact O-CG 3.35Å; R313-L317 PolarHBondContact O-N 3.33Å; N314-L317 WeakPolarHBondContact O-CB 3.36Å; N314-L317 PolarHBondContact O-N 3.32Å; N314-L317 VanDerWaalsContact O-N 3.15Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 3.38Å; L317-Q320 PolarHBondContact O-N 3.06Å; L317-M321 WeakPolarHBondContact O-CB 3.42Å; L317-M321 PolarHBondContact O-N 2.49Å
318	E	89.9	Confident	89.3	Confident	134 Å²	134	100 Å²	100	63%	0.626	51%	0.511	S	S	*	.	H	α-helix	trans	-60.3	-43	173.7	-72.5	172.4	168.6	0	0	111.2	N314 S315 M321 A322	N314-E318 WeakPolarHBondContact O-CG 3.36Å; N314-E318 PolarHBondContact O-N 3.35Å; S315-E318 PolarHBondContact O-N 3.49Å; E318-M321 PolarHBondContact O-N 3.27Å; E318-A322 WeakPolarHBondContact O-CB 3.45Å; E318-A322 PolarHBondContact O-N 3.15Å
319	N	91.5	Very high	89.8	Confident	91 Å²	91	101.6 Å²	101.6	49%	0.487	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-40.3	174.9	-73.8	-29.9	0	0	0	112.4	S315 E316 L317 A322 K323	S315-N319 VanDerWaalsContact O-CG 3.29Å; S315-N319 PolarHBondContact O-N 3.06Å; S315-N319 PolarHBondContact O-ND2 2.71Å; E316-N319 PolarHBondContact O-N 3.08Å; L317-N319 VanDerWaalsContact C-N 3.33Å; L317-N319 PolarHBondContact O-N 3.38Å; N319-A322 PolarHBondContact O-N 3.26Å; N319-K323 WeakPolarHBondContact O-CG 3.34Å; N319-K323 PolarHBondContact O-N 3.14Å
320	Q	88.5	Confident	90	Very high	90 Å²	90	102.3 Å²	102.3	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-65.7	-41.4	175.3	-73.4	178.8	8.8	0	0	111.5	E316 L317 K323 L324	E316-Q320 WeakPolarHBondContact O-CG 3.1Å; E316-Q320 PolarHBondContact O-N 3.44Å; E316-Q320 PolarHBondContact OE1-NE2 3.01Å; E316-Q320 VanDerWaalsContact OE1-NE2 3.16Å; L317-Q320 PolarHBondContact O-N 3.06Å; Q320-K323 PolarHBondContact O-N 2.79Å; Q320-L324 WeakPolarHBondContact O-CG 3.44Å; Q320-L324 PolarHBondContact O-N 2.7Å
321	M	91.6	Very high	90.1	Very high	121 Å²	121	101.5 Å²	101.5	60%	0.596	51%	0.513	S	S	*	.	H	α-helix	trans	-61.8	-43.9	174.8	-176.5	175.5	178.5	0	0	111.4	L317 E318 K323 L324 I325	L317-M321 WeakPolarHBondContact O-CB 3.42Å; L317-M321 PolarHBondContact O-N 2.49Å; E318-M321 PolarHBondContact O-N 3.27Å; M321-K323 VanDerWaalsContact C-N 3.34Å; M321-K323 PolarHBondContact O-N 3.01Å; M321-L324 PolarHBondContact O-N 3.02Å; M321-I325 HydrophobicContact CE-CD1 4.26Å; M321-I325 HydrophobicContact CG-CD1 4.08Å; M321-I325 WeakPolarHBondContact O-CG1 3.15Å; M321-I325 PolarHBondContact O-N 3Å
322	A	92.8	Very high	90.1	Very high	55 Å²	55	103.6 Å²	103.6	46%	0.455	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-42.4	175.6	0	0	0	0	0	112.2	E318 N319 I325 Q326	E318-A322 WeakPolarHBondContact O-CB 3.45Å; E318-A322 PolarHBondContact O-N 3.15Å; N319-A322 PolarHBondContact O-N 3.26Å; A322-I325 PolarHBondContact O-N 2.98Å; A322-Q326 PolarHBondContact O-N 2.75Å
323	K	90.8	Very high	90.3	Very high	123 Å²	123	100.7 Å²	100.7	54%	0.535	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-42.6	174	-72.3	172	-176.9	173.4	0	112.1	N319 Q320 M321 Q326 I327	N319-K323 WeakPolarHBondContact O-CG 3.34Å; N319-K323 PolarHBondContact O-N 3.14Å; Q320-K323 PolarHBondContact O-N 2.79Å; M321-K323 VanDerWaalsContact C-N 3.34Å; M321-K323 PolarHBondContact O-N 3.01Å; K323-Q326 PolarHBondContact O-N 3.27Å; K323-I327 VanDerWaalsContact O-CG1 3.29Å; K323-I327 WeakPolarHBondContact O-CG1 3.24Å; K323-I327 PolarHBondContact O-N 3.3Å
324	L	90.8	Very high	90.2	Very high	111 Å²	111	95.3 Å²	95.3	58%	0.581	50%	0.496	S	S	*	.	H	α-helix	trans	-63.5	-43.6	177.2	-72.3	172.8	0	0	0	111.5	Q320 M321 Q326 I327 C328	Q320-L324 WeakPolarHBondContact O-CG 3.44Å; Q320-L324 PolarHBondContact O-N 2.7Å; M321-L324 PolarHBondContact O-N 3.02Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 3.27Å; L324-I327 PolarHBondContact O-N 3.12Å; L324-C328 PolarHBondContact O-N 3.12Å; L324-C328 PolarHBondContact O-SG 2.87Å
325	I	93.6	Very high	90	Very high	81 Å²	81	94.6 Å²	94.6	42%	0.415	49%	0.494	S	S	.	.	H	α-helix	trans	-59.8	-43.9	175.3	-68.1	165.9	0	0	0	110.7	M321 A322 I327 C328 Q329	M321-I325 HydrophobicContact CE-CD1 4.26Å; M321-I325 HydrophobicContact CG-CD1 4.08Å; M321-I325 WeakPolarHBondContact O-CG1 3.15Å; M321-I325 PolarHBondContact O-N 3Å; A322-I325 PolarHBondContact O-N 2.98Å; I325-I327 PolarHBondContact O-N 3.39Å; I325-C328 PolarHBondContact O-N 2.81Å; I325-Q329 WeakPolarHBondContact O-CG 3.27Å; I325-Q329 PolarHBondContact O-N 3.42Å
326	Q	91	Very high	89.9	Confident	125 Å²	125	94.8 Å²	94.8	58%	0.584	50%	0.499	S	S	*	.	H	α-helix	trans	-62.4	-42.1	176.8	-174.1	-177.5	1.3	0	0	112	A322 K323 L324 Q329 Q330	A322-Q326 PolarHBondContact O-N 2.75Å; K323-Q326 PolarHBondContact O-N 3.27Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 3.27Å; Q326-Q329 PolarHBondContact O-N 2.91Å; Q326-Q330 WeakPolarHBondContact O-CB 3.29Å; Q326-Q330 PolarHBondContact O-N 3.07Å
327	I	90.8	Very high	89.8	Confident	99 Å²	99	95.9 Å²	95.9	51%	0.508	51%	0.505	S	S	.	.	H	α-helix	trans	-62.4	-43.9	175.6	-69.5	164.9	0	0	0	110.3	K323 L324 I325 Q330 V331	K323-I327 VanDerWaalsContact O-CG1 3.29Å; K323-I327 WeakPolarHBondContact O-CG1 3.24Å; K323-I327 PolarHBondContact O-N 3.3Å; L324-I327 PolarHBondContact O-N 3.12Å; I325-I327 PolarHBondContact O-N 3.39Å; I327-Q330 PolarHBondContact O-N 2.88Å; I327-V331 HydrophobicContact CG2-CG2 4.45Å; I327-V331 WeakPolarHBondContact O-CG2 3.37Å; I327-V331 PolarHBondContact O-N 2.98Å
328	C	91.7	Very high	89.4	Confident	72 Å²	72	96.7 Å²	96.7	49%	0.486	51%	0.506	S	S	.	.	H	α-helix	trans	-58.8	-48.8	176	-68.2	0	0	0	0	111.7	L324 I325 Q330 V331 E332	L324-C328 PolarHBondContact O-N 3.12Å; L324-C328 PolarHBondContact O-SG 2.87Å; I325-C328 PolarHBondContact O-N 2.81Å; C328-Q330 VanDerWaalsContact C-N 3.3Å; C328-Q330 PolarHBondContact O-N 2.89Å; C328-V331 PolarHBondContact O-N 2.95Å; C328-V331 VanDerWaalsContact O-N 3.16Å; C328-E332 WeakPolarHBondContact O-CG 3.42Å; C328-E332 PolarHBondContact O-N 3.28Å
329	Q	92.8	Very high	89.2	Confident	112 Å²	112	96.3 Å²	96.3	52%	0.523	50%	0.504	S	S	.	.	H	α-helix	trans	-60.1	-40	176.8	-71.9	174.6	-11.1	0	0	112.1	I325 Q326 E332 V333	I325-Q329 WeakPolarHBondContact O-CG 3.27Å; I325-Q329 PolarHBondContact O-N 3.42Å; Q326-Q329 PolarHBondContact O-N 2.91Å; Q329-E332 PolarHBondContact O-N 3.18Å; Q329-V333 WeakPolarHBondContact O-CG2 3.36Å; Q329-V333 PolarHBondContact O-N 2.92Å
330	Q	87.8	Confident	89.1	Confident	98 Å²	98	94.9 Å²	94.9	46%	0.458	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-39.6	176.9	-170.9	64.4	59.1	0	0	111.8	Q326 I327 C328 N334	Q326-Q330 WeakPolarHBondContact O-CB 3.29Å; Q326-Q330 PolarHBondContact O-N 3.07Å; I327-Q330 PolarHBondContact O-N 2.88Å; C328-Q330 VanDerWaalsContact C-N 3.3Å; C328-Q330 PolarHBondContact O-N 2.89Å; Q330-N334 PolarHBondContact NE2-OD1 2.85Å; Q330-N334 VanDerWaalsContact O-CB 3.24Å; Q330-N334 WeakPolarHBondContact O-CB 3.42Å; Q330-N334 PolarHBondContact O-N 3.14Å; Q330-N334 PolarHBondContact O-ND2 3.18Å; Q330-N334 PolarHBondContact O-OD1 2.8Å
331	V	87.1	Confident	89	Confident	81 Å²	81	94.9 Å²	94.9	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-43.1	175.5	170.2	0	0	0	0	110.6	I327 C328 N334 T335	I327-V331 HydrophobicContact CG2-CG2 4.45Å; I327-V331 WeakPolarHBondContact O-CG2 3.37Å; I327-V331 PolarHBondContact O-N 2.98Å; C328-V331 PolarHBondContact O-N 2.95Å; C328-V331 VanDerWaalsContact O-N 3.16Å; V331-N334 PolarHBondContact O-N 3.13Å; V331-T335 VanDerWaalsContact O-CB 3.29Å; V331-T335 WeakPolarHBondContact O-CB 3.5Å; V331-T335 PolarHBondContact O-N 2.92Å; V331-T335 PolarHBondContact O-OG1 3.25Å
332	E	90.4	Very high	88.7	Confident	134 Å²	134	94.5 Å²	94.5	63%	0.626	50%	0.504	S	S	*	.	H	α-helix	trans	-60	-50.8	176.3	-72.3	174	-179.4	0	0	111.8	C328 Q329 N334 T335 A336	C328-E332 WeakPolarHBondContact O-CG 3.42Å; C328-E332 PolarHBondContact O-N 3.28Å; Q329-E332 PolarHBondContact O-N 3.18Å; E332-N334 PolarHBondContact O-N 3.17Å; E332-T335 PolarHBondContact O-N 3.22Å; E332-A336 WeakPolarHBondContact O-CB 3.36Å; E332-A336 PolarHBondContact O-N 2.82Å
333	V	91.6	Very high	88.6	Confident	93 Å²	93	96 Å²	96	56%	0.564	51%	0.507	S	S	*	.	H	α-helix	trans	-63.1	-43.6	179.3	173.3	0	0	0	0	111.5	Q329 A336 M337	Q329-V333 WeakPolarHBondContact O-CG2 3.36Å; Q329-V333 PolarHBondContact O-N 2.92Å; V333-A336 PolarHBondContact O-N 2.72Å; V333-M337 WeakPolarHBondContact O-CB 3.23Å; V333-M337 PolarHBondContact O-N 2.83Å
334	N	83.3	Confident	88.6	Confident	60 Å²	60	96.4 Å²	96.4	32%	0.321	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-42.8	177.7	-74	-5.4	0	0	0	111.4	Q330 V331 E332 M337 H338	Q330-N334 PolarHBondContact NE2-OD1 2.85Å; Q330-N334 VanDerWaalsContact O-CB 3.24Å; Q330-N334 WeakPolarHBondContact O-CB 3.42Å; Q330-N334 PolarHBondContact O-N 3.14Å; Q330-N334 PolarHBondContact O-ND2 3.18Å; Q330-N334 PolarHBondContact O-OD1 2.8Å; V331-N334 PolarHBondContact O-N 3.13Å; E332-N334 PolarHBondContact O-N 3.17Å; N334-M337 PolarHBondContact O-N 3.24Å; N334-H338 PolarHBondContact O-CD2 3.1Å; N334-H338 PolarHBondContact O-N 3.46Å
335	T	82.1	Confident	88.5	Confident	69 Å²	69	95.7 Å²	95.7	42%	0.423	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-48.4	179	-56.5	0	0	0	0	110.5	V331 E332 M337 H338 E339	V331-T335 VanDerWaalsContact O-CB 3.29Å; V331-T335 WeakPolarHBondContact O-CB 3.5Å; V331-T335 PolarHBondContact O-N 2.92Å; V331-T335 PolarHBondContact O-OG1 3.25Å; E332-T335 PolarHBondContact O-N 3.22Å; T335-M337 VanDerWaalsContact C-N 3.28Å; T335-M337 PolarHBondContact O-N 3Å; T335-H338 PolarHBondContact O-N 3.46Å; T335-H338 VanDerWaalsContact O-N 3.1Å; T335-E339 HydrophobicContact CG2-CG 4.49Å; T335-E339 WeakPolarHBondContact O-CG 3.33Å; T335-E339 PolarHBondContact O-N 3.48Å
336	A	89.9	Confident	88.3	Confident	52 Å²	52	94.4 Å²	94.4	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-59.7	-38.7	176.9	0	0	0	0	0	112.5	E332 V333 E339 A340	E332-A336 WeakPolarHBondContact O-CB 3.36Å; E332-A336 PolarHBondContact O-N 2.82Å; V333-A336 PolarHBondContact O-N 2.72Å; A336-E339 PolarHBondContact O-N 2.86Å; A336-A340 WeakPolarHBondContact O-CB 3.47Å; A336-A340 PolarHBondContact O-N 3.08Å
337	M	88.2	Confident	88.4	Confident	111 Å²	111	93.3 Å²	93.3	55%	0.547	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-41.4	175.2	-174.2	-177.4	67.3	0	0	112	V333 N334 T335 A340 K341	V333-M337 WeakPolarHBondContact O-CB 3.23Å; V333-M337 PolarHBondContact O-N 2.83Å; N334-M337 PolarHBondContact O-N 3.24Å; T335-M337 VanDerWaalsContact C-N 3.28Å; T335-M337 PolarHBondContact O-N 3Å; M337-A340 PolarHBondContact O-N 2.95Å; M337-K341 PolarHBondContact O-N 3.4Å
338	H	81.2	Confident	88.5	Confident	119 Å²	119	94 Å²	94	55%	0.551	50%	0.501	S	S	*	.	H	α-helix	trans	-68.9	-37.7	176.5	-72.7	-57.4	0	0	0	112.5	N334 T335 K341 L342	N334-H338 PolarHBondContact O-CD2 3.1Å; N334-H338 PolarHBondContact O-N 3.46Å; T335-H338 PolarHBondContact O-N 3.46Å; T335-H338 VanDerWaalsContact O-N 3.1Å; H338-K341 PolarHBondContact O-N 3.27Å; H338-L342 WeakPolarHBondContact O-CB 3.37Å; H338-L342 PolarHBondContact O-N 3.43Å
339	E	85.9	Confident	88.6	Confident	125 Å²	125	93.7 Å²	93.7	58%	0.584	49%	0.494	S	S	*	.	H	α-helix	trans	-60.7	-46.3	172.4	-73.3	179.9	159.1	0	0	111.3	T335 A336 K341 L342 V343	T335-E339 HydrophobicContact CG2-CG 4.49Å; T335-E339 WeakPolarHBondContact O-CG 3.33Å; T335-E339 PolarHBondContact O-N 3.48Å; A336-E339 PolarHBondContact O-N 2.86Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 2.91Å; E339-L342 PolarHBondContact O-N 3.36Å; E339-V343 WeakPolarHBondContact O-CG2 3.06Å; E339-V343 PolarHBondContact O-N 2.94Å; E339-V343 VanDerWaalsContact O-N 3.1Å
340	A	89.1	Confident	88.7	Confident	62 Å²	62	91.5 Å²	91.5	51%	0.512	49%	0.489	S	S	.	.	H	α-helix	trans	-60.5	-43	176.7	0	0	0	0	0	112	A336 M337 V343 E344	A336-A340 WeakPolarHBondContact O-CB 3.47Å; A336-A340 PolarHBondContact O-N 3.08Å; M337-A340 PolarHBondContact O-N 2.95Å; A340-V343 PolarHBondContact O-N 2.84Å; A340-E344 PolarHBondContact O-N 2.65Å; A340-E344 VanDerWaalsContact O-N 3.08Å
341	K	86.1	Confident	89.1	Confident	90 Å²	90	90.4 Å²	90.4	39%	0.391	48%	0.483	S	S	.	.	H	α-helix	trans	-65.5	-39.4	177	-170.3	173.3	-177.3	-177.9	0	112.4	M337 H338 E339 V343 E344 E345	M337-K341 PolarHBondContact O-N 3.4Å; H338-K341 PolarHBondContact O-N 3.27Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 2.91Å; K341-V343 VanDerWaalsContact C-N 3.3Å; K341-V343 PolarHBondContact O-N 2.91Å; K341-E344 PolarHBondContact O-N 2.88Å; K341-E345 HydrophobicContact CG-CG 4.3Å; K341-E345 VanDerWaalsContact O-CG 3.27Å; K341-E345 WeakPolarHBondContact O-CG 3.46Å; K341-E345 PolarHBondContact O-N 2.85Å
342	L	85.9	Confident	89.4	Confident	113 Å²	113	90.4 Å²	90.4	59%	0.592	48%	0.48	S	S	*	.	H	α-helix	trans	-59.7	-43.3	175.5	175.2	63.3	0	0	0	111.4	H338 E339 C346	H338-L342 WeakPolarHBondContact O-CB 3.37Å; H338-L342 PolarHBondContact O-N 3.43Å; E339-L342 PolarHBondContact O-N 3.36Å; L342-C346 WeakPolarHBondContact O-CB 3.3Å; L342-C346 PolarHBondContact O-N 2.92Å; L342-C346 PolarHBondContact O-SG 2.89Å
343	V	90.2	Very high	89.6	Confident	85 Å²	85	88.1 Å²	88.1	52%	0.515	47%	0.471	S	S	.	.	H	α-helix	trans	-61.6	-46.7	176.8	174	0	0	0	0	110.7	E339 A340 K341 C346 D347	E339-V343 WeakPolarHBondContact O-CG2 3.06Å; E339-V343 PolarHBondContact O-N 2.94Å; E339-V343 VanDerWaalsContact O-N 3.1Å; A340-V343 PolarHBondContact O-N 2.84Å; K341-V343 VanDerWaalsContact C-N 3.3Å; K341-V343 PolarHBondContact O-N 2.91Å; V343-C346 PolarHBondContact O-N 3.12Å; V343-D347 WeakPolarHBondContact O-CB 3.4Å; V343-D347 PolarHBondContact O-N 3.26Å
344	E	91.7	Very high	89.8	Confident	133 Å²	133	90.4 Å²	90.4	62%	0.621	47%	0.47	S	S	*	.	H	α-helix	trans	-57.9	-50.5	178.4	-175.3	177.7	-169.5	0	0	112.5	A340 K341 C346 D347 E348	A340-E344 PolarHBondContact O-N 2.65Å; A340-E344 VanDerWaalsContact O-N 3.08Å; K341-E344 PolarHBondContact O-N 2.88Å; E344-C346 VanDerWaalsContact C-N 3.35Å; E344-C346 PolarHBondContact O-N 2.81Å; E344-D347 PolarHBondContact O-N 3.17Å; E344-E348 PolarHBondContact O-N 3.45Å
345	E	87.8	Confident	90.5	Very high	95 Å²	95	92.7 Å²	92.7	44%	0.444	48%	0.478	S	S	.	.	H	α-helix	trans	-65.1	-37.6	-179.9	-62.5	-78.3	164	0	0	111.8	K341 E348 L349	K341-E345 HydrophobicContact CG-CG 4.3Å; K341-E345 VanDerWaalsContact O-CG 3.27Å; K341-E345 WeakPolarHBondContact O-CG 3.46Å; K341-E345 PolarHBondContact O-N 2.85Å; E345-E348 PolarHBondContact O-N 3.05Å; E345-L349 WeakPolarHBondContact O-CG 3.42Å; E345-L349 PolarHBondContact O-N 2.88Å; E345-L349 VanDerWaalsContact O-N 3.11Å
346	C	89.5	Confident	91.1	Very high	54 Å²	54	96.7 Å²	96.7	37%	0.365	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-42	175.2	-72.3	0	0	0	0	112	L342 V343 E344 E348 L349 V350	L342-C346 WeakPolarHBondContact O-CB 3.3Å; L342-C346 PolarHBondContact O-N 2.92Å; L342-C346 PolarHBondContact O-SG 2.89Å; V343-C346 PolarHBondContact O-N 3.12Å; E344-C346 VanDerWaalsContact C-N 3.35Å; E344-C346 PolarHBondContact O-N 2.81Å; C346-E348 VanDerWaalsContact C-N 3.3Å; C346-E348 PolarHBondContact O-N 3.01Å; C346-L349 PolarHBondContact O-N 2.98Å; C346-V350 VanDerWaalsContact O-CG2 3.3Å; C346-V350 WeakPolarHBondContact O-CG2 3.29Å; C346-V350 PolarHBondContact O-N 3.02Å
347	D	93.6	Very high	91.2	Very high	102 Å²	102	101.7 Å²	101.7	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-38.1	177.5	-80.6	-22.7	0	0	0	111.4	V343 E344 V350 E351	V343-D347 WeakPolarHBondContact O-CB 3.4Å; V343-D347 PolarHBondContact O-N 3.26Å; E344-D347 PolarHBondContact O-N 3.17Å; D347-V350 PolarHBondContact O-N 2.81Å; D347-E351 WeakPolarHBondContact O-CB 3.26Å; D347-E351 PolarHBondContact O-N 3.05Å
348	E	93.4	Very high	91.6	Very high	114 Å²	114	101.9 Å²	101.9	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-47.5	173.5	-172.6	172.5	-170.3	0	0	111.8	E344 E345 C346 V350 E351 I352	E344-E348 PolarHBondContact O-N 3.45Å; E345-E348 PolarHBondContact O-N 3.05Å; C346-E348 VanDerWaalsContact C-N 3.3Å; C346-E348 PolarHBondContact O-N 3.01Å; E348-V350 VanDerWaalsContact C-N 3.33Å; E348-V350 PolarHBondContact O-N 3.41Å; E348-E351 PolarHBondContact O-N 3.07Å; E348-E351 VanDerWaalsContact O-N 3.17Å; E348-I352 HydrophobicContact CG-CD1 4.27Å; E348-I352 WeakPolarHBondContact O-CG1 3.46Å; E348-I352 PolarHBondContact O-N 2.84Å
349	L	93.2	Very high	92.2	Very high	65 Å²	65	99.3 Å²	99.3	34%	0.34	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-42.1	175.9	-71.1	175.4	0	0	0	112.2	E345 C346 E351 I352 I353 L456	E345-L349 WeakPolarHBondContact O-CG 3.42Å; E345-L349 PolarHBondContact O-N 2.88Å; E345-L349 VanDerWaalsContact O-N 3.11Å; C346-L349 PolarHBondContact O-N 2.98Å; L349-E351 VanDerWaalsContact C-N 3.31Å; L349-E351 PolarHBondContact O-N 2.82Å; L349-I352 PolarHBondContact O-N 2.78Å; L349-I353 VanDerWaalsContact O-CG1 3.32Å; L349-I353 WeakPolarHBondContact O-CG1 3.3Å; L349-I353 PolarHBondContact O-N 2.79Å; L349-L456 HydrophobicContact CD1-CD1 3.78Å; L349-L456 HydrophobicContact CD1-CD2 4.16Å
350	V	93.8	Very high	92.5	Very high	67 Å²	67	95.4 Å²	95.4	41%	0.406	47%	0.472	S	S	.	.	H	α-helix	trans	-61.6	-41.1	176	167.9	0	0	0	0	111	C346 D347 E348 I353 R354	C346-V350 VanDerWaalsContact O-CG2 3.3Å; C346-V350 WeakPolarHBondContact O-CG2 3.29Å; C346-V350 PolarHBondContact O-N 3.02Å; D347-V350 PolarHBondContact O-N 2.81Å; E348-V350 VanDerWaalsContact C-N 3.33Å; E348-V350 PolarHBondContact O-N 3.41Å; V350-I353 PolarHBondContact O-N 2.98Å; V350-R354 WeakPolarHBondContact O-CB 3.16Å; V350-R354 PolarHBondContact O-N 3.17Å
351	E	96.2	Very high	92.6	Very high	74 Å²	74	94 Å²	94	35%	0.346	46%	0.461	S	S	.	.	H	α-helix	trans	-66.9	-42.2	178.1	-176	52.4	-149.7	0	0	111.7	D347 E348 L349 I353 R354 Q355	D347-E351 WeakPolarHBondContact O-CB 3.26Å; D347-E351 PolarHBondContact O-N 3.05Å; E348-E351 PolarHBondContact O-N 3.07Å; E348-E351 VanDerWaalsContact O-N 3.17Å; L349-E351 VanDerWaalsContact C-N 3.31Å; L349-E351 PolarHBondContact O-N 2.82Å; E351-I353 VanDerWaalsContact C-N 3.34Å; E351-I353 PolarHBondContact O-N 2.78Å; E351-R354 WeakPolarHBondContact O-CB 3.47Å; E351-R354 PolarHBondContact O-N 2.67Å; E351-R354 IonicContact OE2-CZ 3.03Å; E351-R354 IonicContact OE2-NH1 3.8Å; E351-R354 PolarHBondContact OE2-NH1 3.01Å; E351-Q355 VanDerWaalsContact O-CG 3.3Å; E351-Q355 WeakPolarHBondContact O-CG 3.39Å; E351-Q355 PolarHBondContact O-N 2.98Å; E351-Q355 WeakPolarHBondContact OE1-CG 3.47Å; E351-Q355 PolarHBondContact OE1-NE2 2.81Å
352	I	95.4	Very high	93	Very high	81 Å²	81	92.4 Å²	92.4	42%	0.415	46%	0.458	S	S	.	.	H	α-helix	trans	-58.2	-47.1	173.2	-67.5	167.2	0	0	0	110.6	E348 L349 R354 Q355 R356	E348-I352 HydrophobicContact CG-CD1 4.27Å; E348-I352 WeakPolarHBondContact O-CG1 3.46Å; E348-I352 PolarHBondContact O-N 2.84Å; L349-I352 PolarHBondContact O-N 2.78Å; I352-R354 VanDerWaalsContact C-N 3.32Å; I352-R354 PolarHBondContact O-N 3.04Å; I352-Q355 PolarHBondContact O-N 2.89Å; I352-R356 HydrophobicContact CG2-CG 4.33Å; I352-R356 WeakPolarHBondContact O-CB 3.46Å; I352-R356 VanDerWaalsContact O-CG 3.25Å; I352-R356 WeakPolarHBondContact O-CG 3.43Å; I352-R356 PolarHBondContact O-N 2.92Å
353	I	94.6	Very high	93.2	Very high	87 Å²	87	93.4 Å²	93.4	45%	0.446	46%	0.458	S	S	.	.	H	α-helix	trans	-61.5	-42.2	177.9	-68.3	167.7	0	0	0	110.7	L349 V350 E351 R356 K357 L453	L349-I353 VanDerWaalsContact O-CG1 3.32Å; L349-I353 WeakPolarHBondContact O-CG1 3.3Å; L349-I353 PolarHBondContact O-N 2.79Å; V350-I353 PolarHBondContact O-N 2.98Å; E351-I353 VanDerWaalsContact C-N 3.34Å; E351-I353 PolarHBondContact O-N 2.78Å; I353-R356 PolarHBondContact O-N 2.85Å; I353-K357 WeakPolarHBondContact O-CB 3.46Å; I353-K357 PolarHBondContact O-N 3.31Å; I353-L453 HydrophobicContact CD1-CD1 3.71Å; I353-L453 HydrophobicContact CD1-CD2 4.27Å
354	R	95.5	Very high	93.2	Very high	141 Å²	141	92 Å²	92	53%	0.532	45%	0.447	S	S	.	.	H	α-helix	trans	-61.8	-44.5	177.6	-172.8	-178.5	-69.2	121.6	-0.7	111.5	V350 E351 I352 K357 Q358	V350-R354 WeakPolarHBondContact O-CB 3.16Å; V350-R354 PolarHBondContact O-N 3.17Å; E351-R354 WeakPolarHBondContact O-CB 3.47Å; E351-R354 PolarHBondContact O-N 2.67Å; E351-R354 IonicContact OE2-CZ 3.03Å; E351-R354 IonicContact OE2-NH1 3.8Å; E351-R354 PolarHBondContact OE2-NH1 3.01Å; I352-R354 VanDerWaalsContact C-N 3.32Å; I352-R354 PolarHBondContact O-N 3.04Å; R354-K357 WeakPolarHBondContact O-CB 3.49Å; R354-K357 PolarHBondContact O-N 3.11Å; R354-Q358 PolarHBondContact O-N 3.08Å; R354-Q358 VanDerWaalsContact O-N 3.16Å
355	Q	96.4	Very high	93.1	Very high	108 Å²	108	92.2 Å²	92.2	51%	0.505	45%	0.446	S	S	.	.	H	α-helix	trans	-63.7	-46.6	176	-70.2	174.3	10.6	0	0	111.6	E351 I352 K357 Q358 V359	E351-Q355 VanDerWaalsContact O-CG 3.3Å; E351-Q355 WeakPolarHBondContact O-CG 3.39Å; E351-Q355 PolarHBondContact O-N 2.98Å; E351-Q355 WeakPolarHBondContact OE1-CG 3.47Å; E351-Q355 PolarHBondContact OE1-NE2 2.81Å; I352-Q355 PolarHBondContact O-N 2.89Å; Q355-K357 VanDerWaalsContact C-N 3.34Å; Q355-K357 PolarHBondContact O-N 2.69Å; Q355-Q358 WeakPolarHBondContact O-CB 3.27Å; Q355-Q358 PolarHBondContact O-N 3.17Å; Q355-Q358 VanDerWaalsContact O-N 3.12Å; Q355-V359 WeakPolarHBondContact O-CG2 3.02Å; Q355-V359 PolarHBondContact O-N 3.36Å
356	R	94.5	Very high	93.3	Very high	152 Å²	152	93.1 Å²	93.1	57%	0.574	45%	0.45	S	S	*	.	H	α-helix	trans	-62.2	-40.5	178.3	-68.1	-63.8	-67.4	-178.2	-8	112.1	I352 I353 Q358 V359 I360	I352-R356 HydrophobicContact CG2-CG 4.33Å; I352-R356 WeakPolarHBondContact O-CB 3.46Å; I352-R356 VanDerWaalsContact O-CG 3.25Å; I352-R356 WeakPolarHBondContact O-CG 3.43Å; I352-R356 PolarHBondContact O-N 2.92Å; I353-R356 PolarHBondContact O-N 2.85Å; R356-Q358 VanDerWaalsContact C-N 3.32Å; R356-Q358 PolarHBondContact O-N 2.83Å; R356-V359 PolarHBondContact O-N 2.64Å; R356-I360 WeakPolarHBondContact O-CG1 3.47Å; R356-I360 PolarHBondContact O-N 3.4Å
357	K	94	Very high	93.1	Very high	157 Å²	157	92.4 Å²	92.4	68%	0.683	45%	0.446	S	S	*	.	H	α-helix	trans	-55.6	-46.3	172.3	175.1	-174.1	174.2	-178	0	111.4	I353 R354 Q355 I360 A361	I353-K357 WeakPolarHBondContact O-CB 3.46Å; I353-K357 PolarHBondContact O-N 3.31Å; R354-K357 WeakPolarHBondContact O-CB 3.49Å; R354-K357 PolarHBondContact O-N 3.11Å; Q355-K357 VanDerWaalsContact C-N 3.34Å; Q355-K357 PolarHBondContact O-N 2.69Å; K357-I360 PolarHBondContact O-N 2.81Å; K357-A361 WeakPolarHBondContact O-CB 3.48Å; K357-A361 PolarHBondContact O-N 3.43Å
358	Q	95.5	Very high	92.8	Very high	116 Å²	116	93.7 Å²	93.7	54%	0.542	45%	0.447	S	S	.	.	H	α-helix	trans	-64.4	-44	179.6	-174.9	63.3	10.2	0	0	111.8	R354 Q355 R356 I360 A361 V362	R354-Q358 PolarHBondContact O-N 3.08Å; R354-Q358 VanDerWaalsContact O-N 3.16Å; Q355-Q358 WeakPolarHBondContact O-CB 3.27Å; Q355-Q358 PolarHBondContact O-N 3.17Å; Q355-Q358 VanDerWaalsContact O-N 3.12Å; R356-Q358 VanDerWaalsContact C-N 3.32Å; R356-Q358 PolarHBondContact O-N 2.83Å; Q358-I360 PolarHBondContact O-N 2.9Å; Q358-A361 PolarHBondContact O-N 3.37Å; Q358-V362 WeakPolarHBondContact O-CG2 3.41Å; Q358-V362 PolarHBondContact O-N 2.84Å
359	V	94.7	Very high	92.7	Very high	65 Å²	65	92.4 Å²	92.4	39%	0.394	45%	0.446	S	S	.	.	H	α-helix	trans	-59.3	-46.7	176.8	172.3	0	0	0	0	111.4	Q355 R356 V362 K363	Q355-V359 WeakPolarHBondContact O-CG2 3.02Å; Q355-V359 PolarHBondContact O-N 3.36Å; R356-V359 PolarHBondContact O-N 2.64Å; V359-V362 PolarHBondContact O-N 3.32Å; V359-K363 PolarHBondContact O-N 2.85Å; V359-K363 VanDerWaalsContact O-N 3.14Å
360	I	91.4	Very high	92.4	Very high	43 Å²	43	95.8 Å²	95.8	22%	0.221	46%	0.462	C	S	.	.	H	α-helix	trans	-64.8	-42.3	178.5	-65.7	167.9	0	0	0	110.5	R356 K357 Q358 V362 K363 I364 L444 F446	R356-I360 WeakPolarHBondContact O-CG1 3.47Å; R356-I360 PolarHBondContact O-N 3.4Å; K357-I360 PolarHBondContact O-N 2.81Å; Q358-I360 PolarHBondContact O-N 2.9Å; I360-V362 VanDerWaalsContact C-N 3.33Å; I360-V362 PolarHBondContact O-N 3.35Å; I360-K363 PolarHBondContact O-N 2.98Å; I360-I364 HydrophobicContact CG2-CD1 3.98Å; I360-I364 HydrophobicContact CG2-CG1 4.49Å; I360-I364 WeakPolarHBondContact O-CG1 3.45Å; I360-I364 PolarHBondContact O-N 2.64Å; I360-L444 HydrophobicContact CG2-CD2 4.07Å; I360-F446 HydrophobicContact CD1-CE1 3.99Å; I360-F446 HydrophobicContact CD1-CZ 4.02Å
361	A	92	Very high	92	Very high	32 Å²	32	94.6 Å²	94.6	26%	0.264	45%	0.451	S	S	.	.	H	α-helix	trans	-61.7	-39.2	178.1	0	0	0	0	0	112.6	K357 Q358 I364 K365	K357-A361 WeakPolarHBondContact O-CB 3.48Å; K357-A361 PolarHBondContact O-N 3.43Å; Q358-A361 PolarHBondContact O-N 3.37Å; A361-I364 PolarHBondContact O-N 2.98Å; A361-K365 WeakPolarHBondContact O-CG 3.49Å; A361-K365 PolarHBondContact O-N 3.43Å; A361-K365 VanDerWaalsContact O-N 3.08Å
362	V	94.4	Very high	91.6	Very high	56 Å²	56	95.6 Å²	95.6	34%	0.339	46%	0.458	S	S	.	.	H	α-helix	trans	-62.7	-48	174.3	171.3	0	0	0	0	110.6	Q358 V359 I360 I364 K365 E366	Q358-V362 WeakPolarHBondContact O-CG2 3.41Å; Q358-V362 PolarHBondContact O-N 2.84Å; V359-V362 PolarHBondContact O-N 3.32Å; I360-V362 VanDerWaalsContact C-N 3.33Å; I360-V362 PolarHBondContact O-N 3.35Å; V362-I364 VanDerWaalsContact C-N 3.31Å; V362-I364 PolarHBondContact O-N 2.97Å; V362-K365 WeakPolarHBondContact O-CB 2.95Å; V362-K365 PolarHBondContact O-N 3.17Å; V362-E366 HydrophobicContact CG1-CG 4.22Å; V362-E366 WeakPolarHBondContact O-CG 3.22Å; V362-E366 PolarHBondContact O-N 3.17Å
363	K	90.3	Very high	91.3	Very high	134 Å²	134	100.8 Å²	100.8	58%	0.583	47%	0.473	S	S	*	.	H	α-helix	trans	-58.4	-40.6	177.9	-71.5	-176.5	177.5	-172.3	0	113	V359 I360 E366 S367	V359-K363 PolarHBondContact O-N 2.85Å; V359-K363 VanDerWaalsContact O-N 3.14Å; I360-K363 PolarHBondContact O-N 2.98Å; K363-E366 PolarHBondContact O-N 3.45Å; K363-S367 WeakPolarHBondContact O-CB 3.28Å; K363-S367 PolarHBondContact O-N 2.92Å
364	I	88.8	Confident	90.8	Very high	57 Å²	57	102.6 Å²	102.6	29%	0.292	48%	0.478	S	S	.	.	H	α-helix	trans	-62.9	-44.4	175.5	-67.4	169.3	0	0	0	110.4	I360 A361 V362 K368 F442	I360-I364 HydrophobicContact CG2-CD1 3.98Å; I360-I364 HydrophobicContact CG2-CG1 4.49Å; I360-I364 WeakPolarHBondContact O-CG1 3.45Å; I360-I364 PolarHBondContact O-N 2.64Å; A361-I364 PolarHBondContact O-N 2.98Å; V362-I364 VanDerWaalsContact C-N 3.31Å; V362-I364 PolarHBondContact O-N 2.97Å; I364-K368 WeakPolarHBondContact O-CB 3.32Å; I364-K368 PolarHBondContact O-N 3.1Å; I364-F442 HydrophobicContact CB-CE1 4.36Å; I364-F442 HydrophobicContact CB-CZ 4.48Å; I364-F442 HydrophobicContact CG1-CD1 3.95Å; I364-F442 HydrophobicContact CG1-CE1 3.9Å; I364-F442 HydrophobicContact CG1-CZ 4.45Å; I364-F442 HydrophobicContact CG2-CE2 4.37Å; I364-F442 HydrophobicContact CG2-CZ 4.26Å
365	K	90.9	Very high	90.3	Very high	136 Å²	136	98.1 Å²	98.1	59%	0.591	46%	0.464	S	S	*	.	H	α-helix	trans	-63.3	-45.8	177.6	-72.9	174.8	-178	179.6	0	112	A361 V362 K368 V369	A361-K365 WeakPolarHBondContact O-CG 3.49Å; A361-K365 PolarHBondContact O-N 3.43Å; A361-K365 VanDerWaalsContact O-N 3.08Å; V362-K365 WeakPolarHBondContact O-CB 2.95Å; V362-K365 PolarHBondContact O-N 3.17Å; K365-K368 WeakPolarHBondContact O-CB 3.45Å; K365-K368 PolarHBondContact O-N 2.75Å; K365-V369 WeakPolarHBondContact O-CG2 3.01Å; K365-V369 PolarHBondContact O-N 3.42Å
366	E	90.5	Very high	90	Very high	114 Å²	114	95.7 Å²	95.7	53%	0.533	46%	0.462	S	S	.	.	H	α-helix	trans	-61.7	-47	178.4	-72.4	175.3	164.1	0	0	111.8	V362 K363 K368 V369 M370	V362-E366 HydrophobicContact CG1-CG 4.22Å; V362-E366 WeakPolarHBondContact O-CG 3.22Å; V362-E366 PolarHBondContact O-N 3.17Å; K363-E366 PolarHBondContact O-N 3.45Å; E366-K368 PolarHBondContact O-N 3.09Å; E366-V369 PolarHBondContact O-N 3.17Å; E366-V369 VanDerWaalsContact O-N 3.16Å; E366-M370 PolarHBondContact O-N 3.25Å
367	S	86.1	Confident	89.7	Confident	39 Å²	39	93.9 Å²	93.9	27%	0.273	46%	0.46	S	S	.	.	H	α-helix	trans	-64.9	-38.9	177.4	173.6	0	0	0	0	111.8	K363 V369 M370 K371 F442	K363-S367 WeakPolarHBondContact O-CB 3.28Å; K363-S367 PolarHBondContact O-N 2.92Å; S367-V369 PolarHBondContact O-N 3.44Å; S367-M370 PolarHBondContact O-N 2.93Å; S367-K371 WeakPolarHBondContact O-CB 3.46Å; S367-K371 WeakPolarHBondContact O-CG 3.48Å; S367-K371 PolarHBondContact O-N 2.77Å; S367-F442 WeakPolarHBondContact OG-CZ 3.33Å
368	K	87.3	Confident	89.3	Confident	130 Å²	130	88.8 Å²	88.8	57%	0.565	44%	0.439	S	S	*	.	H	α-helix	trans	-56.7	-48.4	169.7	175.8	-176.5	175.4	-179.7	0	111.4	I364 K365 E366 M370 K371 L372	I364-K368 WeakPolarHBondContact O-CB 3.32Å; I364-K368 PolarHBondContact O-N 3.1Å; K365-K368 WeakPolarHBondContact O-CB 3.45Å; K365-K368 PolarHBondContact O-N 2.75Å; E366-K368 PolarHBondContact O-N 3.09Å; K368-M370 PolarHBondContact O-N 3.16Å; K368-K371 PolarHBondContact O-N 2.99Å; K368-L372 HydrophobicContact CG-CD1 3.96Å; K368-L372 HydrophobicContact CG-CG 4.4Å; K368-L372 WeakPolarHBondContact O-CB 3.19Å; K368-L372 WeakPolarHBondContact O-CG 3.37Å; K368-L372 PolarHBondContact O-N 2.9Å
369	V	91.1	Very high	88.9	Confident	86 Å²	86	87.5 Å²	87.5	52%	0.521	44%	0.435	S	S	.	.	H	α-helix	trans	-62	-43.3	179.4	170.5	0	0	0	0	110.9	K365 E366 S367 L372 R373	K365-V369 WeakPolarHBondContact O-CG2 3.01Å; K365-V369 PolarHBondContact O-N 3.42Å; E366-V369 PolarHBondContact O-N 3.17Å; E366-V369 VanDerWaalsContact O-N 3.16Å; S367-V369 PolarHBondContact O-N 3.44Å; V369-L372 PolarHBondContact O-N 3.25Å; V369-R373 WeakPolarHBondContact O-CB 3.31Å; V369-R373 PolarHBondContact O-N 3.18Å
370	M	87.6	Confident	88.7	Confident	136 Å²	136	86.7 Å²	86.7	67%	0.67	44%	0.435	S	S	*	.	H	α-helix	trans	-61.9	-47	175.9	-76.3	-165.1	177.5	0	0	112.4	E366 S367 K368 R373 K374	E366-M370 PolarHBondContact O-N 3.25Å; S367-M370 PolarHBondContact O-N 2.93Å; K368-M370 PolarHBondContact O-N 3.16Å; M370-R373 WeakPolarHBondContact O-CB 3.38Å; M370-R373 PolarHBondContact O-N 3.31Å; M370-K374 PolarHBondContact O-N 3.42Å
371	K	85.3	Confident	88.4	Confident	42 Å²	42	88.1 Å²	88.1	18%	0.183	44%	0.443	C	S	.	.	H	α-helix	trans	-61.4	-45.6	177.8	-74.4	178.4	168.3	-160.4	0	111.8	S367 K368 R373 K374 L375 A438 D440	S367-K371 WeakPolarHBondContact O-CB 3.46Å; S367-K371 WeakPolarHBondContact O-CG 3.48Å; S367-K371 PolarHBondContact O-N 2.77Å; K368-K371 PolarHBondContact O-N 2.99Å; K371-R373 VanDerWaalsContact C-N 3.3Å; K371-R373 PolarHBondContact O-N 3.36Å; K371-K374 PolarHBondContact O-N 3.07Å; K371-L375 WeakPolarHBondContact O-CG 3.25Å; K371-L375 PolarHBondContact O-N 3.43Å; K371-A438 WeakPolarHBondContact CD-O 3.21Å; K371-A438 PolarHBondContact NZ-O 2.74Å; K371-D440 PolarHBondContact NZ-O 2.8Å
372	L	87.9	Confident	88.1	Confident	96 Å²	96	88.4 Å²	88.4	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-61.6	-37.7	175.1	-73.7	175.4	0	0	0	112.1	K368 V369 L375 A376	K368-L372 HydrophobicContact CG-CD1 3.96Å; K368-L372 HydrophobicContact CG-CG 4.4Å; K368-L372 WeakPolarHBondContact O-CB 3.19Å; K368-L372 WeakPolarHBondContact O-CG 3.37Å; K368-L372 PolarHBondContact O-N 2.9Å; V369-L372 PolarHBondContact O-N 3.25Å; L372-L375 PolarHBondContact O-N 3.18Å; L372-A376 WeakPolarHBondContact O-CB 3.15Å; L372-A376 PolarHBondContact O-N 2.87Å
373	R	88.3	Confident	87.8	Confident	189 Å²	189	93.6 Å²	93.6	71%	0.713	46%	0.456	S	S	*	.	H	α-helix	trans	-64.9	-44.2	176	-164.7	-175.3	-142.8	110.7	1.3	111.9	V369 M370 K371 A376 Q377	V369-R373 WeakPolarHBondContact O-CB 3.31Å; V369-R373 PolarHBondContact O-N 3.18Å; M370-R373 WeakPolarHBondContact O-CB 3.38Å; M370-R373 PolarHBondContact O-N 3.31Å; K371-R373 VanDerWaalsContact C-N 3.3Å; K371-R373 PolarHBondContact O-N 3.36Å; R373-A376 PolarHBondContact O-N 2.92Å; R373-Q377 PolarHBondContact O-N 3.33Å
374	K	84.9	Confident	87.7	Confident	126 Å²	126	91.5 Å²	91.5	55%	0.548	45%	0.448	S	S	.	.	H	α-helix	trans	-59.4	-46.6	174.9	-75.6	-173.8	171.5	-169.6	0	111.3	M370 K371 Q377 Q378 E437	M370-K374 PolarHBondContact O-N 3.42Å; K371-K374 PolarHBondContact O-N 3.07Å; K374-Q377 WeakPolarHBondContact O-CB 3.43Å; K374-Q377 PolarHBondContact O-N 3.25Å; K374-Q378 PolarHBondContact O-N 2.83Å; K374-E437 IonicContact NZ-OE2 3.59Å; K374-E437 PolarHBondContact NZ-OE2 3.1Å
375	L	85.4	Confident	87.6	Confident	47 Å²	47	89.4 Å²	89.4	25%	0.246	44%	0.439	C	S	.	.	H	α-helix	trans	-62.5	-44.9	177.1	-73.3	171.7	0	0	0	112.1	K371 L372 Q377 Q378 I379 A438	K371-L375 WeakPolarHBondContact O-CG 3.25Å; K371-L375 PolarHBondContact O-N 3.43Å; L372-L375 PolarHBondContact O-N 3.18Å; L375-Q377 VanDerWaalsContact C-N 3.26Å; L375-Q377 PolarHBondContact O-N 3.21Å; L375-Q378 PolarHBondContact O-N 2.89Å; L375-I379 WeakPolarHBondContact O-CG1 3.21Å; L375-I379 PolarHBondContact O-N 3.06Å; L375-A438 HydrophobicContact CD1-CB 4.25Å; L375-A438 HydrophobicContact CD2-CB 3.92Å; L375-A438 HydrophobicContact CG-CB 4.23Å
376	A	89	Confident	87.4	Confident	57 Å²	57	88.9 Å²	88.9	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-59.2	-38.4	176.3	0	0	0	0	0	111.9	L372 R373 I379 A380	L372-A376 WeakPolarHBondContact O-CB 3.15Å; L372-A376 PolarHBondContact O-N 2.87Å; R373-A376 PolarHBondContact O-N 2.92Å; A376-I379 PolarHBondContact O-N 2.95Å; A376-A380 WeakPolarHBondContact O-CB 3.31Å; A376-A380 PolarHBondContact O-N 2.75Å
377	Q	87.8	Confident	87.3	Confident	113 Å²	113	90 Å²	90	53%	0.528	45%	0.447	S	S	.	.	H	α-helix	trans	-66.2	-44.1	175.4	-172.9	61.9	51.5	0	0	112.2	R373 K374 L375 I379 A380 N381	R373-Q377 PolarHBondContact O-N 3.33Å; K374-Q377 WeakPolarHBondContact O-CB 3.43Å; K374-Q377 PolarHBondContact O-N 3.25Å; L375-Q377 VanDerWaalsContact C-N 3.26Å; L375-Q377 PolarHBondContact O-N 3.21Å; Q377-I379 VanDerWaalsContact C-N 3.33Å; Q377-I379 PolarHBondContact O-N 3.33Å; Q377-A380 PolarHBondContact O-N 3.47Å; Q377-N381 PolarHBondContact NE2-OD1 3.34Å; Q377-N381 PolarHBondContact O-N 3.46Å; Q377-N381 PolarHBondContact O-OD1 3.35Å
378	Q	86.1	Confident	87.3	Confident	50 Å²	50	95.6 Å²	95.6	23%	0.234	46%	0.462	C	S	.	.	H	α-helix	trans	-61.3	-41.9	175.5	-73.5	179.5	-14.9	0	0	111.5	K374 L375 A380 N381 C382 N434	K374-Q378 PolarHBondContact O-N 2.83Å; L375-Q378 PolarHBondContact O-N 2.89Å; Q378-A380 PolarHBondContact O-N 3.14Å; Q378-N381 PolarHBondContact O-N 2.85Å; Q378-C382 PolarHBondContact O-N 3.06Å; Q378-C382 PolarHBondContact O-SG 3.46Å; Q378-N434 PolarHBondContact NE2-O 2.74Å
379	I	87.8	Confident	87.2	Confident	90 Å²	90	91 Å²	91	46%	0.462	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-45	174.7	-67.9	166.9	0	0	0	110.9	L375 A376 Q377 N381 C382 R383	L375-I379 WeakPolarHBondContact O-CG1 3.21Å; L375-I379 PolarHBondContact O-N 3.06Å; A376-I379 PolarHBondContact O-N 2.95Å; Q377-I379 VanDerWaalsContact C-N 3.33Å; Q377-I379 PolarHBondContact O-N 3.33Å; I379-N381 VanDerWaalsContact C-N 3.34Å; I379-N381 PolarHBondContact O-N 3.13Å; I379-C382 PolarHBondContact O-N 3.31Å; I379-R383 WeakPolarHBondContact O-CG 3.41Å; I379-R383 PolarHBondContact O-N 3.39Å
380	A	89.3	Confident	87.1	Confident	48 Å²	48	90.2 Å²	90.2	40%	0.397	45%	0.445	S	S	.	.	H	α-helix	trans	-61	-42.8	177.9	0	0	0	0	0	111.8	A376 Q377 Q378 C382 R383 Q384	A376-A380 WeakPolarHBondContact O-CB 3.31Å; A376-A380 PolarHBondContact O-N 2.75Å; Q377-A380 PolarHBondContact O-N 3.47Å; Q378-A380 PolarHBondContact O-N 3.14Å; A380-C382 PolarHBondContact O-N 2.77Å; A380-R383 PolarHBondContact O-N 3.17Å; A380-Q384 PolarHBondContact O-N 2.85Å
381	N	85.8	Confident	87.3	Confident	73 Å²	73	86.6 Å²	86.6	39%	0.39	44%	0.436	S	S	.	.	H	α-helix	trans	-62.6	-42.4	176.6	-65.9	-5.8	0	0	0	111.8	Q377 Q378 I379 Q384 C385	Q377-N381 PolarHBondContact NE2-OD1 3.34Å; Q377-N381 PolarHBondContact O-N 3.46Å; Q377-N381 PolarHBondContact O-OD1 3.35Å; Q378-N381 PolarHBondContact O-N 2.85Å; I379-N381 VanDerWaalsContact C-N 3.34Å; I379-N381 PolarHBondContact O-N 3.13Å; N381-Q384 PolarHBondContact O-N 3.4Å; N381-C385 PolarHBondContact O-N 2.86Å
382	C	85.9	Confident	87.4	Confident	37 Å²	37	85.6 Å²	85.6	25%	0.25	43%	0.432	C	S	.	.	H	α-helix	trans	-62.7	-45	175.6	-65.1	0	0	0	0	112	Q378 I379 A380 Q384 C385 L386	Q378-C382 PolarHBondContact O-N 3.06Å; Q378-C382 PolarHBondContact O-SG 3.46Å; I379-C382 PolarHBondContact O-N 3.31Å; A380-C382 PolarHBondContact O-N 2.77Å; C382-Q384 VanDerWaalsContact C-N 3.33Å; C382-Q384 PolarHBondContact O-N 3.28Å; C382-C385 PolarHBondContact O-N 3.14Å; C382-L386 WeakPolarHBondContact O-CG 3.27Å; C382-L386 PolarHBondContact O-N 2.82Å
383	R	88.8	Confident	87.5	Confident	165 Å²	165	85.2 Å²	85.2	62%	0.623	43%	0.43	S	S	*	.	H	α-helix	trans	-58.5	-45	175.8	-75.2	179.3	176.8	177.2	-1.1	111.7	I379 A380 C385 L386 E387	I379-R383 WeakPolarHBondContact O-CG 3.41Å; I379-R383 PolarHBondContact O-N 3.39Å; A380-R383 PolarHBondContact O-N 3.17Å; R383-C385 VanDerWaalsContact C-N 3.35Å; R383-C385 PolarHBondContact O-N 3.05Å; R383-L386 WeakPolarHBondContact O-CB 3.45Å; R383-L386 PolarHBondContact O-N 3.04Å; R383-E387 WeakPolarHBondContact O-CG 3.44Å; R383-E387 PolarHBondContact O-N 2.89Å
384	Q	87.7	Confident	87.6	Confident	91 Å²	91	79.1 Å²	79.1	43%	0.425	41%	0.414	S	S	.	.	H	α-helix	trans	-64.6	-38.6	179.1	-167	-179.5	27.9	0	0	112.5	A380 N381 C382 E387 R388	A380-Q384 PolarHBondContact O-N 2.85Å; N381-Q384 PolarHBondContact O-N 3.4Å; C382-Q384 VanDerWaalsContact C-N 3.33Å; C382-Q384 PolarHBondContact O-N 3.28Å; Q384-E387 PolarHBondContact O-N 2.89Å; Q384-R388 WeakPolarHBondContact O-CG 3.37Å; Q384-R388 PolarHBondContact O-N 3.01Å; Q384-R388 VanDerWaalsContact O-N 3.08Å
385	C	86.2	Confident	87.8	Confident	13 Å²	13	76.4 Å²	76.4	9%	0.088	40%	0.403	C	S	.	.	H	α-helix	trans	-63.4	-44.4	174.6	-178.4	0	0	0	0	111.4	N381 C382 R383 E387 R388 S389 V428 L429 P431	N381-C385 PolarHBondContact O-N 2.86Å; C382-C385 PolarHBondContact O-N 3.14Å; R383-C385 VanDerWaalsContact C-N 3.35Å; R383-C385 PolarHBondContact O-N 3.05Å; C385-E387 PolarHBondContact O-N 2.86Å; C385-R388 PolarHBondContact O-N 3.41Å; C385-S389 WeakPolarHBondContact O-CB 3.37Å; C385-S389 PolarHBondContact O-N 3.45Å; C385-V428 PolarHBondContact SG-O 3.14Å; C385-L429 PolarHBondContact SG-O 2.97Å; C385-P431 HydrophobicContact CB-CG 3.92Å
386	L	85.8	Confident	88	Confident	124 Å²	124	75.2 Å²	75.2	65%	0.649	40%	0.4	S	S	*	.	H	α-helix	trans	-60	-44.4	174.9	-73.5	169.9	0	0	0	112.3	C382 R383 S389 S390	C382-L386 WeakPolarHBondContact O-CG 3.27Å; C382-L386 PolarHBondContact O-N 2.82Å; R383-L386 WeakPolarHBondContact O-CB 3.45Å; R383-L386 PolarHBondContact O-N 3.04Å; L386-S389 PolarHBondContact O-N 3.11Å; L386-S390 VanDerWaalsContact O-CB 3.31Å; L386-S390 WeakPolarHBondContact O-CB 3.24Å; L386-S390 PolarHBondContact O-N 2.98Å
387	E	89.1	Confident	88.1	Confident	137 Å²	137	77.1 Å²	77.1	64%	0.64	40%	0.399	S	S	*	.	H	α-helix	trans	-60.9	-46.1	177.1	-75.7	173.3	-176.2	0	0	112.2	R383 Q384 C385 S389 S390 A391	R383-E387 WeakPolarHBondContact O-CG 3.44Å; R383-E387 PolarHBondContact O-N 2.89Å; Q384-E387 PolarHBondContact O-N 2.89Å; C385-E387 PolarHBondContact O-N 2.86Å; E387-S389 PolarHBondContact O-N 3.47Å; E387-S390 PolarHBondContact O-N 2.77Å; E387-A391 WeakPolarHBondContact O-CB 3.35Å; E387-A391 PolarHBondContact O-N 3.38Å
388	R	85.6	Confident	88.2	Confident	158 Å²	158	78 Å²	78	60%	0.596	40%	0.403	S	S	*	.	H	α-helix	trans	-62.9	-42.6	177.2	-69.7	176.2	-166.6	157.9	3.2	112	Q384 C385 A391 L392	Q384-R388 WeakPolarHBondContact O-CG 3.37Å; Q384-R388 PolarHBondContact O-N 3.01Å; Q384-R388 VanDerWaalsContact O-N 3.08Å; C385-R388 PolarHBondContact O-N 3.41Å; R388-A391 PolarHBondContact O-N 2.84Å; R388-L392 PolarHBondContact O-N 3.03Å; R388-L392 VanDerWaalsContact O-N 3.07Å
389	S	85.7	Confident	88.4	Confident	33 Å²	33	76.3 Å²	76.3	23%	0.231	40%	0.397	C	S	.	.	H	α-helix	trans	-63.4	-46.9	177.3	-174.8	0	0	0	0	111.2	C385 L386 E387 A391 L392 I393	C385-S389 WeakPolarHBondContact O-CB 3.37Å; C385-S389 PolarHBondContact O-N 3.45Å; L386-S389 PolarHBondContact O-N 3.11Å; E387-S389 PolarHBondContact O-N 3.47Å; S389-A391 PolarHBondContact O-N 2.94Å; S389-L392 PolarHBondContact O-N 3.49Å; S389-I393 VanDerWaalsContact O-CG1 3.3Å; S389-I393 WeakPolarHBondContact O-CG1 3.49Å; S389-I393 PolarHBondContact O-N 2.96Å
390	S	89.9	Confident	88.4	Confident	70 Å²	70	78.5 Å²	78.5	49%	0.49	41%	0.409	S	S	.	.	H	α-helix	trans	-59.1	-43	176.7	-177.1	0	0	0	0	112.8	L386 E387 I393 T394	L386-S390 VanDerWaalsContact O-CB 3.31Å; L386-S390 WeakPolarHBondContact O-CB 3.24Å; L386-S390 PolarHBondContact O-N 2.98Å; E387-S390 PolarHBondContact O-N 2.77Å; S390-I393 PolarHBondContact O-N 3.32Å; S390-T394 PolarHBondContact O-N 2.99Å; S390-T394 PolarHBondContact O-OG1 2.86Å
391	A	90	Very high	88.4	Confident	59 Å²	59	83.4 Å²	83.4	49%	0.488	42%	0.422	S	S	.	.	H	α-helix	trans	-63.7	-41.3	175.9	0	0	0	0	0	112.3	E387 R388 S389 T394 Q395	E387-A391 WeakPolarHBondContact O-CB 3.35Å; E387-A391 PolarHBondContact O-N 3.38Å; R388-A391 PolarHBondContact O-N 2.84Å; S389-A391 PolarHBondContact O-N 2.94Å; A391-T394 PolarHBondContact O-N 3.48Å; A391-Q395 WeakPolarHBondContact O-CB 3.4Å; A391-Q395 PolarHBondContact O-N 2.96Å
392	L	88.9	Confident	88.6	Confident	21 Å²	21	83.3 Å²	83.3	11%	0.11	42%	0.419	C	S	.	.	H	α-helix	trans	-66.4	-40.8	177.1	-175.9	63.3	0	0	0	111.9	R388 S389 Q395 A396 R418 V419 A422	R388-L392 PolarHBondContact O-N 3.03Å; R388-L392 VanDerWaalsContact O-N 3.07Å; S389-L392 PolarHBondContact O-N 3.49Å; L392-Q395 PolarHBondContact O-N 2.99Å; L392-A396 WeakPolarHBondContact O-CB 3.48Å; L392-A396 PolarHBondContact O-N 2.86Å; L392-R418 HydrophobicContact CD1-CB 4Å; L392-V419 HydrophobicContact CD1-CG2 4.13Å; L392-V419 HydrophobicContact CD2-CG2 4.14Å; L392-V419 HydrophobicContact CG-CG2 3.92Å; L392-A422 HydrophobicContact CD2-CB 3.73Å
393	I	88.9	Confident	88.7	Confident	89 Å²	89	88.4 Å²	88.4	46%	0.456	44%	0.443	S	S	.	.	H	α-helix	trans	-59.2	-49.7	173.6	-69.1	164.9	0	0	0	109.8	S389 S390 Q395 A396 E397	S389-I393 VanDerWaalsContact O-CG1 3.3Å; S389-I393 WeakPolarHBondContact O-CG1 3.49Å; S389-I393 PolarHBondContact O-N 2.96Å; S390-I393 PolarHBondContact O-N 3.32Å; I393-Q395 VanDerWaalsContact C-N 3.29Å; I393-Q395 PolarHBondContact O-N 3.1Å; I393-A396 WeakPolarHBondContact O-CB 3.3Å; I393-A396 PolarHBondContact O-N 3.32Å; I393-A396 VanDerWaalsContact O-N 3.14Å; I393-E397 HydrophobicContact CG2-CG 4.42Å; I393-E397 WeakPolarHBondContact O-CG 3.44Å; I393-E397 PolarHBondContact O-N 2.98Å
394	T	91.9	Very high	88.8	Confident	61 Å²	61	83.6 Å²	83.6	37%	0.374	43%	0.43	S	S	.	.	H	α-helix	trans	-58.7	-41.4	178.9	-54.9	0	0	0	0	111.5	S390 A391 E397 Q398	S390-T394 PolarHBondContact O-N 2.99Å; S390-T394 PolarHBondContact O-OG1 2.86Å; A391-T394 PolarHBondContact O-N 3.48Å; T394-E397 PolarHBondContact O-N 3.23Å; T394-Q398 WeakPolarHBondContact O-CB 3.25Å; T394-Q398 VanDerWaalsContact O-CG 3.28Å; T394-Q398 WeakPolarHBondContact O-CG 3.42Å; T394-Q398 PolarHBondContact O-N 3.23Å
395	Q	89.2	Confident	88.7	Confident	69 Å²	69	86.7 Å²	86.7	32%	0.322	44%	0.444	S	S	.	.	H	α-helix	trans	-67.3	-39	177.6	-172.9	174.6	17.4	0	0	112.6	A391 L392 I393 S399 V415	A391-Q395 WeakPolarHBondContact O-CB 3.4Å; A391-Q395 PolarHBondContact O-N 2.96Å; L392-Q395 PolarHBondContact O-N 2.99Å; I393-Q395 VanDerWaalsContact C-N 3.29Å; I393-Q395 PolarHBondContact O-N 3.1Å; Q395-S399 WeakPolarHBondContact O-CB 3.12Å; Q395-S399 PolarHBondContact O-N 2.79Å; Q395-S399 PolarHBondContact O-OG 2.8Å; Q395-V415 HydrophobicContact CG-CG1 4.4Å; Q395-V415 HydrophobicContact CG-CG2 3.93Å
396	A	89.3	Confident	88.7	Confident	22 Å²	22	89.4 Å²	89.4	18%	0.182	47%	0.468	C	S	.	.	H	α-helix	trans	-63.5	-46.7	174.1	0	0	0	0	0	111.1	L392 I393 Q398 S399 L400 V415 V419	L392-A396 WeakPolarHBondContact O-CB 3.48Å; L392-A396 PolarHBondContact O-N 2.86Å; I393-A396 WeakPolarHBondContact O-CB 3.3Å; I393-A396 PolarHBondContact O-N 3.32Å; I393-A396 VanDerWaalsContact O-N 3.14Å; A396-Q398 PolarHBondContact O-N 3.16Å; A396-S399 PolarHBondContact O-N 3.03Å; A396-L400 VanDerWaalsContact O-CG 3.3Å; A396-L400 WeakPolarHBondContact O-CG 3.39Å; A396-L400 PolarHBondContact O-N 2.82Å; A396-V415 HydrophobicContact CB-CG1 3.9Å; A396-V419 HydrophobicContact CB-CG2 4.13Å
397	E	91	Very high	88.6	Confident	97 Å²	97	90.5 Å²	90.5	45%	0.453	46%	0.464	S	S	.	.	H	α-helix	trans	-61.1	-41.6	176.3	-72.3	-177.2	177.2	0	0	112.9	I393 T394 L400 K401	I393-E397 HydrophobicContact CG2-CG 4.42Å; I393-E397 WeakPolarHBondContact O-CG 3.44Å; I393-E397 PolarHBondContact O-N 2.98Å; T394-E397 PolarHBondContact O-N 3.23Å; E397-L400 PolarHBondContact O-N 2.84Å; E397-K401 WeakPolarHBondContact O-CG 3.49Å; E397-K401 PolarHBondContact O-N 3.06Å
398	Q	89.6	Confident	88.6	Confident	130 Å²	130	87.5 Å²	87.5	61%	0.607	45%	0.448	S	S	*	.	H	α-helix	trans	-64	-43.4	176.4	-76.7	175.1	-2.1	0	0	111.6	T394 A396 L400 K401 E402	T394-Q398 WeakPolarHBondContact O-CB 3.25Å; T394-Q398 VanDerWaalsContact O-CG 3.28Å; T394-Q398 WeakPolarHBondContact O-CG 3.42Å; T394-Q398 PolarHBondContact O-N 3.23Å; A396-Q398 PolarHBondContact O-N 3.16Å; Q398-L400 VanDerWaalsContact C-N 3.31Å; Q398-L400 PolarHBondContact O-N 2.78Å; Q398-K401 PolarHBondContact O-N 2.83Å; Q398-K401 VanDerWaalsContact O-N 3.12Å; Q398-E402 PolarHBondContact O-N 2.86Å
399	S	89.6	Confident	88.6	Confident	16 Å²	16	86.1 Å²	86.1	11%	0.112	45%	0.452	C	S	.	.	H	α-helix	trans	-63.9	-38.2	177.9	-55.1	0	0	0	0	111.3	Q395 A396 K401 E402 F408	Q395-S399 WeakPolarHBondContact O-CB 3.12Å; Q395-S399 PolarHBondContact O-N 2.79Å; Q395-S399 PolarHBondContact O-OG 2.8Å; A396-S399 PolarHBondContact O-N 3.03Å; S399-K401 PolarHBondContact O-N 3.24Å; S399-E402 WeakPolarHBondContact O-CB 3.4Å; S399-E402 PolarHBondContact O-N 2.89Å; S399-F408 WeakPolarHBondContact O-CD2 3.41Å; S399-F408 WeakPolarHBondContact O-CE2 3.33Å
400	L	87.8	Confident	88.4	Confident	136 Å²	136	92.3 Å²	92.3	71%	0.712	48%	0.478	S	S	*	.	H	α-helix	trans	-67.3	-21.1	175.4	-71	171.1	0	0	0	113.8	A396 E397 Q398	A396-L400 VanDerWaalsContact O-CG 3.3Å; A396-L400 WeakPolarHBondContact O-CG 3.39Å; A396-L400 PolarHBondContact O-N 2.82Å; E397-L400 PolarHBondContact O-N 2.84Å; Q398-L400 VanDerWaalsContact C-N 3.31Å; Q398-L400 PolarHBondContact O-N 2.78Å
401	K	90.1	Very high	88.2	Confident	151 Å²	151	91 Å²	91	66%	0.657	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	0.9	177.8	-69.6	172.2	-176.9	169.6	0	113.4	E397 Q398 S399	E397-K401 WeakPolarHBondContact O-CG 3.49Å; E397-K401 PolarHBondContact O-N 3.06Å; Q398-K401 PolarHBondContact O-N 2.83Å; Q398-K401 VanDerWaalsContact O-N 3.12Å; S399-K401 PolarHBondContact O-N 3.24Å
402	E	89.6	Confident	88.1	Confident	70 Å²	70	89.3 Å²	89.3	33%	0.327	45%	0.454	S	S	.	.			trans	-71.4	130.4	179.6	-179.9	56.9	-94.5	0	0	110.9	Q398 S399 D404 R407 F408	Q398-E402 PolarHBondContact O-N 2.86Å; S399-E402 WeakPolarHBondContact O-CB 3.4Å; S399-E402 PolarHBondContact O-N 2.89Å; E402-D404 PolarHBondContact OE1-N 3.28Å; E402-R407 HydrophobicContact CG-CB 4.16Å; E402-F408 HydrophobicContact CB-CB 4.45Å; E402-F408 HydrophobicContact CB-CD2 4.44Å; E402-F408 HydrophobicContact CG-CB 4.2Å
403	N	87.1	Confident	87.9	Confident	144 Å²	144	97 Å²	97	77%	0.77	48%	0.482	S	S	*	.			trans	-98.9	-20.2	-176.5	-65.1	-63.8	0	0	0	112.1	H405	N403-H405 PolarHBondContact O-N 2.57Å; N403-H405 PolarHBondContact O-ND1 2.91Å
404	D	91.5	Very high	87.8	Confident	65 Å²	65	97.1 Å²	97.1	35%	0.348	48%	0.483	S	S	.	.			trans	-78	116.2	174.2	-174.5	-58.9	0	0	0	110.7	E402 A406 R407 F408	E402-D404 PolarHBondContact OE1-N 3.28Å; D404-A406 VanDerWaalsContact C-N 3.32Å; D404-A406 PolarHBondContact O-N 2.99Å; D404-A406 PolarHBondContact OD1-N 2.79Å; D404-R407 HydrophobicContact CB-CB 4.14Å; D404-R407 HydrophobicContact CB-CG 4.16Å; D404-R407 PolarHBondContact O-N 2.82Å; D404-R407 PolarHBondContact OD1-N 3.09Å; D404-F408 VanDerWaalsContact O-CB 3.31Å; D404-F408 WeakPolarHBondContact O-CB 3.27Å; D404-F408 PolarHBondContact O-N 2.8Å
405	H	85.9	Confident	87.7	Confident	155 Å²	155	94.6 Å²	94.6	72%	0.718	47%	0.468	S	S	*	.	H	α-helix	trans	-66.8	-32.8	-172.1	-65.7	51.2	0	0	0	112.6	N403 L409	N403-H405 PolarHBondContact O-N 2.57Å; N403-H405 PolarHBondContact O-ND1 2.91Å; H405-L409 WeakPolarHBondContact O-CB 3.32Å; H405-L409 VanDerWaalsContact O-CG 3.29Å; H405-L409 WeakPolarHBondContact O-CG 3.28Å; H405-L409 PolarHBondContact O-N 2.71Å; H405-L409 VanDerWaalsContact O-N 3.09Å
406	A	86.3	Confident	87.6	Confident	71 Å²	71	94.2 Å²	94.2	59%	0.587	48%	0.476	S	S	*	.	H	α-helix	trans	-74.3	-42.6	179.7	0	0	0	0	0	110.9	D404 Q410	D404-A406 VanDerWaalsContact C-N 3.32Å; D404-A406 PolarHBondContact O-N 2.99Å; D404-A406 PolarHBondContact OD1-N 2.79Å; A406-Q410 WeakPolarHBondContact O-CB 3.46Å; A406-Q410 PolarHBondContact O-N 2.86Å; A406-Q410 VanDerWaalsContact O-N 3.09Å
407	R	83.9	Confident	87.5	Confident	147 Å²	147	97.9 Å²	97.9	56%	0.555	49%	0.49	S	S	*	.	H	α-helix	trans	-67.6	-37.3	175.2	-65.2	-169	-158	148.9	4.9	112.6	E402 D404 Q410 S411	E402-R407 HydrophobicContact CG-CB 4.16Å; D404-R407 HydrophobicContact CB-CB 4.14Å; D404-R407 HydrophobicContact CB-CG 4.16Å; D404-R407 PolarHBondContact O-N 2.82Å; D404-R407 PolarHBondContact OD1-N 3.09Å; R407-Q410 PolarHBondContact O-N 3.18Å; R407-S411 WeakPolarHBondContact O-CB 3.42Å; R407-S411 PolarHBondContact O-N 2.68Å; R407-S411 PolarHBondContact O-OG 3Å
408	F	89.2	Confident	87.3	Confident	73 Å²	73	98.6 Å²	98.6	32%	0.32	49%	0.488	S	S	.	.	H	α-helix	trans	-60.3	-54.4	174.3	177.5	-100	0	0	0	110.8	S399 E402 D404 Q410 S411 A412	S399-F408 WeakPolarHBondContact O-CD2 3.41Å; S399-F408 WeakPolarHBondContact O-CE2 3.33Å; E402-F408 HydrophobicContact CB-CB 4.45Å; E402-F408 HydrophobicContact CB-CD2 4.44Å; E402-F408 HydrophobicContact CG-CB 4.2Å; D404-F408 VanDerWaalsContact O-CB 3.31Å; D404-F408 WeakPolarHBondContact O-CB 3.27Å; D404-F408 PolarHBondContact O-N 2.8Å; F408-Q410 PolarHBondContact O-N 3.31Å; F408-S411 PolarHBondContact O-N 2.96Å; F408-S411 PolarHBondContact O-OG 2.91Å; F408-A412 HydrophobicContact CD1-CB 4.36Å; F408-A412 HydrophobicContact CD2-CB 4.09Å; F408-A412 HydrophobicContact CE1-CB 4.06Å; F408-A412 HydrophobicContact CE2-CB 3.78Å; F408-A412 HydrophobicContact CG-CB 4.37Å; F408-A412 HydrophobicContact CZ-CB 3.77Å; F408-A412 WeakPolarHBondContact O-CB 3.36Å; F408-A412 PolarHBondContact O-N 3.3Å
409	L	84.6	Confident	87.2	Confident	129 Å²	129	94.9 Å²	94.9	68%	0.675	47%	0.474	S	S	*	.	H	α-helix	trans	-61.2	-32.7	-179.5	-72	171.9	0	0	0	112.9	H405	H405-L409 WeakPolarHBondContact O-CB 3.32Å; H405-L409 VanDerWaalsContact O-CG 3.29Å; H405-L409 WeakPolarHBondContact O-CG 3.28Å; H405-L409 PolarHBondContact O-N 2.71Å; H405-L409 VanDerWaalsContact O-N 3.09Å
410	Q	83.2	Confident	87	Confident	164 Å²	164	96.6 Å²	96.6	77%	0.766	49%	0.489	S	S	*	.	H	α-helix	trans	-72.1	-36	177.3	-168.5	177.2	19.4	0	0	113.2	A406 R407 F408	A406-Q410 WeakPolarHBondContact O-CB 3.46Å; A406-Q410 PolarHBondContact O-N 2.86Å; A406-Q410 VanDerWaalsContact O-N 3.09Å; R407-Q410 PolarHBondContact O-N 3.18Å; F408-Q410 PolarHBondContact O-N 3.31Å
411	S	85.3	Confident	86.8	Confident	42 Å²	42	97 Å²	97	29%	0.294	49%	0.49	S	S	.	.	H	α-helix	trans	-98.4	-36.6	-173.2	60	0	0	0	0	114	R407 F408 R413 N414 V415	R407-S411 WeakPolarHBondContact O-CB 3.42Å; R407-S411 PolarHBondContact O-N 2.68Å; R407-S411 PolarHBondContact O-OG 3Å; F408-S411 PolarHBondContact O-N 2.96Å; F408-S411 PolarHBondContact O-OG 2.91Å; S411-R413 VanDerWaalsContact C-N 3.33Å; S411-R413 PolarHBondContact O-N 2.72Å; S411-N414 PolarHBondContact O-N 3.1Å; S411-V415 WeakPolarHBondContact O-CG2 3.44Å; S411-V415 PolarHBondContact O-N 2.86Å
412	A	86.6	Confident	86.5	Confident	23 Å²	23	90.4 Å²	90.4	19%	0.19	46%	0.463	C	S	.	.	H	α-helix	trans	-61.1	-39	-173.2	0	0	0	0	0	112.6	F408 V415 A416	F408-A412 HydrophobicContact CD1-CB 4.36Å; F408-A412 HydrophobicContact CD2-CB 4.09Å; F408-A412 HydrophobicContact CE1-CB 4.06Å; F408-A412 HydrophobicContact CE2-CB 3.78Å; F408-A412 HydrophobicContact CG-CB 4.37Å; F408-A412 HydrophobicContact CZ-CB 3.77Å; F408-A412 WeakPolarHBondContact O-CB 3.36Å; F408-A412 PolarHBondContact O-N 3.3Å; A412-V415 PolarHBondContact O-N 3.04Å; A412-A416 WeakPolarHBondContact O-CB 3.49Å; A412-A416 PolarHBondContact O-N 3.08Å
413	R	85.2	Confident	86.1	Confident	184 Å²	184	91.4 Å²	91.4	69%	0.694	47%	0.474	S	S	*	.	H	α-helix	trans	-62	-45.8	177.4	-177.2	177.9	174	170.2	1.8	112	S411 A416 E417	S411-R413 VanDerWaalsContact C-N 3.33Å; S411-R413 PolarHBondContact O-N 2.72Å; R413-A416 PolarHBondContact O-N 3.09Å; R413-E417 WeakPolarHBondContact CG-OE1 3.37Å; R413-E417 IonicContact CZ-OE1 3.87Å; R413-E417 IonicContact NE-OE1 3.12Å; R413-E417 PolarHBondContact NE-OE1 2.92Å; R413-E417 IonicContact NH2-OE1 2.72Å; R413-E417 WeakPolarHBondContact O-CB 3.39Å; R413-E417 WeakPolarHBondContact O-CG 3.27Å; R413-E417 PolarHBondContact O-N 3.17Å
414	N	87.6	Confident	85.6	Confident	91 Å²	91	88.9 Å²	88.9	49%	0.487	47%	0.473	S	S	.	.	H	α-helix	trans	-66.6	-43.9	-179.5	-173.2	-54.2	0	0	0	111.3	S411 E417 R418	S411-N414 PolarHBondContact O-N 3.1Å; N414-E417 PolarHBondContact O-N 2.87Å; N414-R418 WeakPolarHBondContact O-CG 3.49Å; N414-R418 PolarHBondContact O-N 3.46Å; N414-R418 VanDerWaalsContact OD1-CD 3.27Å; N414-R418 WeakPolarHBondContact OD1-CD 3.44Å
415	V	89.4	Confident	84.8	Confident	8 Å²	8	87.7 Å²	87.7	5%	0.048	47%	0.47	C	S	.	.	H	α-helix	trans	-67.6	-40.3	178.7	179.5	0	0	0	0	111.2	Q395 A396 S411 A412 R418 V419	Q395-V415 HydrophobicContact CG-CG1 4.4Å; Q395-V415 HydrophobicContact CG-CG2 3.93Å; A396-V415 HydrophobicContact CB-CG1 3.9Å; S411-V415 WeakPolarHBondContact O-CG2 3.44Å; S411-V415 PolarHBondContact O-N 2.86Å; A412-V415 PolarHBondContact O-N 3.04Å; V415-R418 PolarHBondContact O-N 3.1Å; V415-V419 HydrophobicContact CG1-CG2 4.4Å; V415-V419 VanDerWaalsContact O-CG2 3.32Å; V415-V419 WeakPolarHBondContact O-CG2 3.38Å; V415-V419 PolarHBondContact O-N 3.3Å
416	A	86.8	Confident	83.7	Confident	61 Å²	61	84.5 Å²	84.5	50%	0.504	47%	0.465	S	S	.	.	H	α-helix	trans	-62.7	-43.1	174.5	0	0	0	0	0	112.2	A412 R413 R418 V419 A420	A412-A416 WeakPolarHBondContact O-CB 3.49Å; A412-A416 PolarHBondContact O-N 3.08Å; R413-A416 PolarHBondContact O-N 3.09Å; A416-R418 VanDerWaalsContact C-N 3.35Å; A416-R418 PolarHBondContact O-N 3.37Å; A416-V419 PolarHBondContact O-N 3.49Å; A416-A420 VanDerWaalsContact O-CB 3.26Å; A416-A420 WeakPolarHBondContact O-CB 3.4Å; A416-A420 PolarHBondContact O-N 3.33Å
417	E	87.8	Confident	82.5	Confident	98 Å²	98	89.3 Å²	89.3	46%	0.458	48%	0.475	S	S	.	.	H	α-helix	trans	-61.6	-41.8	174.1	-76.5	172.6	-167.3	0	0	111.2	R413 N414 A420 M421	R413-E417 WeakPolarHBondContact CG-OE1 3.37Å; R413-E417 IonicContact CZ-OE1 3.87Å; R413-E417 IonicContact NE-OE1 3.12Å; R413-E417 PolarHBondContact NE-OE1 2.92Å; R413-E417 IonicContact NH2-OE1 2.72Å; R413-E417 WeakPolarHBondContact O-CB 3.39Å; R413-E417 WeakPolarHBondContact O-CG 3.27Å; R413-E417 PolarHBondContact O-N 3.17Å; N414-E417 PolarHBondContact O-N 2.87Å; E417-A420 PolarHBondContact O-N 3.19Å; E417-M421 WeakPolarHBondContact O-CB 3.47Å; E417-M421 WeakPolarHBondContact O-CG 3.35Å; E417-M421 PolarHBondContact O-N 3.49Å
418	R	87.1	Confident	81.5	Confident	113 Å²	113	86.2 Å²	86.2	43%	0.426	47%	0.472	S	S	.	.	H	α-helix	trans	-67.1	-39	177.2	-73.3	175.9	62.7	-152.2	-7.2	113.3	L392 N414 V415 A416 A422	L392-R418 HydrophobicContact CD1-CB 4Å; N414-R418 WeakPolarHBondContact O-CG 3.49Å; N414-R418 PolarHBondContact O-N 3.46Å; N414-R418 VanDerWaalsContact OD1-CD 3.27Å; N414-R418 WeakPolarHBondContact OD1-CD 3.44Å; V415-R418 PolarHBondContact O-N 3.1Å; A416-R418 VanDerWaalsContact C-N 3.35Å; A416-R418 PolarHBondContact O-N 3.37Å; R418-A422 WeakPolarHBondContact O-CB 3.36Å; R418-A422 PolarHBondContact O-N 3.32Å
419	V	86.8	Confident	80.1	Confident	51 Å²	51	85.7 Å²	85.7	31%	0.309	47%	0.472	S	S	.	.	H	α-helix	trans	-67.3	-43.5	173.9	172.2	0	0	0	0	110.7	L392 A396 V415 A416 M421 A422 T423	L392-V419 HydrophobicContact CD1-CG2 4.13Å; L392-V419 HydrophobicContact CD2-CG2 4.14Å; L392-V419 HydrophobicContact CG-CG2 3.92Å; A396-V419 HydrophobicContact CB-CG2 4.13Å; V415-V419 HydrophobicContact CG1-CG2 4.4Å; V415-V419 VanDerWaalsContact O-CG2 3.32Å; V415-V419 WeakPolarHBondContact O-CG2 3.38Å; V415-V419 PolarHBondContact O-N 3.3Å; A416-V419 PolarHBondContact O-N 3.49Å; V419-M421 VanDerWaalsContact C-N 3.35Å; V419-M421 PolarHBondContact O-N 3.47Å; V419-A422 PolarHBondContact O-N 3.34Å; V419-T423 HydrophobicContact CG1-CG2 4.3Å; V419-T423 WeakPolarHBondContact O-CB 3.48Å; V419-T423 WeakPolarHBondContact O-CG2 3.22Å; V419-T423 PolarHBondContact O-N 3.44Å; V419-T423 PolarHBondContact O-OG1 2.99Å
420	A	85.4	Confident	79.3	Confident	52 Å²	52	85 Å²	85	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-61.2	-42.9	175.9	0	0	0	0	0	111.6	A416 E417 T423 A424	A416-A420 VanDerWaalsContact O-CB 3.26Å; A416-A420 WeakPolarHBondContact O-CB 3.4Å; A416-A420 PolarHBondContact O-N 3.33Å; E417-A420 PolarHBondContact O-N 3.19Å; A420-T423 WeakPolarHBondContact CA-OG1 3.4Å; A420-T423 PolarHBondContact O-N 2.88Å; A420-T423 PolarHBondContact O-OG1 3.16Å; A420-T423 VanDerWaalsContact O-OG1 3.12Å; A420-A424 WeakPolarHBondContact O-CB 3.24Å; A420-A424 PolarHBondContact O-N 3.48Å
421	M	84.4	Confident	78.6	Confident	146 Å²	146	79.1 Å²	79.1	72%	0.719	44%	0.444	S	S	*	.	H	α-helix	trans	-65	-42.1	176.1	-71.3	-78.2	160.3	0	0	112.3	E417 V419 S425	E417-M421 WeakPolarHBondContact O-CB 3.47Å; E417-M421 WeakPolarHBondContact O-CG 3.35Å; E417-M421 PolarHBondContact O-N 3.49Å; V419-M421 VanDerWaalsContact C-N 3.35Å; V419-M421 PolarHBondContact O-N 3.47Å; M421-S425 PolarHBondContact O-N 3.43Å
422	A	82.3	Confident	77.8	Confident	11 Å²	11	84.7 Å²	84.7	9%	0.091	47%	0.471	C	S	.	.	H	α-helix	trans	-67.5	-37.8	177.4	0	0	0	0	0	112.5	L392 R418 V419 V428 L429	L392-A422 HydrophobicContact CD2-CB 3.73Å; R418-A422 WeakPolarHBondContact O-CB 3.36Å; R418-A422 PolarHBondContact O-N 3.32Å; V419-A422 PolarHBondContact O-N 3.34Å; A422-V428 HydrophobicContact CB-CG1 4.17Å; A422-L429 WeakPolarHBondContact O-CD1 3.48Å; A422-L429 WeakPolarHBondContact O-CG 3.21Å
423	T	81.4	Confident	77.1	Confident	92 Å²	92	86.4 Å²	86.4	56%	0.564	48%	0.479	S	S	*	.	H	α-helix	trans	-79.1	-28.8	179.7	50.8	0	0	0	0	113.4	V419 A420 S425 L429	V419-T423 HydrophobicContact CG1-CG2 4.3Å; V419-T423 WeakPolarHBondContact O-CB 3.48Å; V419-T423 WeakPolarHBondContact O-CG2 3.22Å; V419-T423 PolarHBondContact O-N 3.44Å; V419-T423 PolarHBondContact O-OG1 2.99Å; A420-T423 WeakPolarHBondContact CA-OG1 3.4Å; A420-T423 PolarHBondContact O-N 2.88Å; A420-T423 PolarHBondContact O-OG1 3.16Å; A420-T423 VanDerWaalsContact O-OG1 3.12Å; T423-S425 VanDerWaalsContact C-N 3.29Å; T423-S425 PolarHBondContact O-N 3.07Å; T423-L429 HydrophobicContact CG2-CD1 4.28Å
424	A	78	Confident	76.3	Confident	90 Å²	90	80.7 Å²	80.7	74%	0.744	46%	0.462	S	S	*	.	H	α-helix	trans	-71.8	-21	175.7	0	0	0	0	0	113.4	A420	A420-A424 WeakPolarHBondContact O-CB 3.24Å; A420-A424 PolarHBondContact O-N 3.48Å
425	S	73.9	Confident	75.4	Confident	41 Å²	41	80.9 Å²	80.9	29%	0.287	46%	0.463	S	S	.	.			trans	-111.6	105.6	178.2	-175.6	0	0	0	0	111.8	M421 T423 Q427 V428	M421-S425 PolarHBondContact O-N 3.43Å; T423-S425 VanDerWaalsContact C-N 3.29Å; T423-S425 PolarHBondContact O-N 3.07Å; S425-Q427 PolarHBondContact O-N 2.89Å; S425-Q427 VanDerWaalsContact O-N 3.14Å; S425-V428 WeakPolarHBondContact O-CB 3.35Å; S425-V428 PolarHBondContact O-N 3.35Å
426	S	62.3	Low	74.3	Confident	88 Å²	88	86.9 Å²	86.9	62%	0.615	50%	0.495	S	S	*	.	H	α-helix	trans	-58.8	-27.8	177.3	-165	0	0	0	0	113	V428 I430	S426-V428 VanDerWaalsContact C-N 3.3Å; S426-V428 PolarHBondContact O-N 3.34Å; S426-I430 PolarHBondContact O-N 2.85Å
427	Q	61	Low	73.1	Confident	172 Å²	172	89 Å²	89	80%	0.804	49%	0.494	S	S	*	.	H	α-helix	trans	-72.8	-20.3	177.9	-70.4	176.6	-4.2	0	0	113.4	S425	S425-Q427 PolarHBondContact O-N 2.89Å; S425-Q427 VanDerWaalsContact O-N 3.14Å
428	V	62.8	Low	71.7	Confident	81 Å²	81	85.3 Å²	85.3	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-81.4	-27.8	-180	173.2	0	0	0	0	111.4	C385 A422 S425 S426	C385-V428 PolarHBondContact SG-O 3.14Å; A422-V428 HydrophobicContact CB-CG1 4.17Å; S425-V428 WeakPolarHBondContact O-CB 3.35Å; S425-V428 PolarHBondContact O-N 3.35Å; S426-V428 VanDerWaalsContact C-N 3.3Å; S426-V428 PolarHBondContact O-N 3.34Å
429	L	60	Low	70.4	Confident	62 Å²	62	86.7 Å²	86.7	33%	0.325	49%	0.489	S	S	.	.	H	α-helix	trans	-104	-25.9	-178.1	-69.8	170.2	0	0	0	114	C385 A422 T423	C385-L429 PolarHBondContact SG-O 2.97Å; A422-L429 WeakPolarHBondContact O-CD1 3.48Å; A422-L429 WeakPolarHBondContact O-CG 3.21Å; T423-L429 HydrophobicContact CG2-CD1 4.28Å
430	I	67.8	Low	69.2	Low	116 Å²	116	89.6 Å²	89.6	60%	0.595	50%	0.503	S	S	*	.	S	Bend	trans	-132.4	109	180	-54.6	177.3	0	0	0	108.4	S426	S426-I430 PolarHBondContact O-N 2.85Å
431	P	68.4	Low	68.2	Low	39 Å²	39	94.4 Å²	94.4	25%	0.253	52%	0.521	S	S	.	.			trans	-64.5	143.8	171.4	-17.7	31	0	0	0	110.7	C385 V433	C385-P431 HydrophobicContact CB-CG 3.92Å; P431-V433 PolarHBondContact O-N 2.79Å
432	D	69.7	Low	67.4	Low	159 Å²	159	92.6 Å²	92.6	85%	0.85	51%	0.51	S	S	*	.			trans	-71.1	114.3	173.3	-166	0.6	0	0	0	110
433	V	70.7	Confident	67.1	Low	60 Å²	60	96.7 Å²	96.7	36%	0.364	54%	0.544	S	S	.	.			trans	-106.1	100	-178	-176.6	0	0	0	0	109	P431 L435	P431-V433 PolarHBondContact O-N 2.79Å; V433-L435 HydrophobicContact CG1-CD2 3.8Å; V433-L435 HydrophobicContact CG1-CG 4.08Å; V433-L435 PolarHBondContact O-N 2.8Å
434	N	69.6	Low	67.3	Low	64 Å²	64	97.3 Å²	97.3	34%	0.342	54%	0.543	S	S	.	.			trans	-81	103	172.8	-174.3	-8.7	0	0	0	110.3	Q378 N436	Q378-N434 PolarHBondContact NE2-O 2.74Å; N434-N436 PolarHBondContact OD1-N 2.69Å
435	L	67.4	Low	67.8	Low	95 Å²	95	98.5 Å²	98.5	50%	0.497	54%	0.537	S	S	.	.			trans	-84	-21.4	177.2	-64.6	173.4	0	0	0	112.9	V433 A438 F439	V433-L435 HydrophobicContact CG1-CD2 3.8Å; V433-L435 HydrophobicContact CG1-CG 4.08Å; V433-L435 PolarHBondContact O-N 2.8Å; L435-A438 PolarHBondContact O-N 3.26Å; L435-F439 WeakPolarHBondContact O-CD2 3.16Å
436	N	66.4	Low	68.6	Low	134 Å²	134	100.8 Å²	100.8	72%	0.717	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-70.1	-39	-170.5	-70	-16.5	0	0	0	112.4	N434 A438 F439	N434-N436 PolarHBondContact OD1-N 2.69Å; N436-A438 PolarHBondContact O-N 2.97Å; N436-F439 PolarHBondContact O-N 3.36Å
437	E	61.4	Low	70	Confident	106 Å²	106	100.2 Å²	100.2	50%	0.495	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-65.3	-22.1	176.7	-74.2	-171.6	-165.3	0	0	113.9	K374 F439	K374-E437 IonicContact NZ-OE2 3.59Å; K374-E437 PolarHBondContact NZ-OE2 3.1Å; E437-F439 VanDerWaalsContact C-N 3.35Å
438	A	59.2	Low	71.4	Confident	19 Å²	19	100.4 Å²	100.4	16%	0.157	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-74.6	-28.7	-178.8	0	0	0	0	0	112	K371 L375 L435 N436	K371-A438 WeakPolarHBondContact CD-O 3.21Å; K371-A438 PolarHBondContact NZ-O 2.74Å; L375-A438 HydrophobicContact CD1-CB 4.25Å; L375-A438 HydrophobicContact CD2-CB 3.92Å; L375-A438 HydrophobicContact CG-CB 4.23Å; L435-A438 PolarHBondContact O-N 3.26Å; N436-A438 PolarHBondContact O-N 2.97Å
439	F	58.5	Low	72.8	Confident	143 Å²	143	100.4 Å²	100.4	63%	0.627	53%	0.526	S	S	*	.			trans	-109.5	12.2	-168.5	-62	-71.8	0	0	0	115.1	L435 N436 E437 N441	L435-F439 WeakPolarHBondContact O-CD2 3.16Å; N436-F439 PolarHBondContact O-N 3.36Å; E437-F439 VanDerWaalsContact C-N 3.35Å; F439-N441 PolarHBondContact O-N 2.93Å; F439-N441 VanDerWaalsContact O-N 3.08Å; F439-N441 PolarHBondContact O-OD1 2.78Å
440	D	63.1	Low	74.2	Confident	112 Å²	112	103.4 Å²	103.4	60%	0.599	54%	0.536	S	S	*	.			trans	-51.5	121.4	169.4	-77.6	-25.7	0	0	0	110.4	K371	K371-D440 PolarHBondContact NZ-O 2.8Å
441	N	64.3	Low	75.2	Confident	152 Å²	152	105.6 Å²	105.6	81%	0.813	54%	0.541	S	S	*	.			trans	-73.4	136.5	-173.1	-77.5	-27.1	0	0	0	111.2	F439 A443	F439-N441 PolarHBondContact O-N 2.93Å; F439-N441 VanDerWaalsContact O-N 3.08Å; F439-N441 PolarHBondContact O-OD1 2.78Å; N441-A443 PolarHBondContact O-N 2.87Å
442	F	68.2	Low	76.1	Confident	108 Å²	108	108.3 Å²	108.3	47%	0.474	55%	0.553	S	S	.	*			trans	-73.1	106.4	164.3	-72.1	-85.5	0	0	0	108.6	I364 S367	I364-F442 HydrophobicContact CB-CE1 4.36Å; I364-F442 HydrophobicContact CB-CZ 4.48Å; I364-F442 HydrophobicContact CG1-CD1 3.95Å; I364-F442 HydrophobicContact CG1-CE1 3.9Å; I364-F442 HydrophobicContact CG1-CZ 4.45Å; I364-F442 HydrophobicContact CG2-CE2 4.37Å; I364-F442 HydrophobicContact CG2-CZ 4.26Å; S367-F442 WeakPolarHBondContact OG-CZ 3.33Å
443	A	76.1	Confident	76.9	Confident	97 Å²	97	104 Å²	104	80%	0.802	53%	0.53	S	S	*	.			trans	-86.9	117	168.7	0	0	0	0	0	109.1	N441	N441-A443 PolarHBondContact O-N 2.87Å
444	L	84.9	Confident	77.7	Confident	105 Å²	105	108.8 Å²	108.8	55%	0.55	55%	0.548	S	S	.	.			trans	-106.5	109.6	169.7	-67.5	176.2	0	0	0	108	I360 F446	I360-L444 HydrophobicContact CG2-CD2 4.07Å; L444-F446 HydrophobicContact CB-CE2 4.06Å; L444-F446 HydrophobicContact CB-CZ 4.46Å; L444-F446 HydrophobicContact CD1-CE2 4.48Å; L444-F446 HydrophobicContact CD2-CE2 4.38Å; L444-F446 HydrophobicContact CD2-CZ 4.02Å
445	D	87.3	Confident	78.3	Confident	116 Å²	116	108.6 Å²	108.6	62%	0.62	56%	0.561	S	S	*	*			trans	-120.6	118.8	171.5	-174.7	7.5	0	0	0	108.8	S447	D445-S447 WeakPolarHBondContact OD1-CB 3.11Å; D445-S447 PolarHBondContact OD1-N 2.94Å; D445-S447 PolarHBondContact OD1-OG 3.31Å
446	F	92.1	Very high	78.9	Confident	89 Å²	89	109 Å²	109	39%	0.39	56%	0.563	S	S	.	*			trans	-118.8	17.8	177.1	-58.5	-62.8	0	0	0	111.3	I360 L444 R448 E449 K450	I360-F446 HydrophobicContact CD1-CE1 3.99Å; I360-F446 HydrophobicContact CD1-CZ 4.02Å; L444-F446 HydrophobicContact CB-CE2 4.06Å; L444-F446 HydrophobicContact CB-CZ 4.46Å; L444-F446 HydrophobicContact CD1-CE2 4.48Å; L444-F446 HydrophobicContact CD2-CE2 4.38Å; L444-F446 HydrophobicContact CD2-CZ 4.02Å; F446-R448 VanDerWaalsContact C-N 3.29Å; F446-R448 PolarHBondContact O-N 3.48Å; F446-E449 WeakPolarHBondContact CA-OE2 3.24Å; F446-E449 PolarHBondContact O-N 3.47Å; F446-K450 WeakPolarHBondContact O-CB 3.43Å; F446-K450 VanDerWaalsContact O-CG 3.26Å; F446-K450 WeakPolarHBondContact O-CG 2.94Å; F446-K450 PolarHBondContact O-N 2.88Å
447	S	90.9	Very high	79.3	Confident	75 Å²	75	108.9 Å²	108.9	52%	0.524	56%	0.562	S	S	.	*	H	α-helix	trans	-63.4	-36.8	-172.8	-55	0	0	0	0	111.9	D445 K451	D445-S447 WeakPolarHBondContact OD1-CB 3.11Å; D445-S447 PolarHBondContact OD1-N 2.94Å; D445-S447 PolarHBondContact OD1-OG 3.31Å; S447-K451 WeakPolarHBondContact O-CB 3.45Å; S447-K451 PolarHBondContact O-N 3.47Å; S447-K451 VanDerWaalsContact O-N 3.11Å
448	R	91.3	Very high	79.8	Confident	176 Å²	176	112 Å²	112	66%	0.664	57%	0.571	S	S	*	*	H	α-helix	trans	-65.6	-49.8	175.4	177.9	178.1	172.4	-90.2	-2.4	111.5	F446 K450 K451 I452	F446-R448 VanDerWaalsContact C-N 3.29Å; F446-R448 PolarHBondContact O-N 3.48Å; R448-K450 VanDerWaalsContact C-N 3.34Å; R448-K450 PolarHBondContact O-N 2.91Å; R448-K451 PolarHBondContact O-N 2.82Å; R448-I452 HydrophobicContact CG-CD1 4.19Å; R448-I452 WeakPolarHBondContact O-CG1 3.39Å; R448-I452 PolarHBondContact O-N 2.81Å; R448-I452 VanDerWaalsContact O-N 3.09Å
449	E	91.6	Very high	80.7	Confident	82 Å²	82	115.5 Å²	115.5	38%	0.383	59%	0.586	S	S	.	*	H	α-helix	trans	-63.8	-40	-179.1	-68.1	67	-149.3	0	0	111.2	F446 I452 L453	F446-E449 WeakPolarHBondContact CA-OE2 3.24Å; F446-E449 PolarHBondContact O-N 3.47Å; E449-I452 PolarHBondContact O-N 3.02Å; E449-L453 WeakPolarHBondContact O-CG 3.4Å; E449-L453 PolarHBondContact O-N 3.01Å
450	K	89.9	Confident	81.8	Confident	124 Å²	124	112 Å²	112	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-59.2	-46.5	173.2	-75.6	175.7	-179.5	-176.1	0	111.9	F446 R448 I452 L453 E454	F446-K450 WeakPolarHBondContact O-CB 3.43Å; F446-K450 VanDerWaalsContact O-CG 3.26Å; F446-K450 WeakPolarHBondContact O-CG 2.94Å; F446-K450 PolarHBondContact O-N 2.88Å; R448-K450 VanDerWaalsContact C-N 3.34Å; R448-K450 PolarHBondContact O-N 2.91Å; K450-I452 VanDerWaalsContact C-N 3.27Å; K450-I452 PolarHBondContact O-N 3.47Å; K450-L453 PolarHBondContact O-N 3.01Å; K450-L453 VanDerWaalsContact O-N 3.13Å; K450-E454 WeakPolarHBondContact O-CB 3.29Å; K450-E454 WeakPolarHBondContact O-CG 3.45Å; K450-E454 PolarHBondContact O-N 3.23Å
451	K	87.9	Confident	82.9	Confident	162 Å²	162	107.3 Å²	107.3	70%	0.704	55%	0.553	S	S	*	*	H	α-helix	trans	-62.4	-34.7	178.8	-169	176.1	-177.9	-179.2	0	112.6	S447 R448 G455	S447-K451 WeakPolarHBondContact O-CB 3.45Å; S447-K451 PolarHBondContact O-N 3.47Å; S447-K451 VanDerWaalsContact O-N 3.11Å; R448-K451 PolarHBondContact O-N 2.82Å; K451-G455 PolarHBondContact O-N 2.79Å
452	I	87.3	Confident	84	Confident	96 Å²	96	100.2 Å²	100.2	49%	0.492	52%	0.515	S	S	.	.	H	α-helix	trans	-67.6	-43.5	174.4	-65.8	166.1	0	0	0	110.5	R448 E449 K450 G455	R448-I452 HydrophobicContact CG-CD1 4.19Å; R448-I452 WeakPolarHBondContact O-CG1 3.39Å; R448-I452 PolarHBondContact O-N 2.81Å; R448-I452 VanDerWaalsContact O-N 3.09Å; E449-I452 PolarHBondContact O-N 3.02Å; K450-I452 VanDerWaalsContact C-N 3.27Å; K450-I452 PolarHBondContact O-N 3.47Å; I452-G455 PolarHBondContact O-N 2.91Å
453	L	87.8	Confident	85.1	Confident	70 Å²	70	98.7 Å²	98.7	37%	0.366	51%	0.512	S	S	.	.	H	α-helix	trans	-67.6	-36.8	177.6	-69.2	170.3	0	0	0	113	I353 E449 K450 G455 L456	I353-L453 HydrophobicContact CD1-CD1 3.71Å; I353-L453 HydrophobicContact CD1-CD2 4.27Å; E449-L453 WeakPolarHBondContact O-CG 3.4Å; E449-L453 PolarHBondContact O-N 3.01Å; K450-L453 PolarHBondContact O-N 3.01Å; K450-L453 VanDerWaalsContact O-N 3.13Å; L453-G455 PolarHBondContact O-N 3.26Å; L453-L456 HydrophobicContact CD2-CD1 3.96Å; L453-L456 WeakPolarHBondContact O-CB 3.46Å; L453-L456 WeakPolarHBondContact O-CD1 3.39Å; L453-L456 VanDerWaalsContact O-CG 3.29Å; L453-L456 WeakPolarHBondContact O-CG 3.48Å; L453-L456 PolarHBondContact O-N 2.77Å
454	E	86.1	Confident	85.9	Confident	160 Å²	160	97.8 Å²	97.8	75%	0.748	50%	0.498	S	S	*	.	H	α-helix	trans	-66	-22.4	173.9	-74.3	170.5	179	0	0	112.5	K450	K450-E454 WeakPolarHBondContact O-CB 3.29Å; K450-E454 WeakPolarHBondContact O-CG 3.45Å; K450-E454 PolarHBondContact O-N 3.23Å
455	G	81.6	Confident	86.3	Confident	59 Å²	59	92.9 Å²	92.9	61%	0.608	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	8.6	176.1	0	0	0	0	0	114.6	K451 I452 L453 D457	K451-G455 PolarHBondContact O-N 2.79Å; I452-G455 PolarHBondContact O-N 2.91Å; L453-G455 PolarHBondContact O-N 3.26Å; G455-D457 PolarHBondContact O-N 3.46Å
456	L	81.2	Confident	86.7	Confident	104 Å²	104	90.3 Å²	90.3	55%	0.545	46%	0.464	S	S	.	.			trans	-67	119.4	173.3	-70.3	171.4	0	0	0	109.5	L349 L453	L349-L456 HydrophobicContact CD1-CD1 3.78Å; L349-L456 HydrophobicContact CD1-CD2 4.16Å; L453-L456 HydrophobicContact CD2-CD1 3.96Å; L453-L456 WeakPolarHBondContact O-CB 3.46Å; L453-L456 WeakPolarHBondContact O-CD1 3.39Å; L453-L456 VanDerWaalsContact O-CG 3.29Å; L453-L456 WeakPolarHBondContact O-CG 3.48Å; L453-L456 PolarHBondContact O-N 2.77Å
457	D	74.4	Confident	86.9	Confident	131 Å²	131	87 Å²	87	70%	0.701	45%	0.45	S	S	*	.			trans	-136.9	165.9	178	-155.5	-2.6	0	0	0	109.5	G455 L459	G455-D457 PolarHBondContact O-N 3.46Å; D457-L459 PolarHBondContact O-N 2.97Å
458	Y	72.5	Confident	87.2	Confident	172 Å²	172	88.2 Å²	88.2	68%	0.675	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-61.5	137.1	175.8	64.3	-83.3	0	0	0	109.8	T460	Y458-T460 HydrophobicContact CD2-CG2 3.78Å; Y458-T460 HydrophobicContact CE2-CG2 3.28Å; Y458-T460 PolarHBondContact O-N 3.2Å; Y458-T460 VanDerWaalsContact O-N 3.08Å
459	L	76.9	Confident	87.1	Confident	93 Å²	93	83.8 Å²	83.8	49%	0.487	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-61.6	119.8	177.6	-172.7	70.5	0	0	0	108.7	D457 Q548 A549	D457-L459 PolarHBondContact O-N 2.97Å; L459-Q548 HydrophobicContact CD2-CB 3.84Å; L459-A549 HydrophobicContact CB-CB 4.1Å; L459-A549 HydrophobicContact CD2-CB 3.94Å; L459-A549 HydrophobicContact CG-CB 3.72Å; L459-A549 WeakPolarHBondContact O-CB 3.44Å
460	T	82.5	Confident	87.1	Confident	70 Å²	70	85.7 Å²	85.7	43%	0.429	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-97.9	160.5	171.2	53.9	0	0	0	0	110.4	Y458 N547 A549	Y458-T460 HydrophobicContact CD2-CG2 3.78Å; Y458-T460 HydrophobicContact CE2-CG2 3.28Å; Y458-T460 PolarHBondContact O-N 3.2Å; Y458-T460 VanDerWaalsContact O-N 3.08Å; T460-N547 PolarHBondContact O-ND2 3.21Å; T460-A549 VanDerWaalsContact C-CB 3.4Å
461	A	85.3	Confident	87.4	Confident	12 Å²	12	84.1 Å²	84.1	10%	0.099	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-52.5	144.7	164.5	0	0	0	0	0	109.5	R552	A461-R552 HydrophobicContact CB-CG 4.13Å
462	P	88.9	Confident	87.8	Confident	3 Å²	3	77.5 Å²	77.5	2%	0.019	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-61.2	157.9	-176.5	-18.9	32.2	0	0	0	111.3	V491 A545 N547 R552	P462-V491 HydrophobicContact CB-CG2 3.73Å; P462-V491 HydrophobicContact CG-CG2 4.07Å; P462-A545 HydrophobicContact CB-CB 3.9Å; P462-A545 HydrophobicContact CG-CB 4.16Å; P462-N547 VanDerWaalsContact CD-CG 3.45Å; P462-N547 HydrophobicContact CG-CB 3.83Å; P462-R552 WeakPolarHBondContact O-CB 3.45Å; P462-R552 WeakPolarHBondContact O-CG 3.24Å
463	N	89.7	Confident	88.1	Confident	76 Å²	76	76.9 Å²	76.9	41%	0.406	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-57.8	145.6	169.7	-73.4	-13.5	0	0	0	110.3	E486	N463-E486 PolarHBondContact ND2-OE2 2.98Å
464	P	92.8	Very high	88.4	Confident	79 Å²	79	75.4 Å²	75.4	51%	0.513	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-50.7	125.4	173.9	-28	35.7	0	0	0	111.2	R552 N553	P464-R552 HydrophobicContact CG-CB 4.12Å; P464-R552 HydrophobicContact CG-CG 4.46Å; P464-N553 WeakPolarHBondContact CB-O 3.4Å
465	P	94.9	Very high	88.8	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.013	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-67.5	152.1	173	27.7	-30.3	0	0	0	109.2	T484 Y494 V543 A545 S554	P465-T484 WeakPolarHBondContact CA-O 3.12Å; P465-Y494 HydrophobicContact CB-CE1 4.23Å; P465-V543 HydrophobicContact CB-CG1 4.22Å; P465-V543 HydrophobicContact CG-CB 4.02Å; P465-V543 HydrophobicContact CG-CG1 3.8Å; P465-V543 VanDerWaalsContact CG-O 3.28Å; P465-V543 WeakPolarHBondContact CG-O 3.37Å; P465-A545 HydrophobicContact CG-CB 3.98Å; P465-S554 VanDerWaalsContact O-CA 3.22Å; P465-S554 WeakPolarHBondContact O-CA 3.4Å; P465-S554 WeakPolarHBondContact O-CB 3.19Å
466	S	95.6	Very high	89.4	Confident	61 Å²	61	69.1 Å²	69.1	43%	0.427	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.5	177.8	-179.6	0	0	0	0	109.9	W483 T484	S466-W483 CarbonylContact O-C 3.43Å; S466-W483 WeakPolarHBondContact O-CA 3.43Å; S466-W483 VanDerWaalsContact O-CB 3.28Å; S466-W483 WeakPolarHBondContact O-CB 3.5Å; S466-T484 PolarHBondContact N-O 3.18Å; S466-T484 PolarHBondContact O-N 3.11Å
467	I	96.6	Very high	90	Very high	20 Å²	20	66.9 Å²	66.9	10%	0.103	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	132.1	172.7	-60.2	172.8	0	0	0	108.3	V481 H482 W483 F541 V543 S554 A557	I467-V481 HydrophobicContact CD1-CG1 4.31Å; I467-V481 HydrophobicContact CG1-CG1 4.36Å; I467-V481 HydrophobicContact CG2-CG1 3.76Å; I467-H482 WeakPolarHBondContact CA-O 3.41Å; I467-H482 WeakPolarHBondContact CG2-O 3.22Å; I467-W483 HydrophobicContact CG1-CB 4.41Å; I467-F541 HydrophobicContact CD1-CB 4.35Å; I467-V543 HydrophobicContact CD1-CG2 3.93Å; I467-V543 HydrophobicContact CG1-CB 4.43Å; I467-V543 HydrophobicContact CG1-CG2 3.81Å; I467-S554 WeakPolarHBondContact CD1-OG 3.4Å; I467-A557 HydrophobicContact CB-CB 3.98Å; I467-A557 HydrophobicContact CD1-CB 3.55Å; I467-A557 HydrophobicContact CG1-CB 4.36Å; I467-A557 HydrophobicContact CG2-CB 3.6Å
468	R	95.6	Very high	91.1	Very high	100 Å²	100	61.9 Å²	61.9	38%	0.377	33%	0.332	S	S	.	.			trans	-102.6	84.2	-178	-59.1	-62.3	-62.2	-155.5	-0.4	108.3	E470 L471 C472 H482 T484	R468-E470 IonicContact CZ-OE1 2.98Å; R468-E470 IonicContact NE-OE1 2.6Å; R468-E470 PolarHBondContact NE-OE1 2.83Å; R468-E470 IonicContact NH2-OE1 3.19Å; R468-E470 PolarHBondContact NH2-OE1 2.83Å; R468-E470 PolarHBondContact O-N 3.01Å; R468-E470 VanDerWaalsContact O-N 3.12Å; R468-L471 HydrophobicContact CB-CB 4.09Å; R468-L471 HydrophobicContact CB-CD1 3.89Å; R468-L471 HydrophobicContact CB-CG 4Å; R468-L471 HydrophobicContact CG-CD1 4.25Å; R468-L471 PolarHBondContact O-N 3.34Å; R468-C472 PolarHBondContact O-N 2.91Å; R468-C472 PolarHBondContact O-SG 2.74Å; R468-H482 PolarHBondContact N-O 2.86Å; R468-T484 HydrophobicContact CG-CG2 3.92Å
469	D	90.7	Very high	92.3	Very high	83 Å²	83	53.7 Å²	53.7	44%	0.444	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-52.9	-35.1	-176.2	-72	-7.2	0	0	0	112.4	L471 C472 A557	D469-L471 VanDerWaalsContact C-N 3.25Å; D469-L471 PolarHBondContact O-N 2.95Å; D469-C472 WeakPolarHBondContact O-CB 3.29Å; D469-C472 PolarHBondContact O-N 2.77Å; D469-A557 WeakPolarHBondContact OD1-CB 3.33Å
470	E	91.6	Very high	93.2	Very high	122 Å²	122	50 Å²	50	57%	0.57	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-70	-17.3	178	71	-78.5	-177.2	0	0	114.9	R468	R468-E470 IonicContact CZ-OE1 2.98Å; R468-E470 IonicContact NE-OE1 2.6Å; R468-E470 PolarHBondContact NE-OE1 2.83Å; R468-E470 IonicContact NH2-OE1 3.19Å; R468-E470 PolarHBondContact NH2-OE1 2.83Å; R468-E470 PolarHBondContact O-N 3.01Å; R468-E470 VanDerWaalsContact O-N 3.12Å
471	L	94.9	Very high	94	Very high	92 Å²	92	46.7 Å²	46.7	48%	0.482	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-99.1	-14.8	174.5	-60	-178.2	0	0	0	112	R468 D469 H482	R468-L471 HydrophobicContact CB-CB 4.09Å; R468-L471 HydrophobicContact CB-CD1 3.89Å; R468-L471 HydrophobicContact CB-CG 4Å; R468-L471 HydrophobicContact CG-CD1 4.25Å; R468-L471 PolarHBondContact O-N 3.34Å; D469-L471 VanDerWaalsContact C-N 3.25Å; D469-L471 PolarHBondContact O-N 2.95Å; L471-H482 HydrophobicContact CB-CB 3.76Å; L471-H482 PolarHBondContact O-CD2 3.45Å
472	C	95.8	Very high	94.6	Very high	22 Å²	22	48.6 Å²	48.6	15%	0.149	27%	0.268	C	S	.	.			trans	-67	141.5	177.7	-66.1	0	0	0	0	110.7	R468 D469 T480 H482 L559	R468-C472 PolarHBondContact O-N 2.91Å; R468-C472 PolarHBondContact O-SG 2.74Å; D469-C472 WeakPolarHBondContact O-CB 3.29Å; D469-C472 PolarHBondContact O-N 2.77Å; C472-T480 VanDerWaalsContact CA-O 3.25Å; C472-T480 WeakPolarHBondContact CA-O 2.86Å; C472-T480 WeakPolarHBondContact CB-O 3.11Å; C472-H482 PolarHBondContact SG-N 3.06Å; C472-H482 VanDerWaalsContact SG-N 3.38Å; C472-L559 HydrophobicContact CB-CD1 4.01Å; C472-L559 HydrophobicContact CB-CD2 4.12Å
473	T	95.5	Very high	95	Very high	83 Å²	83	48.7 Å²	48.7	51%	0.509	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.4	177	63	0	0	0	0	110.5	I479 T480	T473-I479 WeakPolarHBondContact O-CA 3.42Å; T473-T480 PolarHBondContact N-O 3.44Å; T473-T480 PolarHBondContact O-N 2.94Å; T473-T480 WeakPolarHBondContact OG1-CB 3.48Å
474	A	94.3	Very high	95.2	Very high	40 Å²	40	48 Å²	48	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.9	177.4	0	0	0	0	0	111.3	I479 K560 N562	A474-I479 HydrophobicContact CB-CG1 4.15Å; A474-K560 WeakPolarHBondContact CB-O 3.49Å; A474-N562 PolarHBondContact O-ND2 2.92Å
475	S	94.2	Very high	95.2	Very high	32 Å²	32	45 Å²	45	22%	0.224	25%	0.247	C	C	.	.			trans	-117.1	-170.8	163.2	88	0	0	0	0	108.9	D477 T478 T561 N562	S475-D477 VanDerWaalsContact C-N 3.34Å; S475-D477 PolarHBondContact OG-N 2.89Å; S475-D477 PolarHBondContact OG-OD1 3.04Å; S475-T478 WeakPolarHBondContact CB-OG1 3.29Å; S475-T478 PolarHBondContact N-O 2.94Å; S475-T478 PolarHBondContact OG-N 3.14Å; S475-T478 VanDerWaalsContact OG-N 3.08Å; S475-T478 PolarHBondContact OG-OG1 2.81Å; S475-T561 CarbonylContact O-C 3.56Å; S475-T561 WeakPolarHBondContact O-CA 3.43Å; S475-T561 WeakPolarHBondContact O-CB 3.16Å; S475-N562 PolarHBondContact O-N 2.97Å
476	H	92.9	Very high	94.6	Very high	54 Å²	54	53.1 Å²	53.1	25%	0.25	29%	0.285	C	S	.	.	S	Bend	trans	-70	-26.7	178.3	72.4	-61.9	0	0	0	114.2	S535 N562 S563 Q564 P565	H476-S535 WeakPolarHBondContact O-CA 3.27Å; H476-S535 WeakPolarHBondContact O-CB 3.33Å; H476-S535 PolarHBondContact O-OG 3.06Å; H476-N562 WeakPolarHBondContact CA-O 3.25Å; H476-S563 WeakPolarHBondContact CB-O 3.23Å; H476-Q564 PolarHBondContact CD2-NE2 2.9Å; H476-Q564 VanDerWaalsContact CD2-NE2 3.31Å; H476-P565 VanDerWaalsContact CG-CD 3.49Å
477	D	94.5	Very high	93.7	Very high	58 Å²	58	53.8 Å²	53.8	31%	0.31	28%	0.283	S	S	.	.	S	Bend	trans	-130.7	1.3	-176.6	69.6	-32.9	0	0	0	113.2	S475 H531 G532 L533	S475-D477 VanDerWaalsContact C-N 3.34Å; S475-D477 PolarHBondContact OG-N 2.89Å; S475-D477 PolarHBondContact OG-OD1 3.04Å; D477-H531 CarbonylContact O-C 3.6Å; D477-G532 PolarHBondContact O-N 2.93Å; D477-L533 WeakPolarHBondContact CA-O 3.41Å; D477-L533 PolarHBondContact O-N 2.87Å
478	T	96.5	Very high	92.6	Very high	25 Å²	25	57.9 Å²	57.9	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.6	179.6	71.1	0	0	0	0	112.8	S475 V530 H531	S475-T478 WeakPolarHBondContact CB-OG1 3.29Å; S475-T478 PolarHBondContact N-O 2.94Å; S475-T478 PolarHBondContact OG-N 3.14Å; S475-T478 VanDerWaalsContact OG-N 3.08Å; S475-T478 PolarHBondContact OG-OG1 2.81Å; T478-V530 WeakPolarHBondContact CA-O 3.49Å; T478-V530 WeakPolarHBondContact CB-O 3.35Å; T478-H531 HydrophobicContact CG2-CB 4.43Å; T478-H531 VanDerWaalsContact CG2-ND1 3.27Å; T478-H531 WeakPolarHBondContact CG2-ND1 3.35Å
479	I	97.6	Very high	91.7	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.5	168	-66	176.9	0	0	0	107.8	T473 A474 V481 T529 V530 L533 Y539 F541 L559 T561	T473-I479 WeakPolarHBondContact O-CA 3.42Å; A474-I479 HydrophobicContact CB-CG1 4.15Å; I479-V481 HydrophobicContact CG2-CG2 3.96Å; I479-T529 WeakPolarHBondContact O-CA 3.48Å; I479-V530 PolarHBondContact N-O 3.05Å; I479-V530 VanDerWaalsContact N-O 3.07Å; I479-V530 PolarHBondContact O-N 3.45Å; I479-L533 HydrophobicContact CB-CD1 3.76Å; I479-L533 HydrophobicContact CD1-CD1 3.81Å; I479-L533 HydrophobicContact CG1-CD1 3.6Å; I479-Y539 HydrophobicContact CD1-CD2 4.22Å; I479-F541 HydrophobicContact CB-CE2 4.47Å; I479-F541 HydrophobicContact CB-CZ 4.05Å; I479-F541 HydrophobicContact CD1-CE2 3.8Å; I479-F541 HydrophobicContact CD1-CZ 3.96Å; I479-F541 HydrophobicContact CG2-CE2 4.06Å; I479-F541 HydrophobicContact CG2-CZ 3.98Å; I479-L559 HydrophobicContact CD1-CB 4.01Å; I479-L559 HydrophobicContact CG2-CB 4.15Å; I479-L559 HydrophobicContact CG2-CD1 3.63Å; I479-T561 HydrophobicContact CD1-CG2 3.84Å; I479-T561 HydrophobicContact CG1-CG2 3.9Å
480	T	97.8	Very high	91.3	Very high	16 Å²	16	59.9 Å²	59.9	10%	0.098	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.9	169.1	-51.8	0	0	0	0	108.7	C472 T473 H482 Y528 T529	C472-T480 VanDerWaalsContact CA-O 3.25Å; C472-T480 WeakPolarHBondContact CA-O 2.86Å; C472-T480 WeakPolarHBondContact CB-O 3.11Å; T473-T480 PolarHBondContact N-O 3.44Å; T473-T480 PolarHBondContact O-N 2.94Å; T473-T480 WeakPolarHBondContact OG1-CB 3.48Å; T480-H482 WeakPolarHBondContact CG2-NE2 3.5Å; T480-Y528 WeakPolarHBondContact CA-O 3.44Å; T480-T529 WeakPolarHBondContact CG2-OG1 3.36Å; T480-T529 WeakPolarHBondContact OG1-CG2 3.49Å; T480-T529 PolarHBondContact OG1-OG1 3.04Å
481	V	98	Very high	91.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.1	178.3	-170.4	0	0	0	0	108.4	I467 I479 W483 L496 H527 Y528 F541 L559	I467-V481 HydrophobicContact CD1-CG1 4.31Å; I467-V481 HydrophobicContact CG1-CG1 4.36Å; I467-V481 HydrophobicContact CG2-CG1 3.76Å; I479-V481 HydrophobicContact CG2-CG2 3.96Å; V481-W483 HydrophobicContact CB-CE3 4.44Å; V481-W483 HydrophobicContact CB-CZ3 4.27Å; V481-W483 HydrophobicContact CG1-CE3 4.15Å; V481-W483 HydrophobicContact CG1-CZ3 4.4Å; V481-W483 VanDerWaalsContact O-CZ3 3.31Å; V481-W483 WeakPolarHBondContact O-CZ3 3.29Å; V481-L496 HydrophobicContact CB-CD1 4.29Å; V481-L496 HydrophobicContact CG1-CD1 4.24Å; V481-L496 HydrophobicContact CG2-CD1 4.34Å; V481-L496 HydrophobicContact CG2-CD2 4.36Å; V481-H527 CarbonylContact O-C 3.59Å; V481-H527 WeakPolarHBondContact O-CA 3.49Å; V481-H527 WeakPolarHBondContact O-CB 3.4Å; V481-Y528 PolarHBondContact N-O 2.83Å; V481-Y528 PolarHBondContact O-N 3.39Å; V481-F541 HydrophobicContact CG2-CD1 3.58Å; V481-F541 HydrophobicContact CG2-CD2 4.41Å; V481-F541 HydrophobicContact CG2-CE1 3.78Å; V481-F541 HydrophobicContact CG2-CG 3.93Å; V481-F541 HydrophobicContact CG2-CZ 4.28Å; V481-L559 HydrophobicContact CG1-CD1 4.47Å; V481-L559 HydrophobicContact CG2-CD1 3.97Å
482	H	98	Very high	91.2	Very high	51 Å²	51	54.2 Å²	54.2	24%	0.236	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.4	176.1	-76.1	-95	0	0	0	110.1	I467 R468 L471 C472 T480 H527	I467-H482 WeakPolarHBondContact CA-O 3.41Å; I467-H482 WeakPolarHBondContact CG2-O 3.22Å; R468-H482 PolarHBondContact N-O 2.86Å; L471-H482 HydrophobicContact CB-CB 3.76Å; L471-H482 PolarHBondContact O-CD2 3.45Å; C472-H482 PolarHBondContact SG-N 3.06Å; C472-H482 VanDerWaalsContact SG-N 3.38Å; T480-H482 WeakPolarHBondContact CG2-NE2 3.5Å; H482-H527 VanDerWaalsContact CE1-CB 3.48Å; H482-H527 WeakPolarHBondContact CE1-CB 3.42Å; H482-H527 AromaticContact CE1-CG 3.76Å; H482-H527 WeakPolarHBondContact ND1-CB 3.37Å
483	W	97.1	Very high	91.2	Very high	6 Å²	6	53.7 Å²	53.7	2%	0.023	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	169.6	177.1	59.2	91.7	0	0	0	112.3	S466 I467 V481 Y494 L496 I523 Q525 N526 H527 V543	S466-W483 CarbonylContact O-C 3.43Å; S466-W483 WeakPolarHBondContact O-CA 3.43Å; S466-W483 VanDerWaalsContact O-CB 3.28Å; S466-W483 WeakPolarHBondContact O-CB 3.5Å; I467-W483 HydrophobicContact CG1-CB 4.41Å; V481-W483 HydrophobicContact CB-CE3 4.44Å; V481-W483 HydrophobicContact CB-CZ3 4.27Å; V481-W483 HydrophobicContact CG1-CE3 4.15Å; V481-W483 HydrophobicContact CG1-CZ3 4.4Å; V481-W483 VanDerWaalsContact O-CZ3 3.31Å; V481-W483 WeakPolarHBondContact O-CZ3 3.29Å; W483-Y494 AromaticContact CD1-CE1 3.86Å; W483-Y494 AromaticContact CE2-CG 3.95Å; W483-Y494 HydrophobicContact CZ2-CD2 4.02Å; W483-Y494 AromaticContact CZ2-CG 3.95Å; W483-Y494 HydrophobicContact CZ2-CG 3.95Å; W483-Y494 AromaticContact NE1-CD1 3.41Å; W483-Y494 AromaticContact NE1-CD2 3.49Å; W483-Y494 AromaticContact NE1-CE1 3.45Å; W483-Y494 AromaticContact NE1-CE2 3.53Å; W483-Y494 AromaticContact NE1-CG 3.42Å; W483-Y494 AromaticContact NE1-CZ 3.52Å; W483-L496 HydrophobicContact CZ3-CD1 4.4Å; W483-I523 HydrophobicContact CH2-CD1 4.2Å; W483-I523 HydrophobicContact CH2-CG2 4Å; W483-I523 HydrophobicContact CZ2-CG2 3.93Å; W483-Q525 WeakPolarHBondContact CZ2-O 3.33Å; W483-N526 PolarHBondContact N-O 3.48Å; W483-N526 WeakPolarHBondContact O-CB 3.15Å; W483-H527 VanDerWaalsContact CH2-C 3.45Å; W483-V543 HydrophobicContact CB-CG2 4.37Å; W483-V543 HydrophobicContact CD2-CB 4.31Å; W483-V543 HydrophobicContact CD2-CG1 3.77Å; W483-V543 HydrophobicContact CD2-CG2 3.7Å; W483-V543 HydrophobicContact CE3-CG1 4.36Å; W483-V543 HydrophobicContact CE3-CG2 3.53Å; W483-V543 HydrophobicContact CG-CB 4.4Å; W483-V543 HydrophobicContact CG-CG1 3.93Å; W483-V543 HydrophobicContact CG-CG2 4.1Å; W483-V543 HydrophobicContact CZ2-CG1 4.14Å; W483-V543 HydrophobicContact CZ3-CG2 4Å
484	T	94.8	Very high	91.2	Very high	61 Å²	61	50.1 Å²	50.1	37%	0.374	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.3	175.8	53.7	0	0	0	0	110.7	P465 S466 R468	P465-T484 WeakPolarHBondContact CA-O 3.12Å; S466-T484 PolarHBondContact N-O 3.18Å; S466-T484 PolarHBondContact O-N 3.11Å; R468-T484 HydrophobicContact CG-CG2 3.92Å
485	S	91.4	Very high	91.4	Very high	15 Å²	15	49.6 Å²	49.6	11%	0.105	26%	0.255	C	S	.	.			trans	-124.5	136.5	173.1	-61.9	0	0	0	0	109.4	D487 Y494	S485-D487 VanDerWaalsContact C-N 3.31Å; S485-D487 PolarHBondContact O-N 2.89Å; S485-Y494 WeakPolarHBondContact CB-OH 3.32Å; S485-Y494 WeakPolarHBondContact OG-CE1 3.15Å; S485-Y494 PolarHBondContact OG-OH 2.92Å
486	E	82.3	Confident	91.5	Very high	173 Å²	173	48.1 Å²	48.1	81%	0.808	25%	0.245	S	C	*	.	S	Bend	trans	-66.4	-33.2	-178.9	-67.1	-179.3	161.9	0	0	112.8	N463	N463-E486 PolarHBondContact ND2-OE2 2.98Å
487	D	77.8	Confident	91.6	Very high	75 Å²	75	47 Å²	47	40%	0.401	24%	0.24	S	C	.	.			trans	-127.3	85.7	175.7	-177	6.5	0	0	0	110.7	S485 F489 S490	S485-D487 VanDerWaalsContact C-N 3.31Å; S485-D487 PolarHBondContact O-N 2.89Å; D487-F489 PolarHBondContact O-N 3.11Å; D487-F489 WeakPolarHBondContact OD1-CB 3.47Å; D487-F489 PolarHBondContact OD1-N 2.84Å; D487-F489 VanDerWaalsContact OD1-N 3.14Å; D487-S490 PolarHBondContact O-N 3.13Å; D487-S490 PolarHBondContact O-OG 3.07Å; D487-S490 PolarHBondContact OD1-N 3.35Å; D487-S490 WeakPolarHBondContact OD2-CB 3.44Å
488	E	73.4	Confident	91.6	Very high	106 Å²	106	45.7 Å²	45.7	50%	0.495	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-62.2	-26.2	177.7	-66.7	-174	167.5	0	0	113.2	S490 V491 N526	E488-S490 VanDerWaalsContact C-N 3.27Å; E488-S490 PolarHBondContact O-N 3.21Å; E488-V491 PolarHBondContact O-N 2.65Å; E488-N526 PolarHBondContact OE1-ND2 3.45Å
489	F	76.7	Confident	91.3	Very high	202 Å²	202	45.5 Å²	45.5	89%	0.886	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-72	-26.3	-179.5	-60	-77.8	0	0	0	111.8	D487 V491	D487-F489 PolarHBondContact O-N 3.11Å; D487-F489 WeakPolarHBondContact OD1-CB 3.47Å; D487-F489 PolarHBondContact OD1-N 2.84Å; D487-F489 VanDerWaalsContact OD1-N 3.14Å; F489-V491 VanDerWaalsContact C-N 3.31Å
490	S	82.7	Confident	90.9	Very high	23 Å²	23	48.5 Å²	48.5	16%	0.161	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-75	-17	175	74	0	0	0	0	113.9	D487 E488 N547	D487-S490 PolarHBondContact O-N 3.13Å; D487-S490 PolarHBondContact O-OG 3.07Å; D487-S490 PolarHBondContact OD1-N 3.35Å; D487-S490 WeakPolarHBondContact OD2-CB 3.44Å; E488-S490 VanDerWaalsContact C-N 3.27Å; E488-S490 PolarHBondContact O-N 3.21Å; S490-N547 WeakPolarHBondContact O-CB 3.43Å; S490-N547 PolarHBondContact O-ND2 3.01Å
491	V	90.6	Very high	90.1	Very high	22 Å²	22	51.2 Å²	51.2	13%	0.133	25%	0.254	C	S	.	.			trans	-94.5	122.4	-173.2	-174.9	0	0	0	0	111	P462 E488 F489 S493 Y494 A545	P462-V491 HydrophobicContact CB-CG2 3.73Å; P462-V491 HydrophobicContact CG-CG2 4.07Å; E488-V491 PolarHBondContact O-N 2.65Å; F489-V491 VanDerWaalsContact C-N 3.31Å; V491-S493 WeakPolarHBondContact CG1-O 3.39Å; V491-Y494 HydrophobicContact CG1-CD1 4.13Å; V491-Y494 HydrophobicContact CG1-CD2 4.43Å; V491-Y494 HydrophobicContact CG1-CE1 3.74Å; V491-Y494 HydrophobicContact CG1-CE2 4.07Å; V491-Y494 HydrophobicContact CG1-CG 4.46Å; V491-Y494 HydrophobicContact CG2-CE1 4.31Å; V491-A545 HydrophobicContact CG1-CB 4.22Å; V491-A545 HydrophobicContact CG2-CB 4.13Å
492	T	93.1	Very high	88.9	Confident	74 Å²	74	54.6 Å²	54.6	45%	0.454	28%	0.275	S	S	.	.	S	Bend	trans	-84.2	-40.4	174.2	-54.8	0	0	0	0	111.8	K524 I546	T492-K524 PolarHBondContact O-NZ 2.88Å; T492-I546 WeakPolarHBondContact CA-O 3.25Å; T492-I546 WeakPolarHBondContact CB-O 3.5Å; T492-I546 PolarHBondContact N-O 2.85Å
493	S	95.7	Very high	87	Confident	11 Å²	11	54.8 Å²	54.8	8%	0.077	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	164	175.9	51.5	0	0	0	0	111.3	V491 I546	V491-S493 WeakPolarHBondContact CG1-O 3.39Å; S493-I546 PolarHBondContact N-O 2.95Å; S493-I546 VanDerWaalsContact N-O 3.12Å; S493-I546 WeakPolarHBondContact O-CB 3.43Å; S493-I546 PolarHBondContact O-N 3.07Å
494	Y	96.9	Very high	84.8	Confident	7 Å²	7	63.7 Å²	63.7	3%	0.027	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	154	168.1	-56.7	-80.7	0	0	0	111.2	P465 W483 S485 V491 N522 I523 Q525 N526 V543 K544 A545	P465-Y494 HydrophobicContact CB-CE1 4.23Å; W483-Y494 AromaticContact CD1-CE1 3.86Å; W483-Y494 AromaticContact CE2-CG 3.95Å; W483-Y494 HydrophobicContact CZ2-CD2 4.02Å; W483-Y494 AromaticContact CZ2-CG 3.95Å; W483-Y494 HydrophobicContact CZ2-CG 3.95Å; W483-Y494 AromaticContact NE1-CD1 3.41Å; W483-Y494 AromaticContact NE1-CD2 3.49Å; W483-Y494 AromaticContact NE1-CE1 3.45Å; W483-Y494 AromaticContact NE1-CE2 3.53Å; W483-Y494 AromaticContact NE1-CG 3.42Å; W483-Y494 AromaticContact NE1-CZ 3.52Å; S485-Y494 WeakPolarHBondContact CB-OH 3.32Å; S485-Y494 WeakPolarHBondContact OG-CE1 3.15Å; S485-Y494 PolarHBondContact OG-OH 2.92Å; V491-Y494 HydrophobicContact CG1-CD1 4.13Å; V491-Y494 HydrophobicContact CG1-CD2 4.43Å; V491-Y494 HydrophobicContact CG1-CE1 3.74Å; V491-Y494 HydrophobicContact CG1-CE2 4.07Å; V491-Y494 HydrophobicContact CG1-CG 4.46Å; V491-Y494 HydrophobicContact CG2-CE1 4.31Å; Y494-N522 PolarHBondContact O-N 3.01Å; Y494-N522 VanDerWaalsContact O-N 3.17Å; Y494-I523 PolarHBondContact N-O 2.97Å; Y494-I523 PolarHBondContact O-N 2.9Å; Y494-Q525 WeakPolarHBondContact CD2-O 3.48Å; Y494-N526 VanDerWaalsContact CE2-OD1 3.25Å; Y494-N526 WeakPolarHBondContact CE2-OD1 3.45Å; Y494-N526 PolarHBondContact OH-OD1 3.07Å; Y494-V543 HydrophobicContact CD1-CG1 3.8Å; Y494-V543 HydrophobicContact CG-CG1 4.26Å; Y494-K544 CarbonylContact C-O 3.54Å; Y494-K544 WeakPolarHBondContact CA-O 3.44Å; Y494-A545 HydrophobicContact CD1-CB 3.98Å; Y494-A545 HydrophobicContact CE1-CB 3.86Å
495	E	96.9	Very high	82.5	Confident	30 Å²	30	63.4 Å²	63.4	14%	0.14	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.4	168.3	174.3	-178.7	99.7	0	0	108.1	Q497 I519 V520 K544 I546	E495-Q497 HydrophobicContact CG-CG 4.25Å; E495-Q497 PolarHBondContact OE1-NE2 3.38Å; E495-I519 HydrophobicContact CG-CG2 3.5Å; E495-V520 CarbonylContact C-O 3.46Å; E495-V520 WeakPolarHBondContact CA-O 3.31Å; E495-K544 HydrophobicContact CB-CB 4.22Å; E495-K544 PolarHBondContact N-O 3.17Å; E495-K544 PolarHBondContact O-N 3.32Å; E495-K544 IonicContact OE1-NZ 3.62Å; E495-I546 HydrophobicContact CB-CD1 3.81Å
496	L	96.9	Very high	80.4	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.1	175.6	-177.3	77.4	0	0	0	108.6	V481 W483 V520 I523 Y528 V530 F541 F542 V543	V481-L496 HydrophobicContact CB-CD1 4.29Å; V481-L496 HydrophobicContact CG1-CD1 4.24Å; V481-L496 HydrophobicContact CG2-CD1 4.34Å; V481-L496 HydrophobicContact CG2-CD2 4.36Å; W483-L496 HydrophobicContact CZ3-CD1 4.4Å; L496-V520 HydrophobicContact CB-CB 4.27Å; L496-V520 PolarHBondContact N-O 3.32Å; L496-V520 PolarHBondContact O-N 3.43Å; L496-I523 HydrophobicContact CB-CD1 3.6Å; L496-Y528 HydrophobicContact CD2-CD1 3.85Å; L496-Y528 HydrophobicContact CD2-CG 4.42Å; L496-V530 HydrophobicContact CD2-CG2 3.5Å; L496-F541 HydrophobicContact CD1-CD1 4.11Å; L496-F541 HydrophobicContact CD2-CD1 4.23Å; L496-F541 HydrophobicContact CD2-CE1 4.45Å; L496-F541 HydrophobicContact CG-CD1 4.3Å; L496-F542 CarbonylContact C-O 3.58Å; L496-F542 WeakPolarHBondContact CA-O 3.39Å; L496-F542 WeakPolarHBondContact CD1-O 3.42Å; L496-V543 HydrophobicContact CD1-CG2 3.58Å
497	Q	94.9	Very high	78.8	Confident	32 Å²	32	64.5 Å²	64.5	15%	0.15	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.8	175.6	-55.2	-175.4	-13.7	0	0	109.7	E495 W517 M518 I519 F541 F542	E495-Q497 HydrophobicContact CG-CG 4.25Å; E495-Q497 PolarHBondContact OE1-NE2 3.38Å; Q497-W517 HydrophobicContact CB-CE3 4.01Å; Q497-M518 CarbonylContact C-O 3.53Å; Q497-M518 VanDerWaalsContact CA-O 3.25Å; Q497-M518 WeakPolarHBondContact CA-O 3.44Å; Q497-I519 HydrophobicContact CG-CG1 4.21Å; Q497-I519 HydrophobicContact CG-CG2 4.43Å; Q497-F541 CarbonylContact O-C 3.52Å; Q497-F541 WeakPolarHBondContact O-CA 3.3Å; Q497-F542 HydrophobicContact CB-CB 4.38Å; Q497-F542 PolarHBondContact N-O 3.24Å; Q497-F542 PolarHBondContact O-N 3.45Å
498	Y	93.8	Very high	77.5	Confident	29 Å²	29	66.7 Å²	66.7	11%	0.114	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.9	177.2	68.9	-82.7	0	0	0	114.2	W517 M518 V520 V530 L533 Y539 I540 F541	Y498-W517 VanDerWaalsContact C-CE3 3.46Å; Y498-M518 HydrophobicContact CD1-CB 3.85Å; Y498-M518 HydrophobicContact CD2-CB 4.11Å; Y498-M518 HydrophobicContact CD2-CG 4.46Å; Y498-M518 HydrophobicContact CE1-CB 3.42Å; Y498-M518 VanDerWaalsContact CE1-CB 3.42Å; Y498-M518 HydrophobicContact CE1-CG 4.43Å; Y498-M518 HydrophobicContact CE2-CB 3.7Å; Y498-M518 HydrophobicContact CE2-CG 3.88Å; Y498-M518 HydrophobicContact CG-CB 4.17Å; Y498-M518 PolarHBondContact N-O 2.91Å; Y498-M518 PolarHBondContact O-N 3.08Å; Y498-V520 HydrophobicContact CE1-CG2 4.24Å; Y498-V530 HydrophobicContact CD1-CG1 4.33Å; Y498-V530 HydrophobicContact CD1-CG2 4.24Å; Y498-V530 HydrophobicContact CD2-CG1 4.48Å; Y498-V530 HydrophobicContact CE1-CG1 3.66Å; Y498-V530 HydrophobicContact CE1-CG2 4.1Å; Y498-V530 HydrophobicContact CE2-CG1 3.83Å; Y498-V530 WeakPolarHBondContact OH-CG1 3.27Å; Y498-L533 HydrophobicContact CD2-CD2 4.11Å; Y498-L533 HydrophobicContact CE2-CD2 3.62Å; Y498-Y539 HydrophobicContact CD2-CD1 4.13Å; Y498-Y539 HydrophobicContact CD2-CE1 4.45Å; Y498-I540 WeakPolarHBondContact CA-O 3.38Å; Y498-I540 WeakPolarHBondContact CB-O 3.22Å; Y498-F541 VanDerWaalsContact CB-CD1 3.4Å; Y498-F541 VanDerWaalsContact CB-CE1 3.45Å; Y498-F541 HydrophobicContact CD1-CE1 4.24Å; Y498-F541 HydrophobicContact CD2-CE1 4.34Å; Y498-F541 HydrophobicContact CG-CD1 4.17Å; Y498-F541 AromaticContact CG-CE1 3.77Å; Y498-F541 HydrophobicContact CG-CE1 3.77Å; Y498-F541 HydrophobicContact CG-CZ 4.45Å
499	T	91.6	Very high	76.4	Confident	21 Å²	21	64.7 Å²	64.7	13%	0.129	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	162.9	175.8	-161.9	0	0	0	0	111.3	S516 W517 Y539 I540	T499-S516 WeakPolarHBondContact CB-O 3.45Å; T499-S516 PolarHBondContact OG1-O 2.86Å; T499-W517 HydrophobicContact CG2-CD2 4.19Å; T499-W517 HydrophobicContact CG2-CE3 3.98Å; T499-W517 HydrophobicContact CG2-CH2 3.48Å; T499-W517 VanDerWaalsContact CG2-CH2 3.48Å; T499-W517 HydrophobicContact CG2-CZ2 3.77Å; T499-W517 HydrophobicContact CG2-CZ3 3.64Å; T499-Y539 WeakPolarHBondContact O-CA 3.3Å; T499-Y539 WeakPolarHBondContact O-CD1 3.4Å; T499-I540 PolarHBondContact N-O 2.83Å; T499-I540 VanDerWaalsContact N-O 3.11Å; T499-I540 PolarHBondContact O-N 2.87Å
500	I	87.6	Confident	75.1	Confident	64 Å²	64	56 Å²	56	33%	0.328	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.9	177.9	-64.9	167.4	0	0	0	109.4	T502 Q534 T537 Y539	I500-T502 PolarHBondContact O-N 2.7Å; I500-Q534 VanDerWaalsContact CD1-OE1 3.25Å; I500-T537 HydrophobicContact CG1-CG2 4.27Å; I500-T537 HydrophobicContact CG2-CG2 3.75Å; I500-Y539 HydrophobicContact CB-CE1 4.41Å; I500-Y539 HydrophobicContact CD1-CE1 4.42Å; I500-Y539 HydrophobicContact CG1-CD1 4.05Å; I500-Y539 HydrophobicContact CG1-CE1 3.39Å
501	Y	82.7	Confident	73.5	Confident	74 Å²	74	61.4 Å²	61.4	29%	0.29	33%	0.326	S	S	.	.			trans	-78	107.1	175.3	179.7	-114.5	0	0	0	110.9	R538 I540	Y501-R538 WeakPolarHBondContact CB-O 3.34Å; Y501-R538 HydrophobicContact CD1-CB 4.23Å; Y501-R538 PolarHBondContact N-O 2.97Å; Y501-I540 HydrophobicContact CD2-CD1 3.62Å; Y501-I540 HydrophobicContact CD2-CG1 4.08Å; Y501-I540 HydrophobicContact CE2-CD1 4.32Å
502	T	71.4	Confident	71.5	Confident	71 Å²	71	66.7 Å²	66.7	44%	0.436	35%	0.353	S	S	.	.			trans	-97.7	106	169	59	0	0	0	0	107.8	I500 Q504 T505	I500-T502 PolarHBondContact O-N 2.7Å; T502-Q504 PolarHBondContact O-N 3.18Å; T502-T505 PolarHBondContact O-N 3.25Å; T502-T505 PolarHBondContact O-OG1 3.24Å; T502-T505 PolarHBondContact OG1-OG1 3.34Å
503	G	59	Low	69.7	Low	55 Å²	55	65.3 Å²	65.3	57%	0.567	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	4.4	-173.2	0	0	0	0	0	117.2
504	Q	51.3	Low	67.6	Low	192 Å²	192	68.5 Å²	68.5	90%	0.897	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-6.9	-179.1	-65.8	-170.1	-13.6	0	0	114.7	T502	T502-Q504 PolarHBondContact O-N 3.18Å
505	T	45.9	Very low	65.7	Low	55 Å²	55	75.9 Å²	75.9	34%	0.337	41%	0.414	S	S	.	.	S	Bend	trans	-101.2	125	-178.3	49.8	0	0	0	0	111.3	T502 F507 L510	T502-T505 PolarHBondContact O-N 3.25Å; T502-T505 PolarHBondContact O-OG1 3.24Å; T502-T505 PolarHBondContact OG1-OG1 3.34Å; T505-F507 PolarHBondContact O-N 3.18Å; T505-L510 WeakPolarHBondContact OG1-CD1 2.99Å
506	N	46.5	Very low	64.7	Low	126 Å²	126	77 Å²	77	67%	0.674	43%	0.425	S	S	*	.			trans	-52.3	127.4	165.6	-80.7	-30.5	0	0	0	107.3	I508 S509	N506-I508 PolarHBondContact O-N 2.8Å; N506-S509 WeakPolarHBondContact O-CB 2.9Å; N506-S509 PolarHBondContact O-N 2.93Å; N506-S509 PolarHBondContact O-OG 3.41Å
507	F	50.3	Low	64.2	Low	85 Å²	85	78.4 Å²	78.4	37%	0.373	43%	0.43	S	S	.	.	H	α-helix	trans	-47.8	-30.8	179.5	176.9	-102.2	0	0	0	113.1	T505 S509 L510 Y511 F542 P556	T505-F507 PolarHBondContact O-N 3.18Å; F507-S509 VanDerWaalsContact C-N 3.33Å; F507-S509 PolarHBondContact O-N 3.26Å; F507-L510 PolarHBondContact O-N 2.92Å; F507-Y511 PolarHBondContact O-N 2.63Å; F507-F542 HydrophobicContact CE2-CE1 4.39Å; F507-F542 HydrophobicContact CE2-CE2 4.36Å; F507-F542 AromaticContact CE2-CZ 3.58Å; F507-F542 HydrophobicContact CE2-CZ 3.58Å; F507-F542 AromaticContact CZ-CE1 3.96Å; F507-F542 HydrophobicContact CZ-CE1 3.96Å; F507-F542 AromaticContact CZ-CZ 3.42Å; F507-F542 HydrophobicContact CZ-CZ 3.42Å; F507-F542 VanDerWaalsContact CZ-CZ 3.42Å; F507-P556 HydrophobicContact CE2-CB 3.75Å; F507-P556 HydrophobicContact CE2-CG 3.69Å; F507-P556 HydrophobicContact CZ-CB 3.99Å; F507-P556 HydrophobicContact CZ-CG 3.6Å
508	I	49	Very low	64.1	Low	122 Å²	122	82 Å²	82	63%	0.626	45%	0.448	S	S	*	.	H	α-helix	trans	-62.6	-34.1	176.1	-58.3	171.5	0	0	0	112.8	N506	N506-I508 PolarHBondContact O-N 2.8Å
509	S	49.9	Very low	64.1	Low	64 Å²	64	84.8 Å²	84.8	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-70.8	-35.7	178.7	-3.6	0	0	0	0	112.5	N506 F507	N506-S509 WeakPolarHBondContact O-CB 2.9Å; N506-S509 PolarHBondContact O-N 2.93Å; N506-S509 PolarHBondContact O-OG 3.41Å; F507-S509 VanDerWaalsContact C-N 3.33Å; F507-S509 PolarHBondContact O-N 3.26Å
510	L	50.6	Low	64.3	Low	20 Å²	20	85 Å²	85	11%	0.105	47%	0.465	C	S	.	.	H	α-helix	trans	-72.7	-32.7	176.8	-72	167.4	0	0	0	111.8	T505 F507 N512 S513 W517	T505-L510 WeakPolarHBondContact OG1-CD1 2.99Å; F507-L510 PolarHBondContact O-N 2.92Å; L510-N512 VanDerWaalsContact C-N 3.27Å; L510-N512 PolarHBondContact O-N 3.4Å; L510-S513 PolarHBondContact O-N 3.25Å; L510-W517 HydrophobicContact CB-CZ2 4.16Å; L510-W517 PolarHBondContact O-NE1 2.81Å
511	Y	49.8	Very low	64.7	Low	136 Å²	136	85.2 Å²	85.2	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-65.8	-29	177	-156.3	-91.2	0	0	0	112.8	F507 N553	F507-Y511 PolarHBondContact O-N 2.63Å; Y511-N553 PolarHBondContact OH-ND2 2.96Å
512	N	47.7	Very low	65.2	Low	132 Å²	132	87.3 Å²	87.3	71%	0.706	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.7	-178.2	-73	-26.8	0	0	0	114.4	L510	L510-N512 VanDerWaalsContact C-N 3.27Å; L510-N512 PolarHBondContact O-N 3.4Å
513	S	55.3	Low	66.4	Low	45 Å²	45	84.5 Å²	84.5	32%	0.315	47%	0.469	S	S	.	.			trans	-101.8	84.3	174.1	-177.6	0	0	0	0	109.4	L510 D515 S516	L510-S513 PolarHBondContact O-N 3.25Å; S513-D515 PolarHBondContact O-N 3.16Å; S513-D515 VanDerWaalsContact O-N 3.1Å; S513-S516 PolarHBondContact O-N 2.83Å; S513-S516 PolarHBondContact OG-OG 2.88Å
514	A	52	Low	68.1	Low	79 Å²	79	88.6 Å²	88.6	65%	0.653	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-56.8	-24.2	178.4	0	0	0	0	0	113.1	S516	A514-S516 VanDerWaalsContact C-N 3.33Å; A514-S516 PolarHBondContact O-N 3.37Å
515	D	57.6	Low	70.1	Confident	162 Å²	162	85 Å²	85	87%	0.866	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-80.2	-6.6	-177.9	-64.3	-29.8	0	0	0	114.7	S513	S513-D515 PolarHBondContact O-N 3.16Å; S513-D515 VanDerWaalsContact O-N 3.1Å
516	S	75	Confident	72.4	Confident	54 Å²	54	84.5 Å²	84.5	38%	0.378	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-98.1	-0.3	-175.9	-60.2	0	0	0	0	114.3	T499 S513 A514	T499-S516 WeakPolarHBondContact CB-O 3.45Å; T499-S516 PolarHBondContact OG1-O 2.86Å; S513-S516 PolarHBondContact O-N 2.83Å; S513-S516 PolarHBondContact OG-OG 2.88Å; A514-S516 VanDerWaalsContact C-N 3.33Å; A514-S516 PolarHBondContact O-N 3.37Å
517	W	86.8	Confident	74.8	Confident	28 Å²	28	81.8 Å²	81.8	11%	0.106	43%	0.433	C	S	.	.			trans	-104.1	133.4	-176.2	-68.9	88	0	0	0	111.4	Q497 Y498 T499 L510 I519 I540 F542	Q497-W517 HydrophobicContact CB-CE3 4.01Å; Y498-W517 VanDerWaalsContact C-CE3 3.46Å; T499-W517 HydrophobicContact CG2-CD2 4.19Å; T499-W517 HydrophobicContact CG2-CE3 3.98Å; T499-W517 HydrophobicContact CG2-CH2 3.48Å; T499-W517 VanDerWaalsContact CG2-CH2 3.48Å; T499-W517 HydrophobicContact CG2-CZ2 3.77Å; T499-W517 HydrophobicContact CG2-CZ3 3.64Å; L510-W517 HydrophobicContact CB-CZ2 4.16Å; L510-W517 PolarHBondContact O-NE1 2.81Å; W517-I519 HydrophobicContact CB-CG1 4.5Å; W517-I540 HydrophobicContact CH2-CB 4.14Å; W517-I540 HydrophobicContact CH2-CG2 3.87Å; W517-I540 HydrophobicContact CZ3-CB 4.5Å; W517-I540 HydrophobicContact CZ3-CG2 4.34Å; W517-F542 HydrophobicContact CE3-CD2 4.25Å; W517-F542 AromaticContact CH2-CD2 3.52Å; W517-F542 HydrophobicContact CH2-CD2 3.52Å; W517-F542 AromaticContact CH2-CE2 3.2Å; W517-F542 HydrophobicContact CH2-CE2 3.2Å; W517-F542 HydrophobicContact CH2-CZ 4.43Å; W517-F542 HydrophobicContact CZ2-CD2 4.2Å; W517-F542 AromaticContact CZ2-CE2 3.66Å; W517-F542 HydrophobicContact CZ2-CE2 3.66Å; W517-F542 AromaticContact CZ3-CD2 3.51Å; W517-F542 HydrophobicContact CZ3-CD2 3.51Å; W517-F542 AromaticContact CZ3-CE2 3.74Å; W517-F542 HydrophobicContact CZ3-CE2 3.74Å
518	M	92.3	Very high	77.1	Confident	109 Å²	109	81.9 Å²	81.9	54%	0.537	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.4	165.3	-61.9	-59.7	-67.8	0	0	108.4	Q497 Y498	Q497-M518 CarbonylContact C-O 3.53Å; Q497-M518 VanDerWaalsContact CA-O 3.25Å; Q497-M518 WeakPolarHBondContact CA-O 3.44Å; Y498-M518 HydrophobicContact CD1-CB 3.85Å; Y498-M518 HydrophobicContact CD2-CB 4.11Å; Y498-M518 HydrophobicContact CD2-CG 4.46Å; Y498-M518 HydrophobicContact CE1-CB 3.42Å; Y498-M518 VanDerWaalsContact CE1-CB 3.42Å; Y498-M518 HydrophobicContact CE1-CG 4.43Å; Y498-M518 HydrophobicContact CE2-CB 3.7Å; Y498-M518 HydrophobicContact CE2-CG 3.88Å; Y498-M518 HydrophobicContact CG-CB 4.17Å; Y498-M518 PolarHBondContact N-O 2.91Å; Y498-M518 PolarHBondContact O-N 3.08Å
519	I	93.8	Very high	79.4	Confident	87 Å²	87	77.9 Å²	77.9	45%	0.446	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.9	-173.2	-54.8	179.6	0	0	0	110	E495 Q497 W517	E495-I519 HydrophobicContact CG-CG2 3.5Å; Q497-I519 HydrophobicContact CG-CG1 4.21Å; Q497-I519 HydrophobicContact CG-CG2 4.43Å; W517-I519 HydrophobicContact CB-CG1 4.5Å
520	V	95.8	Very high	81.7	Confident	24 Å²	24	75 Å²	75	15%	0.145	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	98.6	172.1	-175.1	0	0	0	0	108.4	E495 L496 Y498 I523 Y528	E495-V520 CarbonylContact C-O 3.46Å; E495-V520 WeakPolarHBondContact CA-O 3.31Å; L496-V520 HydrophobicContact CB-CB 4.27Å; L496-V520 PolarHBondContact N-O 3.32Å; L496-V520 PolarHBondContact O-N 3.43Å; Y498-V520 HydrophobicContact CE1-CG2 4.24Å; V520-I523 HydrophobicContact CB-CD1 4.21Å; V520-I523 HydrophobicContact CG1-CD1 3.87Å; V520-I523 HydrophobicContact CG1-CG1 4.03Å; V520-Y528 HydrophobicContact CB-CE1 4.31Å; V520-Y528 HydrophobicContact CG1-CD1 4.25Å; V520-Y528 HydrophobicContact CG1-CD2 4.27Å; V520-Y528 HydrophobicContact CG1-CE1 3.71Å; V520-Y528 HydrophobicContact CG1-CE2 3.72Å; V520-Y528 VanDerWaalsContact CG1-CZ 3.42Å; V520-Y528 HydrophobicContact CG2-CE1 3.96Å
521	P	96.1	Very high	83.8	Confident	70 Å²	70	80.1 Å²	80.1	46%	0.455	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	169.9	-177.3	34.5	-35.7	0	0	0	112.6	I523	P521-I523 VanDerWaalsContact C-N 3.34Å; P521-I523 PolarHBondContact O-N 3.26Å
522	N	94.1	Very high	85.9	Confident	117 Å²	117	76.9 Å²	76.9	63%	0.626	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	61.5	31.2	166.8	-62.5	-46.8	0	0	0	116.1	Y494	Y494-N522 PolarHBondContact O-N 3.01Å; Y494-N522 VanDerWaalsContact O-N 3.17Å
523	I	96.1	Very high	88.1	Confident	12 Å²	12	71.2 Å²	71.2	6%	0.062	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.1	175.5	-55.8	164.2	0	0	0	108.7	W483 Y494 L496 V520 P521 Q525 Y528	W483-I523 HydrophobicContact CH2-CD1 4.2Å; W483-I523 HydrophobicContact CH2-CG2 4Å; W483-I523 HydrophobicContact CZ2-CG2 3.93Å; Y494-I523 PolarHBondContact N-O 2.97Å; Y494-I523 PolarHBondContact O-N 2.9Å; L496-I523 HydrophobicContact CB-CD1 3.6Å; V520-I523 HydrophobicContact CB-CD1 4.21Å; V520-I523 HydrophobicContact CG1-CD1 3.87Å; V520-I523 HydrophobicContact CG1-CG1 4.03Å; P521-I523 VanDerWaalsContact C-N 3.34Å; P521-I523 PolarHBondContact O-N 3.26Å; I523-Q525 WeakPolarHBondContact CG2-O 3.37Å; I523-Y528 HydrophobicContact CD1-CD2 3.91Å; I523-Y528 HydrophobicContact CD1-CG 3.88Å; I523-Y528 HydrophobicContact CG1-CD2 3.95Å; I523-Y528 HydrophobicContact CG1-CE2 4.46Å; I523-Y528 HydrophobicContact CG1-CG 4.43Å; I523-Y528 HydrophobicContact CG2-CD2 4.38Å
524	K	93.5	Very high	89.8	Confident	142 Å²	142	73.5 Å²	73.5	62%	0.617	40%	0.399	S	S	*	.			trans	-101.7	-12.2	179.4	-61.2	-64.7	179.7	172.9	0	113.6	T492	T492-K524 PolarHBondContact O-NZ 2.88Å
525	Q	94.1	Very high	91.8	Very high	115 Å²	115	70.4 Å²	70.4	54%	0.537	37%	0.373	S	S	.	.	S	Bend	trans	-98.2	163.8	-178.9	-59.6	170.3	30.2	0	0	109.4	W483 Y494 I523 H527	W483-Q525 WeakPolarHBondContact CZ2-O 3.33Å; Y494-Q525 WeakPolarHBondContact CD2-O 3.48Å; I523-Q525 WeakPolarHBondContact CG2-O 3.37Å; Q525-H527 PolarHBondContact O-N 3.27Å; Q525-H527 PolarHBondContact OE1-CE1 2.84Å; Q525-H527 PolarHBondContact OE1-NE2 2.89Å
526	N	94.5	Very high	93.3	Very high	46 Å²	46	62.8 Å²	62.8	25%	0.246	33%	0.333	C	S	.	.	S	Bend	trans	-88.3	19.6	176	-68.2	-13.7	0	0	0	113.3	W483 E488 Y494	W483-N526 PolarHBondContact N-O 3.48Å; W483-N526 WeakPolarHBondContact O-CB 3.15Å; E488-N526 PolarHBondContact OE1-ND2 3.45Å; Y494-N526 VanDerWaalsContact CE2-OD1 3.25Å; Y494-N526 WeakPolarHBondContact CE2-OD1 3.45Å; Y494-N526 PolarHBondContact OH-OD1 3.07Å
527	H	96.6	Very high	94.1	Very high	69 Å²	69	60.5 Å²	60.5	32%	0.319	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.8	175.5	70.5	-73.1	0	0	0	110.4	V481 H482 W483 Q525	V481-H527 CarbonylContact O-C 3.59Å; V481-H527 WeakPolarHBondContact O-CA 3.49Å; V481-H527 WeakPolarHBondContact O-CB 3.4Å; H482-H527 VanDerWaalsContact CE1-CB 3.48Å; H482-H527 WeakPolarHBondContact CE1-CB 3.42Å; H482-H527 AromaticContact CE1-CG 3.76Å; H482-H527 WeakPolarHBondContact ND1-CB 3.37Å; W483-H527 VanDerWaalsContact CH2-C 3.45Å; Q525-H527 PolarHBondContact O-N 3.27Å; Q525-H527 PolarHBondContact OE1-CE1 2.84Å; Q525-H527 PolarHBondContact OE1-NE2 2.89Å
528	Y	98.1	Very high	94.2	Very high	86 Å²	86	63.9 Å²	63.9	34%	0.337	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	139.2	173.4	-171.5	-91.9	0	0	0	111	T480 V481 L496 V520 I523 V530	T480-Y528 WeakPolarHBondContact CA-O 3.44Å; V481-Y528 PolarHBondContact N-O 2.83Å; V481-Y528 PolarHBondContact O-N 3.39Å; L496-Y528 HydrophobicContact CD2-CD1 3.85Å; L496-Y528 HydrophobicContact CD2-CG 4.42Å; V520-Y528 HydrophobicContact CB-CE1 4.31Å; V520-Y528 HydrophobicContact CG1-CD1 4.25Å; V520-Y528 HydrophobicContact CG1-CD2 4.27Å; V520-Y528 HydrophobicContact CG1-CE1 3.71Å; V520-Y528 HydrophobicContact CG1-CE2 3.72Å; V520-Y528 VanDerWaalsContact CG1-CZ 3.42Å; V520-Y528 HydrophobicContact CG2-CE1 3.96Å; I523-Y528 HydrophobicContact CD1-CD2 3.91Å; I523-Y528 HydrophobicContact CD1-CG 3.88Å; I523-Y528 HydrophobicContact CG1-CD2 3.95Å; I523-Y528 HydrophobicContact CG1-CE2 4.46Å; I523-Y528 HydrophobicContact CG1-CG 4.43Å; I523-Y528 HydrophobicContact CG2-CD2 4.38Å; Y528-V530 HydrophobicContact CD1-CG2 3.86Å; Y528-V530 HydrophobicContact CE1-CG2 4.08Å
529	T	97.9	Very high	94.1	Very high	39 Å²	39	59.2 Å²	59.2	24%	0.239	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115	175.7	-55.2	0	0	0	0	110	I479 T480 H531	I479-T529 WeakPolarHBondContact O-CA 3.48Å; T480-T529 WeakPolarHBondContact CG2-OG1 3.36Å; T480-T529 WeakPolarHBondContact OG1-CG2 3.49Å; T480-T529 PolarHBondContact OG1-OG1 3.04Å; T529-H531 PolarHBondContact O-CD2 3.45Å; T529-H531 VanDerWaalsContact O-CD2 3.32Å
530	V	97.4	Very high	94.1	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.024	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.6	171.9	-176.7	0	0	0	0	108.8	T478 I479 L496 Y498 Y528 L533 F541	T478-V530 WeakPolarHBondContact CA-O 3.49Å; T478-V530 WeakPolarHBondContact CB-O 3.35Å; I479-V530 PolarHBondContact N-O 3.05Å; I479-V530 VanDerWaalsContact N-O 3.07Å; I479-V530 PolarHBondContact O-N 3.45Å; L496-V530 HydrophobicContact CD2-CG2 3.5Å; Y498-V530 HydrophobicContact CD1-CG1 4.33Å; Y498-V530 HydrophobicContact CD1-CG2 4.24Å; Y498-V530 HydrophobicContact CD2-CG1 4.48Å; Y498-V530 HydrophobicContact CE1-CG1 3.66Å; Y498-V530 HydrophobicContact CE1-CG2 4.1Å; Y498-V530 HydrophobicContact CE2-CG1 3.83Å; Y498-V530 WeakPolarHBondContact OH-CG1 3.27Å; Y528-V530 HydrophobicContact CD1-CG2 3.86Å; Y528-V530 HydrophobicContact CE1-CG2 4.08Å; V530-L533 HydrophobicContact CB-CD1 4.21Å; V530-L533 HydrophobicContact CG1-CD1 4.09Å; V530-L533 HydrophobicContact CG1-CD2 3.74Å; V530-L533 HydrophobicContact CG1-CG 3.96Å; V530-F541 HydrophobicContact CG2-CE1 3.96Å
531	H	96.3	Very high	94	Very high	126 Å²	126	54.1 Å²	54.1	58%	0.583	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	158.1	-177.8	-64.5	-87.4	0	0	0	111.6	D477 T478 T529	D477-H531 CarbonylContact O-C 3.6Å; T478-H531 HydrophobicContact CG2-CB 4.43Å; T478-H531 VanDerWaalsContact CG2-ND1 3.27Å; T478-H531 WeakPolarHBondContact CG2-ND1 3.35Å; T529-H531 PolarHBondContact O-CD2 3.45Å; T529-H531 VanDerWaalsContact O-CD2 3.32Å
532	G	93.3	Very high	93.9	Very high	69 Å²	69	51.2 Å²	51.2	71%	0.711	26%	0.259	S	S	*	.	S	Bend	trans	74.4	27.1	175.7	0	0	0	0	0	113.7	D477	D477-G532 PolarHBondContact O-N 2.93Å
533	L	93.7	Very high	94	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.063	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-76.5	152.4	175.1	-62.1	173.5	0	0	0	110.4	D477 I479 Y498 V530 Y539 F541 T561	D477-L533 WeakPolarHBondContact CA-O 3.41Å; D477-L533 PolarHBondContact O-N 2.87Å; I479-L533 HydrophobicContact CB-CD1 3.76Å; I479-L533 HydrophobicContact CD1-CD1 3.81Å; I479-L533 HydrophobicContact CG1-CD1 3.6Å; Y498-L533 HydrophobicContact CD2-CD2 4.11Å; Y498-L533 HydrophobicContact CE2-CD2 3.62Å; V530-L533 HydrophobicContact CB-CD1 4.21Å; V530-L533 HydrophobicContact CG1-CD1 4.09Å; V530-L533 HydrophobicContact CG1-CD2 3.74Å; V530-L533 HydrophobicContact CG1-CG 3.96Å; L533-Y539 HydrophobicContact CB-CE2 3.96Å; L533-Y539 HydrophobicContact CD2-CD1 4.16Å; L533-Y539 HydrophobicContact CD2-CE1 3.66Å; L533-Y539 HydrophobicContact CD2-CE2 4.08Å; L533-Y539 HydrophobicContact CG-CE2 4.42Å; L533-F541 HydrophobicContact CD1-CZ 4.44Å; L533-T561 HydrophobicContact CB-CG2 3.67Å; L533-T561 HydrophobicContact CD1-CG2 4.03Å
534	Q	91.6	Very high	94	Very high	93 Å²	93	47.4 Å²	47.4	44%	0.435	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-70.9	139.4	174	-67.2	178.5	-35.7	0	0	109.6	I500 T537 Y539 T561	I500-Q534 VanDerWaalsContact CD1-OE1 3.25Å; Q534-T537 HydrophobicContact CB-CG2 4.45Å; Q534-T537 VanDerWaalsContact CB-OG1 3.25Å; Q534-T537 WeakPolarHBondContact CB-OG1 3.49Å; Q534-T537 WeakPolarHBondContact O-CB 3.44Å; Q534-T537 PolarHBondContact O-OG1 2.93Å; Q534-Y539 WeakPolarHBondContact CB-OH 3.46Å; Q534-Y539 PolarHBondContact N-OH 3.24Å; Q534-T561 WeakPolarHBondContact O-CB 3.44Å; Q534-T561 WeakPolarHBondContact O-CG2 3.33Å; Q534-T561 PolarHBondContact O-OG1 3.43Å
535	S	93	Very high	94	Very high	14 Å²	14	40.6 Å²	40.6	10%	0.098	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	145.4	179.9	-68.9	0	0	0	0	112.7	H476 T537 Q564	H476-S535 WeakPolarHBondContact O-CA 3.27Å; H476-S535 WeakPolarHBondContact O-CB 3.33Å; H476-S535 PolarHBondContact O-OG 3.06Å; S535-T537 PolarHBondContact O-N 2.72Å; S535-T537 PolarHBondContact O-OG1 2.92Å; S535-Q564 PolarHBondContact OG-OE1 3.12Å
536	G	90.1	Very high	94	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	13.6	-179.9	0	0	0	0	0	114.4	K560 T561 N562 C620	G536-K560 WeakPolarHBondContact O-CE 3.48Å; G536-T561 PolarHBondContact N-OG1 3.32Å; G536-T561 VanDerWaalsContact N-OG1 3.09Å; G536-N562 PolarHBondContact N-O 3.37Å; G536-C620 WeakPolarHBondContact CA-O 3.47Å; G536-C620 PolarHBondContact O-N 2.84Å
537	T	90.4	Very high	93.9	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.037	18%	0.183	C	C	.	.			trans	-103.3	140.4	-172.3	-54.1	0	0	0	0	110.8	I500 Q534 S535 Y539 K560 T561	I500-T537 HydrophobicContact CG1-CG2 4.27Å; I500-T537 HydrophobicContact CG2-CG2 3.75Å; Q534-T537 HydrophobicContact CB-CG2 4.45Å; Q534-T537 VanDerWaalsContact CB-OG1 3.25Å; Q534-T537 WeakPolarHBondContact CB-OG1 3.49Å; Q534-T537 WeakPolarHBondContact O-CB 3.44Å; Q534-T537 PolarHBondContact O-OG1 2.93Å; S535-T537 PolarHBondContact O-N 2.72Å; S535-T537 PolarHBondContact O-OG1 2.92Å; T537-Y539 HydrophobicContact CG2-CD2 4.33Å; T537-Y539 HydrophobicContact CG2-CE2 3.77Å; T537-K560 WeakPolarHBondContact O-CA 3.2Å; T537-K560 WeakPolarHBondContact O-CG 3.25Å; T537-T561 PolarHBondContact N-OG1 3.08Å; T537-T561 PolarHBondContact O-N 3.49Å; T537-T561 PolarHBondContact O-OG1 2.96Å
538	R	89.4	Confident	93.4	Very high	100 Å²	100	39.8 Å²	39.8	38%	0.377	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.7	173.9	-69.7	179	-179.5	138.9	-1.9	109.9	Y501 K560 D741	Y501-R538 WeakPolarHBondContact CB-O 3.34Å; Y501-R538 HydrophobicContact CD1-CB 4.23Å; Y501-R538 PolarHBondContact N-O 2.97Å; R538-K560 HydrophobicContact CG-CB 4.11Å; R538-K560 HydrophobicContact CG-CD 3.95Å; R538-K560 HydrophobicContact CG-CG 3.77Å; R538-D741 IonicContact NH2-OD1 3.77Å; R538-D741 PolarHBondContact NH2-OD1 3.2Å
539	Y	91.3	Very high	92.7	Very high	11 Å²	11	38 Å²	38	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.6	179.8	-72.7	-90.1	0	0	0	110.6	I479 Y498 T499 I500 L533 Q534 T537 F541 R558 L559 T561	I479-Y539 HydrophobicContact CD1-CD2 4.22Å; Y498-Y539 HydrophobicContact CD2-CD1 4.13Å; Y498-Y539 HydrophobicContact CD2-CE1 4.45Å; T499-Y539 WeakPolarHBondContact O-CA 3.3Å; T499-Y539 WeakPolarHBondContact O-CD1 3.4Å; I500-Y539 HydrophobicContact CB-CE1 4.41Å; I500-Y539 HydrophobicContact CD1-CE1 4.42Å; I500-Y539 HydrophobicContact CG1-CD1 4.05Å; I500-Y539 HydrophobicContact CG1-CE1 3.39Å; L533-Y539 HydrophobicContact CB-CE2 3.96Å; L533-Y539 HydrophobicContact CD2-CD1 4.16Å; L533-Y539 HydrophobicContact CD2-CE1 3.66Å; L533-Y539 HydrophobicContact CD2-CE2 4.08Å; L533-Y539 HydrophobicContact CG-CE2 4.42Å; Q534-Y539 WeakPolarHBondContact CB-OH 3.46Å; Q534-Y539 PolarHBondContact N-OH 3.24Å; T537-Y539 HydrophobicContact CG2-CD2 4.33Å; T537-Y539 HydrophobicContact CG2-CE2 3.77Å; Y539-F541 VanDerWaalsContact CB-CE2 3.45Å; Y539-F541 HydrophobicContact CG-CE2 4.38Å; Y539-R558 WeakPolarHBondContact O-CA 3.35Å; Y539-L559 PolarHBondContact N-O 3.22Å; Y539-L559 PolarHBondContact O-N 3.27Å; Y539-T561 HydrophobicContact CD2-CG2 4.41Å; Y539-T561 HydrophobicContact CE2-CG2 4.1Å
540	I	91.9	Very high	92.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133	167.1	-62.2	174.6	0	0	0	108.1	Y498 T499 Y501 W517 F542 P556 A557 R558	Y498-I540 WeakPolarHBondContact CA-O 3.38Å; Y498-I540 WeakPolarHBondContact CB-O 3.22Å; T499-I540 PolarHBondContact N-O 2.83Å; T499-I540 VanDerWaalsContact N-O 3.11Å; T499-I540 PolarHBondContact O-N 2.87Å; Y501-I540 HydrophobicContact CD2-CD1 3.62Å; Y501-I540 HydrophobicContact CD2-CG1 4.08Å; Y501-I540 HydrophobicContact CE2-CD1 4.32Å; W517-I540 HydrophobicContact CH2-CB 4.14Å; W517-I540 HydrophobicContact CH2-CG2 3.87Å; W517-I540 HydrophobicContact CZ3-CB 4.5Å; W517-I540 HydrophobicContact CZ3-CG2 4.34Å; I540-F542 HydrophobicContact CG2-CD2 4.41Å; I540-F542 HydrophobicContact CG2-CE2 4.02Å; I540-F542 HydrophobicContact CG2-CZ 4.44Å; I540-P556 HydrophobicContact CG2-CB 3.81Å; I540-A557 CarbonylContact C-O 3.5Å; I540-A557 WeakPolarHBondContact CA-O 3.47Å; I540-R558 HydrophobicContact CG1-CG 4.38Å
541	F	94.6	Very high	92	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.9	176.1	-68.7	-92.4	0	0	0	111.5	I467 I479 V481 L496 Q497 Y498 V530 L533 Y539 P556 A557 L559	I467-F541 HydrophobicContact CD1-CB 4.35Å; I479-F541 HydrophobicContact CB-CE2 4.47Å; I479-F541 HydrophobicContact CB-CZ 4.05Å; I479-F541 HydrophobicContact CD1-CE2 3.8Å; I479-F541 HydrophobicContact CD1-CZ 3.96Å; I479-F541 HydrophobicContact CG2-CE2 4.06Å; I479-F541 HydrophobicContact CG2-CZ 3.98Å; V481-F541 HydrophobicContact CG2-CD1 3.58Å; V481-F541 HydrophobicContact CG2-CD2 4.41Å; V481-F541 HydrophobicContact CG2-CE1 3.78Å; V481-F541 HydrophobicContact CG2-CG 3.93Å; V481-F541 HydrophobicContact CG2-CZ 4.28Å; L496-F541 HydrophobicContact CD1-CD1 4.11Å; L496-F541 HydrophobicContact CD2-CD1 4.23Å; L496-F541 HydrophobicContact CD2-CE1 4.45Å; L496-F541 HydrophobicContact CG-CD1 4.3Å; Q497-F541 CarbonylContact O-C 3.52Å; Q497-F541 WeakPolarHBondContact O-CA 3.3Å; Y498-F541 VanDerWaalsContact CB-CD1 3.4Å; Y498-F541 VanDerWaalsContact CB-CE1 3.45Å; Y498-F541 HydrophobicContact CD1-CE1 4.24Å; Y498-F541 HydrophobicContact CD2-CE1 4.34Å; Y498-F541 HydrophobicContact CG-CD1 4.17Å; Y498-F541 AromaticContact CG-CE1 3.77Å; Y498-F541 HydrophobicContact CG-CE1 3.77Å; Y498-F541 HydrophobicContact CG-CZ 4.45Å; V530-F541 HydrophobicContact CG2-CE1 3.96Å; L533-F541 HydrophobicContact CD1-CZ 4.44Å; Y539-F541 VanDerWaalsContact CB-CE2 3.45Å; Y539-F541 HydrophobicContact CG-CE2 4.38Å; F541-P556 WeakPolarHBondContact O-CA 3.37Å; F541-A557 HydrophobicContact CB-CB 4.47Å; F541-A557 PolarHBondContact N-O 2.91Å; F541-A557 PolarHBondContact O-N 3.33Å; F541-L559 HydrophobicContact CD2-CB 4.02Å; F541-L559 HydrophobicContact CD2-CD1 3.87Å; F541-L559 HydrophobicContact CD2-CG 4.1Å; F541-L559 HydrophobicContact CE2-CB 3.9Å; F541-L559 HydrophobicContact CE2-CD1 4.14Å; F541-L559 HydrophobicContact CE2-CG 4.42Å; F541-L559 HydrophobicContact CG-CD1 4.49Å
542	F	94	Very high	91.8	Very high	10 Å²	10	39.5 Å²	39.5	4%	0.044	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.2	166.7	-67.5	-79.8	0	0	0	110	L496 Q497 F507 W517 I540 S554 P556	L496-F542 CarbonylContact C-O 3.58Å; L496-F542 WeakPolarHBondContact CA-O 3.39Å; L496-F542 WeakPolarHBondContact CD1-O 3.42Å; Q497-F542 HydrophobicContact CB-CB 4.38Å; Q497-F542 PolarHBondContact N-O 3.24Å; Q497-F542 PolarHBondContact O-N 3.45Å; F507-F542 HydrophobicContact CE2-CE1 4.39Å; F507-F542 HydrophobicContact CE2-CE2 4.36Å; F507-F542 AromaticContact CE2-CZ 3.58Å; F507-F542 HydrophobicContact CE2-CZ 3.58Å; F507-F542 AromaticContact CZ-CE1 3.96Å; F507-F542 HydrophobicContact CZ-CE1 3.96Å; F507-F542 AromaticContact CZ-CZ 3.42Å; F507-F542 HydrophobicContact CZ-CZ 3.42Å; F507-F542 VanDerWaalsContact CZ-CZ 3.42Å; W517-F542 HydrophobicContact CE3-CD2 4.25Å; W517-F542 AromaticContact CH2-CD2 3.52Å; W517-F542 HydrophobicContact CH2-CD2 3.52Å; W517-F542 AromaticContact CH2-CE2 3.2Å; W517-F542 HydrophobicContact CH2-CE2 3.2Å; W517-F542 HydrophobicContact CH2-CZ 4.43Å; W517-F542 HydrophobicContact CZ2-CD2 4.2Å; W517-F542 AromaticContact CZ2-CE2 3.66Å; W517-F542 HydrophobicContact CZ2-CE2 3.66Å; W517-F542 AromaticContact CZ3-CD2 3.51Å; W517-F542 HydrophobicContact CZ3-CD2 3.51Å; W517-F542 AromaticContact CZ3-CE2 3.74Å; W517-F542 HydrophobicContact CZ3-CE2 3.74Å; I540-F542 HydrophobicContact CG2-CD2 4.41Å; I540-F542 HydrophobicContact CG2-CE2 4.02Å; I540-F542 HydrophobicContact CG2-CZ 4.44Å; F542-S554 WeakPolarHBondContact CD1-O 3.42Å; F542-P556 HydrophobicContact CD1-CB 4.21Å; F542-P556 HydrophobicContact CE1-CB 3.55Å; F542-P556 HydrophobicContact CE1-CG 4.14Å; F542-P556 HydrophobicContact CZ-CB 3.75Å; F542-P556 HydrophobicContact CZ-CG 4.45Å
543	V	96.3	Very high	91.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.7	168	-178.8	0	0	0	0	108	P465 I467 W483 Y494 L496 N553 S554	P465-V543 HydrophobicContact CB-CG1 4.22Å; P465-V543 HydrophobicContact CG-CB 4.02Å; P465-V543 HydrophobicContact CG-CG1 3.8Å; P465-V543 VanDerWaalsContact CG-O 3.28Å; P465-V543 WeakPolarHBondContact CG-O 3.37Å; I467-V543 HydrophobicContact CD1-CG2 3.93Å; I467-V543 HydrophobicContact CG1-CB 4.43Å; I467-V543 HydrophobicContact CG1-CG2 3.81Å; W483-V543 HydrophobicContact CB-CG2 4.37Å; W483-V543 HydrophobicContact CD2-CB 4.31Å; W483-V543 HydrophobicContact CD2-CG1 3.77Å; W483-V543 HydrophobicContact CD2-CG2 3.7Å; W483-V543 HydrophobicContact CE3-CG1 4.36Å; W483-V543 HydrophobicContact CE3-CG2 3.53Å; W483-V543 HydrophobicContact CG-CB 4.4Å; W483-V543 HydrophobicContact CG-CG1 3.93Å; W483-V543 HydrophobicContact CG-CG2 4.1Å; W483-V543 HydrophobicContact CZ2-CG1 4.14Å; W483-V543 HydrophobicContact CZ3-CG2 4Å; Y494-V543 HydrophobicContact CD1-CG1 3.8Å; Y494-V543 HydrophobicContact CG-CG1 4.26Å; L496-V543 HydrophobicContact CD1-CG2 3.58Å; V543-N553 CarbonylContact O-C 3.49Å; V543-N553 WeakPolarHBondContact O-CA 3.34Å; V543-S554 PolarHBondContact N-OG 3.07Å; V543-S554 WeakPolarHBondContact O-CB 3.34Å; V543-S554 PolarHBondContact O-N 3.2Å; V543-S554 PolarHBondContact O-OG 3.39Å
544	K	94.9	Very high	91.8	Very high	48 Å²	48	38.1 Å²	38.1	21%	0.209	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.6	176.6	179.8	177.1	-177.2	-176.3	0	109.1	Y494 E495 I546 S551 R552 N553	Y494-K544 CarbonylContact C-O 3.54Å; Y494-K544 WeakPolarHBondContact CA-O 3.44Å; E495-K544 HydrophobicContact CB-CB 4.22Å; E495-K544 PolarHBondContact N-O 3.17Å; E495-K544 PolarHBondContact O-N 3.32Å; E495-K544 IonicContact OE1-NZ 3.62Å; K544-I546 HydrophobicContact CD-CD1 4.45Å; K544-I546 HydrophobicContact CD-CG1 4.43Å; K544-I546 HydrophobicContact CG-CD1 4.41Å; K544-I546 HydrophobicContact CG-CG1 3.98Å; K544-S551 WeakPolarHBondContact CE-OG 3.4Å; K544-R552 CarbonylContact C-O 3.57Å; K544-R552 VanDerWaalsContact CA-O 3.29Å; K544-R552 WeakPolarHBondContact CA-O 3.43Å; K544-N553 WeakPolarHBondContact CB-OD1 3.48Å; K544-N553 WeakPolarHBondContact CD-OD1 3.39Å; K544-N553 WeakPolarHBondContact CG-OD1 3.41Å
545	A	95.5	Very high	91.8	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	-84.5	133.6	171.3	0	0	0	0	0	109.5	P462 P465 V491 Y494 S551 R552	P462-A545 HydrophobicContact CB-CB 3.9Å; P462-A545 HydrophobicContact CG-CB 4.16Å; P465-A545 HydrophobicContact CG-CB 3.98Å; V491-A545 HydrophobicContact CG1-CB 4.22Å; V491-A545 HydrophobicContact CG2-CB 4.13Å; Y494-A545 HydrophobicContact CD1-CB 3.98Å; Y494-A545 HydrophobicContact CE1-CB 3.86Å; A545-S551 CarbonylContact O-C 3.57Å; A545-S551 WeakPolarHBondContact O-CA 3.28Å; A545-S551 VanDerWaalsContact O-CB 3.24Å; A545-S551 WeakPolarHBondContact O-CB 3.39Å; A545-R552 PolarHBondContact N-O 3.28Å; A545-R552 PolarHBondContact O-N 2.93Å
546	I	94	Very high	91.7	Very high	43 Å²	43	42.7 Å²	42.7	22%	0.221	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.8	-171.6	-53.6	171.9	0	0	0	109.8	T492 S493 E495 K544	T492-I546 WeakPolarHBondContact CA-O 3.25Å; T492-I546 WeakPolarHBondContact CB-O 3.5Å; T492-I546 PolarHBondContact N-O 2.85Å; S493-I546 PolarHBondContact N-O 2.95Å; S493-I546 VanDerWaalsContact N-O 3.12Å; S493-I546 WeakPolarHBondContact O-CB 3.43Å; S493-I546 PolarHBondContact O-N 3.07Å; E495-I546 HydrophobicContact CB-CD1 3.81Å; K544-I546 HydrophobicContact CD-CD1 4.45Å; K544-I546 HydrophobicContact CD-CG1 4.43Å; K544-I546 HydrophobicContact CG-CD1 4.41Å; K544-I546 HydrophobicContact CG-CG1 3.98Å
547	N	91.9	Very high	91.8	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.064	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-173	167.1	75.3	6	0	0	0	111.2	T460 P462 S490 A549 G550	T460-N547 PolarHBondContact O-ND2 3.21Å; P462-N547 VanDerWaalsContact CD-CG 3.45Å; P462-N547 HydrophobicContact CG-CB 3.83Å; S490-N547 WeakPolarHBondContact O-CB 3.43Å; S490-N547 PolarHBondContact O-ND2 3.01Å; N547-A549 PolarHBondContact O-N 3.41Å; N547-A549 WeakPolarHBondContact OD1-CA 3.45Å; N547-A549 WeakPolarHBondContact OD1-CB 3.32Å; N547-A549 PolarHBondContact OD1-N 3.01Å; N547-G550 PolarHBondContact N-O 2.83Å; N547-G550 PolarHBondContact O-N 3.49Å; N547-G550 PolarHBondContact OD1-N 2.8Å; N547-G550 VanDerWaalsContact OD1-N 3.17Å; N547-G550 PolarHBondContact OD1-O 2.86Å
548	Q	85.8	Confident	91.8	Very high	157 Å²	157	50.2 Å²	50.2	73%	0.734	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.3	-178.4	-60.1	-175.2	19.9	0	0	113.9	L459	L459-Q548 HydrophobicContact CD2-CB 3.84Å
549	A	83	Confident	91.9	Very high	48 Å²	48	46.6 Å²	46.6	40%	0.397	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.2	-179.9	0	0	0	0	0	113.6	L459 T460 N547	L459-A549 HydrophobicContact CB-CB 4.1Å; L459-A549 HydrophobicContact CD2-CB 3.94Å; L459-A549 HydrophobicContact CG-CB 3.72Å; L459-A549 WeakPolarHBondContact O-CB 3.44Å; T460-A549 VanDerWaalsContact C-CB 3.4Å; N547-A549 PolarHBondContact O-N 3.41Å; N547-A549 WeakPolarHBondContact OD1-CA 3.45Å; N547-A549 WeakPolarHBondContact OD1-CB 3.32Å; N547-A549 PolarHBondContact OD1-N 3.01Å
550	G	89.3	Confident	91.9	Very high	28 Å²	28	48 Å²	48	29%	0.289	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	140.4	-146.4	174.8	0	0	0	0	0	112.6	N547	N547-G550 PolarHBondContact N-O 2.83Å; N547-G550 PolarHBondContact O-N 3.49Å; N547-G550 PolarHBondContact OD1-N 2.8Å; N547-G550 VanDerWaalsContact OD1-N 3.17Å; N547-G550 PolarHBondContact OD1-O 2.86Å
551	S	92.3	Very high	92	Very high	38 Å²	38	47.9 Å²	47.9	27%	0.266	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.5	-174.7	55.9	0	0	0	0	113.7	K544 A545	K544-S551 WeakPolarHBondContact CE-OG 3.4Å; A545-S551 CarbonylContact O-C 3.57Å; A545-S551 WeakPolarHBondContact O-CA 3.28Å; A545-S551 VanDerWaalsContact O-CB 3.24Å; A545-S551 WeakPolarHBondContact O-CB 3.39Å
552	R	91.4	Very high	92	Very high	135 Å²	135	49.9 Å²	49.9	51%	0.509	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.4	174.2	-70.9	-64.3	-176	-94.9	0.8	110.3	A461 P462 P464 K544 A545	A461-R552 HydrophobicContact CB-CG 4.13Å; P462-R552 WeakPolarHBondContact O-CB 3.45Å; P462-R552 WeakPolarHBondContact O-CG 3.24Å; P464-R552 HydrophobicContact CG-CB 4.12Å; P464-R552 HydrophobicContact CG-CG 4.46Å; K544-R552 CarbonylContact C-O 3.57Å; K544-R552 VanDerWaalsContact CA-O 3.29Å; K544-R552 WeakPolarHBondContact CA-O 3.43Å; A545-R552 PolarHBondContact N-O 3.28Å; A545-R552 PolarHBondContact O-N 2.93Å
553	N	92.6	Very high	92	Very high	48 Å²	48	49.6 Å²	49.6	26%	0.257	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	146.5	179.4	-62.7	-17.7	0	0	0	110.1	P464 Y511 V543 K544	P464-N553 WeakPolarHBondContact CB-O 3.4Å; Y511-N553 PolarHBondContact OH-ND2 2.96Å; V543-N553 CarbonylContact O-C 3.49Å; V543-N553 WeakPolarHBondContact O-CA 3.34Å; K544-N553 WeakPolarHBondContact CB-OD1 3.48Å; K544-N553 WeakPolarHBondContact CD-OD1 3.39Å; K544-N553 WeakPolarHBondContact CG-OD1 3.41Å
554	S	95.1	Very high	91.8	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.028	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-65.8	165.5	165.4	70.9	0	0	0	0	111.3	P465 I467 F542 V543	P465-S554 VanDerWaalsContact O-CA 3.22Å; P465-S554 WeakPolarHBondContact O-CA 3.4Å; P465-S554 WeakPolarHBondContact O-CB 3.19Å; I467-S554 WeakPolarHBondContact CD1-OG 3.4Å; F542-S554 WeakPolarHBondContact CD1-O 3.42Å; V543-S554 PolarHBondContact N-OG 3.07Å; V543-S554 WeakPolarHBondContact O-CB 3.34Å; V543-S554 PolarHBondContact O-N 3.2Å; V543-S554 PolarHBondContact O-OG 3.39Å
555	E	91.2	Very high	91.8	Very high	162 Å²	162	52.7 Å²	52.7	76%	0.757	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-60.9	151.1	157.1	-67	-58	138	0	0	110.2	A557	E555-A557 PolarHBondContact O-N 3.29Å
556	P	90.7	Very high	91.8	Very high	41 Å²	41	53 Å²	53	27%	0.266	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-69.4	128.6	-180	27.8	-34.4	0	0	0	111.4	F507 I540 F541 F542	F507-P556 HydrophobicContact CE2-CB 3.75Å; F507-P556 HydrophobicContact CE2-CG 3.69Å; F507-P556 HydrophobicContact CZ-CB 3.99Å; F507-P556 HydrophobicContact CZ-CG 3.6Å; I540-P556 HydrophobicContact CG2-CB 3.81Å; F541-P556 WeakPolarHBondContact O-CA 3.37Å; F542-P556 HydrophobicContact CD1-CB 4.21Å; F542-P556 HydrophobicContact CE1-CB 3.55Å; F542-P556 HydrophobicContact CE1-CG 4.14Å; F542-P556 HydrophobicContact CZ-CB 3.75Å; F542-P556 HydrophobicContact CZ-CG 4.45Å
557	A	91.6	Very high	92	Very high	3 Å²	3	56 Å²	56	3%	0.025	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136	168.9	0	0	0	0	0	110.6	I467 D469 I540 F541 E555 L559	I467-A557 HydrophobicContact CB-CB 3.98Å; I467-A557 HydrophobicContact CD1-CB 3.55Å; I467-A557 HydrophobicContact CG1-CB 4.36Å; I467-A557 HydrophobicContact CG2-CB 3.6Å; D469-A557 WeakPolarHBondContact OD1-CB 3.33Å; I540-A557 CarbonylContact C-O 3.5Å; I540-A557 WeakPolarHBondContact CA-O 3.47Å; F541-A557 HydrophobicContact CB-CB 4.47Å; F541-A557 PolarHBondContact N-O 2.91Å; F541-A557 PolarHBondContact O-N 3.33Å; E555-A557 PolarHBondContact O-N 3.29Å; A557-L559 HydrophobicContact CB-CG 4.43Å
558	R	91.3	Very high	92.2	Very high	164 Å²	164	55.5 Å²	55.5	62%	0.619	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	103.6	177.2	-64.5	-179.8	-171.2	174.6	4	108.8	Y539 I540	Y539-R558 WeakPolarHBondContact O-CA 3.35Å; I540-R558 HydrophobicContact CG1-CG 4.38Å
559	L	91.9	Very high	92.6	Very high	23 Å²	23	49.7 Å²	49.7	12%	0.12	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.9	-177.7	-55.9	175.6	0	0	0	109.5	C472 I479 V481 Y539 F541 A557	C472-L559 HydrophobicContact CB-CD1 4.01Å; C472-L559 HydrophobicContact CB-CD2 4.12Å; I479-L559 HydrophobicContact CD1-CB 4.01Å; I479-L559 HydrophobicContact CG2-CB 4.15Å; I479-L559 HydrophobicContact CG2-CD1 3.63Å; V481-L559 HydrophobicContact CG1-CD1 4.47Å; V481-L559 HydrophobicContact CG2-CD1 3.97Å; Y539-L559 PolarHBondContact N-O 3.22Å; Y539-L559 PolarHBondContact O-N 3.27Å; F541-L559 HydrophobicContact CD2-CB 4.02Å; F541-L559 HydrophobicContact CD2-CD1 3.87Å; F541-L559 HydrophobicContact CD2-CG 4.1Å; F541-L559 HydrophobicContact CE2-CB 3.9Å; F541-L559 HydrophobicContact CE2-CD1 4.14Å; F541-L559 HydrophobicContact CE2-CG 4.42Å; F541-L559 HydrophobicContact CG-CD1 4.49Å; A557-L559 HydrophobicContact CB-CG 4.43Å
560	K	90.9	Very high	93.1	Very high	40 Å²	40	50.6 Å²	50.6	17%	0.174	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137	-177.1	-167.7	-176	173.2	177	0	109.8	A474 G536 T537 R538 C620	A474-K560 WeakPolarHBondContact CB-O 3.49Å; G536-K560 WeakPolarHBondContact O-CE 3.48Å; T537-K560 WeakPolarHBondContact O-CA 3.2Å; T537-K560 WeakPolarHBondContact O-CG 3.25Å; R538-K560 HydrophobicContact CG-CB 4.11Å; R538-K560 HydrophobicContact CG-CD 3.95Å; R538-K560 HydrophobicContact CG-CG 3.77Å; K560-C620 PolarHBondContact NZ-SG 2.93Å; K560-C620 VanDerWaalsContact NZ-SG 3.38Å
561	T	93.9	Very high	93.2	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-73.2	148.2	167.7	50	0	0	0	0	110.6	S475 I479 L533 Q534 G536 T537 Y539	S475-T561 CarbonylContact O-C 3.56Å; S475-T561 WeakPolarHBondContact O-CA 3.43Å; S475-T561 WeakPolarHBondContact O-CB 3.16Å; I479-T561 HydrophobicContact CD1-CG2 3.84Å; I479-T561 HydrophobicContact CG1-CG2 3.9Å; L533-T561 HydrophobicContact CB-CG2 3.67Å; L533-T561 HydrophobicContact CD1-CG2 4.03Å; Q534-T561 WeakPolarHBondContact O-CB 3.44Å; Q534-T561 WeakPolarHBondContact O-CG2 3.33Å; Q534-T561 PolarHBondContact O-OG1 3.43Å; G536-T561 PolarHBondContact N-OG1 3.32Å; G536-T561 VanDerWaalsContact N-OG1 3.09Å; T537-T561 PolarHBondContact N-OG1 3.08Å; T537-T561 PolarHBondContact O-N 3.49Å; T537-T561 PolarHBondContact O-OG1 2.96Å; Y539-T561 HydrophobicContact CD2-CG2 4.41Å; Y539-T561 HydrophobicContact CE2-CG2 4.1Å
562	N	93.5	Very high	93.1	Very high	42 Å²	42	54.3 Å²	54.3	23%	0.225	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-69.7	168.6	176.7	-65.9	-11.3	0	0	0	111.1	A474 S475 H476 G536	A474-N562 PolarHBondContact O-ND2 2.92Å; S475-N562 PolarHBondContact O-N 2.97Å; H476-N562 WeakPolarHBondContact CA-O 3.25Å; G536-N562 PolarHBondContact N-O 3.37Å
563	S	93.9	Very high	93.2	Very high	4 Å²	4	48 Å²	48	3%	0.028	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-61	144.8	174.8	-50.9	0	0	0	0	111.1	H476 P565 Y622 G733 L734	H476-S563 WeakPolarHBondContact CB-O 3.23Å; S563-P565 WeakPolarHBondContact O-CD 3.38Å; S563-Y622 WeakPolarHBondContact CB-O 3.32Å; S563-Y622 PolarHBondContact OG-N 3.34Å; S563-Y622 PolarHBondContact OG-O 3.36Å; S563-G733 VanDerWaalsContact O-CA 3.3Å; S563-G733 WeakPolarHBondContact O-CA 3.41Å; S563-L734 VanDerWaalsContact CB-O 3.25Å; S563-L734 WeakPolarHBondContact CB-O 3.34Å; S563-L734 PolarHBondContact OG-O 3.35Å
564	Q	92.9	Very high	93.1	Very high	59 Å²	59	46 Å²	46	28%	0.276	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-58.9	119.9	171.2	-176	67.3	54.9	0	0	110.4	H476 S535 V614 H621	H476-Q564 PolarHBondContact CD2-NE2 2.9Å; H476-Q564 VanDerWaalsContact CD2-NE2 3.31Å; S535-Q564 PolarHBondContact OG-OE1 3.12Å; Q564-V614 HydrophobicContact CB-CG1 4.46Å; Q564-V614 HydrophobicContact CG-CG1 3.58Å; Q564-V614 HydrophobicContact CG-CG2 4.4Å; Q564-H621 PolarHBondContact N-ND1 3.16Å
565	P	95.1	Very high	92.7	Very high	55 Å²	55	51.1 Å²	51.1	36%	0.357	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-69.2	141.6	175.2	27.7	-34	0	0	0	110.6	H476 S563	H476-P565 VanDerWaalsContact CG-CD 3.49Å; S563-P565 WeakPolarHBondContact O-CD 3.38Å
566	F	96.4	Very high	92.6	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.026	23%	0.225	C	C	.	.			trans	-144.5	162.9	179.5	69.1	-95.1	0	0	0	111.9	V614 W623 P719 F721 I730 S732	F566-V614 HydrophobicContact CB-CB 3.76Å; F566-V614 HydrophobicContact CB-CG2 3.65Å; F566-W623 HydrophobicContact CE1-CB 3.94Å; F566-W623 AromaticContact CE1-CD2 3.92Å; F566-W623 HydrophobicContact CE1-CD2 3.92Å; F566-W623 HydrophobicContact CE1-CE3 4.15Å; F566-W623 AromaticContact CE1-CG 3.85Å; F566-W623 HydrophobicContact CE1-CG 3.85Å; F566-W623 HydrophobicContact CZ-CB 4.04Å; F566-W623 AromaticContact CZ-CD1 3.87Å; F566-W623 AromaticContact CZ-CD2 3.95Å; F566-W623 HydrophobicContact CZ-CD2 3.95Å; F566-W623 AromaticContact CZ-CG 3.67Å; F566-W623 HydrophobicContact CZ-CG 3.67Å; F566-P719 HydrophobicContact CD1-CG 4.04Å; F566-P719 HydrophobicContact CD2-CB 4.34Å; F566-P719 HydrophobicContact CD2-CG 4.18Å; F566-P719 HydrophobicContact CE1-CB 4.27Å; F566-P719 HydrophobicContact CE1-CG 3.67Å; F566-P719 HydrophobicContact CE2-CB 3.68Å; F566-P719 HydrophobicContact CE2-CG 3.83Å; F566-P719 HydrophobicContact CG-CG 4.29Å; F566-P719 HydrophobicContact CZ-CB 3.64Å; F566-P719 HydrophobicContact CZ-CG 3.57Å; F566-F721 AromaticContact CE2-CE2 3.9Å; F566-F721 HydrophobicContact CE2-CE2 3.9Å; F566-F721 AromaticContact CE2-CZ 3.69Å; F566-F721 HydrophobicContact CE2-CZ 3.69Å; F566-F721 AromaticContact CZ-CZ 4Å; F566-F721 HydrophobicContact CZ-CZ 4Å; F566-I730 HydrophobicContact CE2-CG2 3.79Å; F566-I730 HydrophobicContact CZ-CG2 3.95Å; F566-S732 PolarHBondContact N-OG 2.79Å; F566-S732 VanDerWaalsContact N-OG 3.11Å; F566-S732 WeakPolarHBondContact O-CB 3.33Å; F566-S732 PolarHBondContact O-OG 3.45Å
567	K	97.2	Very high	92.6	Very high	105 Å²	105	45.6 Å²	45.6	46%	0.457	22%	0.216	S	C	.	.			trans	-129.3	165.1	178	-64.3	177.4	177	-172.9	0	110	D582 C583 L584 G612 N613	K567-D582 WeakPolarHBondContact CD-O 3.2Å; K567-C583 HydrophobicContact CB-CB 4.07Å; K567-L584 HydrophobicContact CG-CD2 4.02Å; K567-G612 CarbonylContact O-C 3.56Å; K567-G612 VanDerWaalsContact O-CA 3.26Å; K567-G612 WeakPolarHBondContact O-CA 3.48Å; K567-N613 PolarHBondContact N-OD1 3.12Å; K567-N613 PolarHBondContact O-N 3.15Å; K567-N613 PolarHBondContact O-OD1 3.41Å; K567-N613 VanDerWaalsContact O-OD1 3.04Å
568	L	96.8	Very high	92.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-67	132	170.2	-65	170.1	0	0	0	110.1	P570 L579 C583 M586 A610 F721 I730	L568-P570 VanDerWaalsContact O-CD 3.27Å; L568-P570 WeakPolarHBondContact O-CD 3.44Å; L568-L579 HydrophobicContact CB-CD1 4.11Å; L568-L579 HydrophobicContact CB-CD2 4.34Å; L568-L579 HydrophobicContact CD1-CD2 3.84Å; L568-C583 VanDerWaalsContact CB-O 3.28Å; L568-C583 WeakPolarHBondContact CB-O 3.45Å; L568-C583 WeakPolarHBondContact CG-O 3.46Å; L568-C583 PolarHBondContact N-O 3.18Å; L568-C583 WeakPolarHBondContact O-CB 3.26Å; L568-M586 HydrophobicContact CD1-CB 3.87Å; L568-M586 HydrophobicContact CD1-CE 3.65Å; L568-M586 HydrophobicContact CD1-CG 4.29Å; L568-M586 HydrophobicContact CD2-CE 3.39Å; L568-M586 HydrophobicContact CG-CE 4.15Å; L568-A610 HydrophobicContact CD2-CB 4.17Å; L568-F721 HydrophobicContact CD2-CD2 3.52Å; L568-F721 HydrophobicContact CD2-CE2 3.95Å; L568-F721 HydrophobicContact CD2-CG 4.28Å; L568-I730 HydrophobicContact CD1-CD1 3.93Å; L568-I730 HydrophobicContact CD2-CD1 3.33Å; L568-I730 HydrophobicContact CG-CD1 3.53Å
569	D	94.4	Very high	92.7	Very high	35 Å²	35	44 Å²	44	19%	0.187	21%	0.211	C	C	.	.			trans	-84.2	113.3	176.6	-174.9	-6	0	0	0	110.9	K571 T572 A573 A611 N613	D569-K571 PolarHBondContact O-N 3.47Å; D569-K571 VanDerWaalsContact O-N 3.13Å; D569-K571 VanDerWaalsContact OD1-CB 3.27Å; D569-K571 WeakPolarHBondContact OD1-CB 3.48Å; D569-K571 WeakPolarHBondContact OD1-CG 3.4Å; D569-K571 PolarHBondContact OD1-N 3.13Å; D569-T572 HydrophobicContact CB-CG2 4.1Å; D569-T572 PolarHBondContact O-N 2.75Å; D569-T572 VanDerWaalsContact O-N 3.11Å; D569-T572 PolarHBondContact O-OG1 3.41Å; D569-A573 PolarHBondContact O-N 3.23Å; D569-A611 PolarHBondContact N-O 2.97Å; D569-N613 HydrophobicContact CB-CB 4.12Å
570	P	92.4	Very high	92.8	Very high	67 Å²	67	44.7 Å²	44.7	44%	0.435	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.7	177.7	-21.3	34.1	0	0	0	114.4	L568 T572 L579 R601	L568-P570 VanDerWaalsContact O-CD 3.27Å; L568-P570 WeakPolarHBondContact O-CD 3.44Å; P570-T572 VanDerWaalsContact C-N 3.34Å; P570-L579 HydrophobicContact CB-CD1 4.1Å; P570-L579 HydrophobicContact CG-CD1 4.01Å; P570-R601 PolarHBondContact O-NH1 3.11Å
571	K	90.8	Very high	92.9	Very high	129 Å²	129	51.1 Å²	51.1	56%	0.561	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-35.3	177.4	-62.2	176.6	-179.6	177.3	0	111.7	D569 T598	D569-K571 PolarHBondContact O-N 3.47Å; D569-K571 VanDerWaalsContact O-N 3.13Å; D569-K571 VanDerWaalsContact OD1-CB 3.27Å; D569-K571 WeakPolarHBondContact OD1-CB 3.48Å; D569-K571 WeakPolarHBondContact OD1-CG 3.4Å; D569-K571 PolarHBondContact OD1-N 3.13Å; K571-T598 PolarHBondContact O-OG1 2.6Å
572	T	91.6	Very high	92.9	Very high	15 Å²	15	54.7 Å²	54.7	9%	0.092	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-29.2	179.9	71.5	0	0	0	0	112.3	D569 P570 H574 R601 F602 A611	D569-T572 HydrophobicContact CB-CG2 4.1Å; D569-T572 PolarHBondContact O-N 2.75Å; D569-T572 VanDerWaalsContact O-N 3.11Å; D569-T572 PolarHBondContact O-OG1 3.41Å; P570-T572 VanDerWaalsContact C-N 3.34Å; T572-H574 PolarHBondContact O-N 3.39Å; T572-R601 WeakPolarHBondContact O-CA 3.49Å; T572-R601 WeakPolarHBondContact O-CG 2.96Å; T572-F602 VanDerWaalsContact O-CD2 3.26Å; T572-F602 WeakPolarHBondContact O-CD2 3.15Å; T572-F602 PolarHBondContact O-N 3.04Å; T572-A611 HydrophobicContact CG2-CB 4.24Å; T572-A611 PolarHBondContact OG1-N 3.14Å
573	A	92.1	Very high	93.1	Very high	4 Å²	4	54 Å²	54	3%	0.033	27%	0.272	C	S	.	.	S	Bend	trans	-57	132.2	-172.3	0	0	0	0	0	114.3	D569 L579 R601 G609 A610	D569-A573 PolarHBondContact O-N 3.23Å; A573-L579 HydrophobicContact CB-CD1 3.95Å; A573-L579 HydrophobicContact CB-CD2 4.38Å; A573-L579 HydrophobicContact CB-CG 4.27Å; A573-R601 WeakPolarHBondContact O-CD 3.32Å; A573-R601 WeakPolarHBondContact O-CG 3.45Å; A573-R601 PolarHBondContact O-NH1 3.46Å; A573-G609 CarbonylContact C-O 3.55Å; A573-G609 WeakPolarHBondContact CA-O 3.09Å; A573-A610 HydrophobicContact CB-CB 3.79Å
574	H	91.4	Very high	93.2	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.028	28%	0.281	C	S	.	.			trans	-57.6	145.2	177.2	-176.6	-86.1	0	0	0	112.1	T572 K576 L577 F602 Y608 G609	T572-H574 PolarHBondContact O-N 3.39Å; H574-K576 WeakPolarHBondContact ND1-CB 3.4Å; H574-K576 PolarHBondContact ND1-N 3.24Å; H574-K576 PolarHBondContact O-N 3.01Å; H574-L577 HydrophobicContact CB-CD1 4.18Å; H574-L577 HydrophobicContact CB-CG 4.19Å; H574-L577 WeakPolarHBondContact O-CB 3.49Å; H574-L577 PolarHBondContact O-N 3.28Å; H574-F602 WeakPolarHBondContact CA-O 3.26Å; H574-F602 HydrophobicContact CB-CB 3.9Å; H574-F602 PolarHBondContact CD2-O 2.99Å; H574-Y608 AromaticContact CE1-CD1 3.49Å; H574-Y608 VanDerWaalsContact CE1-CD1 3.49Å; H574-Y608 WeakPolarHBondContact CE1-CD1 3.42Å; H574-Y608 AromaticContact CE1-CE1 3.82Å; H574-Y608 AromaticContact CG-CD1 3.96Å; H574-Y608 AromaticContact ND1-CD1 3.46Å; H574-Y608 WeakPolarHBondContact ND1-CD1 3.13Å; H574-Y608 AromaticContact NE2-CD1 3.99Å; H574-G609 PolarHBondContact N-O 2.99Å
575	K	86.9	Confident	93.3	Very high	111 Å²	111	54.3 Å²	54.3	48%	0.483	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.7	-175.9	63.5	-178.1	175.6	-174.8	0	115.8	L577 S592	K575-L577 VanDerWaalsContact C-N 3.33Å; K575-S592 WeakPolarHBondContact O-CB 3.35Å; K575-S592 PolarHBondContact O-OG 3.05Å
576	K	88.7	Confident	93.2	Very high	73 Å²	73	51.7 Å²	51.7	32%	0.317	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.4	175.6	-66.7	-170.5	172.1	-161.7	0	113.7	H574 D589 Y608	H574-K576 WeakPolarHBondContact ND1-CB 3.4Å; H574-K576 PolarHBondContact ND1-N 3.24Å; H574-K576 PolarHBondContact O-N 3.01Å; K576-D589 PolarHBondContact O-N 3.02Å; K576-Y608 HydrophobicContact CB-CD1 4.35Å; K576-Y608 HydrophobicContact CB-CE1 4.48Å; K576-Y608 HydrophobicContact CD-CE1 3.91Å
577	L	90.4	Very high	93.1	Very high	14 Å²	14	55 Å²	55	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137	171.8	-64	178.9	0	0	0	109.5	H574 K575 M586 E587 G609 A610 I723	H574-L577 HydrophobicContact CB-CD1 4.18Å; H574-L577 HydrophobicContact CB-CG 4.19Å; H574-L577 WeakPolarHBondContact O-CB 3.49Å; H574-L577 PolarHBondContact O-N 3.28Å; K575-L577 VanDerWaalsContact C-N 3.33Å; L577-M586 HydrophobicContact CD1-SD 4.19Å; L577-E587 CarbonylContact C-O 3.54Å; L577-E587 WeakPolarHBondContact CA-O 3.27Å; L577-G609 WeakPolarHBondContact CD1-O 3.46Å; L577-A610 HydrophobicContact CD1-CB 4.43Å; L577-I723 HydrophobicContact CD2-CD1 3.83Å; L577-I723 HydrophobicContact CD2-CG1 3.75Å
578	R	91.5	Very high	92.6	Very high	98 Å²	98	51.2 Å²	51.2	37%	0.37	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.5	164.3	177.6	173.5	59.7	-114.5	2.5	107.5	E587 D589	R578-E587 IonicContact CZ-OE2 2.95Å; R578-E587 PolarHBondContact N-O 3.18Å; R578-E587 IonicContact NE-OE2 2.66Å; R578-E587 IonicContact NH2-OE1 3.1Å; R578-E587 PolarHBondContact NH2-OE1 3.47Å; R578-E587 IonicContact NH2-OE2 4Å; R578-E587 PolarHBondContact NH2-OE2 3.22Å; R578-E587 PolarHBondContact O-N 3.01Å; R578-D589 HydrophobicContact CB-CB 4Å; R578-D589 IonicContact NH1-OD1 2.73Å; R578-D589 PolarHBondContact NH1-OD1 3.34Å; R578-D589 IonicContact NH1-OD2 3.99Å; R578-D589 PolarHBondContact NH1-OD2 3.2Å
579	L	93.9	Very high	92	Very high	34 Å²	34	52.5 Å²	52.5	18%	0.178	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	144.7	170.8	-56.7	-173.6	0	0	0	109.1	L568 P570 A573 T585 M586	L568-L579 HydrophobicContact CB-CD1 4.11Å; L568-L579 HydrophobicContact CB-CD2 4.34Å; L568-L579 HydrophobicContact CD1-CD2 3.84Å; P570-L579 HydrophobicContact CB-CD1 4.1Å; P570-L579 HydrophobicContact CG-CD1 4.01Å; A573-L579 HydrophobicContact CB-CD1 3.95Å; A573-L579 HydrophobicContact CB-CD2 4.38Å; A573-L579 HydrophobicContact CB-CG 4.27Å; L579-T585 WeakPolarHBondContact CA-O 3.17Å; L579-M586 HydrophobicContact CD2-CB 3.65Å
580	S	94.6	Very high	91	Very high	38 Å²	38	57.1 Å²	57.1	27%	0.266	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-65.4	162.3	167.8	52.1	0	0	0	0	111.3	D582 C583 L584 T585	S580-D582 VanDerWaalsContact CB-OD1 3.27Å; S580-D582 WeakPolarHBondContact CB-OD1 3.46Å; S580-D582 PolarHBondContact O-N 3.34Å; S580-D582 PolarHBondContact OG-OD1 3.09Å; S580-C583 WeakPolarHBondContact O-CA 3.48Å; S580-C583 PolarHBondContact O-N 3.02Å; S580-L584 PolarHBondContact OG-N 3.11Å; S580-T585 PolarHBondContact N-O 3.17Å; S580-T585 WeakPolarHBondContact OG-CB 3.36Å; S580-T585 PolarHBondContact OG-N 2.81Å; S580-T585 PolarHBondContact OG-O 2.91Å
581	N	92.9	Very high	90	Very high	176 Å²	176	58.4 Å²	58.4	94%	0.941	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.2	-178.3	-67.4	-15.8	0	0	0	113	C583	N581-C583 PolarHBondContact O-N 2.91Å
582	D	94.4	Very high	88.9	Confident	76 Å²	76	53.4 Å²	53.4	41%	0.406	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.4	175.8	61.4	5.8	0	0	0	113.7	K567 S580 L584	K567-D582 WeakPolarHBondContact CD-O 3.2Å; S580-D582 VanDerWaalsContact CB-OD1 3.27Å; S580-D582 WeakPolarHBondContact CB-OD1 3.46Å; S580-D582 PolarHBondContact O-N 3.34Å; S580-D582 PolarHBondContact OG-OD1 3.09Å; D582-L584 HydrophobicContact CB-CD1 4.39Å; D582-L584 HydrophobicContact CB-CG 4.38Å; D582-L584 PolarHBondContact O-N 3.1Å; D582-L584 PolarHBondContact OD1-N 3.05Å
583	C	96.4	Very high	87.3	Confident	27 Å²	27	60.7 Å²	60.7	18%	0.182	31%	0.314	C	S	.	.	S	Bend	trans	57.2	30.4	-174.8	-60.7	0	0	0	0	114.1	K567 L568 S580 N581	K567-C583 HydrophobicContact CB-CB 4.07Å; L568-C583 VanDerWaalsContact CB-O 3.28Å; L568-C583 WeakPolarHBondContact CB-O 3.45Å; L568-C583 WeakPolarHBondContact CG-O 3.46Å; L568-C583 PolarHBondContact N-O 3.18Å; L568-C583 WeakPolarHBondContact O-CB 3.26Å; S580-C583 WeakPolarHBondContact O-CA 3.48Å; S580-C583 PolarHBondContact O-N 3.02Å; N581-C583 PolarHBondContact O-N 2.91Å
584	L	96	Very high	85.9	Confident	44 Å²	44	67.8 Å²	67.8	23%	0.23	35%	0.345	C	S	.	.			trans	-104.3	-18.8	176.5	-65	175.6	0	0	0	113.3	K567 S580 D582 M729 I730	K567-L584 HydrophobicContact CG-CD2 4.02Å; S580-L584 PolarHBondContact OG-N 3.11Å; D582-L584 HydrophobicContact CB-CD1 4.39Å; D582-L584 HydrophobicContact CB-CG 4.38Å; D582-L584 PolarHBondContact O-N 3.1Å; D582-L584 PolarHBondContact OD1-N 3.05Å; L584-M729 CarbonylContact O-C 3.54Å; L584-M729 WeakPolarHBondContact O-CA 3.24Å; L584-I730 PolarHBondContact O-N 2.73Å
585	T	95.1	Very high	84.2	Confident	25 Å²	25	77 Å²	77	15%	0.153	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.9	178.3	-52.8	0	0	0	0	110	L579 S580 V728 M729	L579-T585 WeakPolarHBondContact CA-O 3.17Å; S580-T585 PolarHBondContact N-O 3.17Å; S580-T585 WeakPolarHBondContact OG-CB 3.36Å; S580-T585 PolarHBondContact OG-N 2.81Å; S580-T585 PolarHBondContact OG-O 2.91Å; T585-V728 WeakPolarHBondContact CA-O 3.44Å; T585-V728 WeakPolarHBondContact CG2-O 2.99Å; T585-M729 HydrophobicContact CG2-CB 4.45Å; T585-M729 WeakPolarHBondContact OG1-CE 3.36Å
586	M	94	Very high	82.6	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.2	164.7	63.7	171.9	73.3	0	0	110.4	L568 L577 L579 A610 F721 I723 S727 V728	L568-M586 HydrophobicContact CD1-CB 3.87Å; L568-M586 HydrophobicContact CD1-CE 3.65Å; L568-M586 HydrophobicContact CD1-CG 4.29Å; L568-M586 HydrophobicContact CD2-CE 3.39Å; L568-M586 HydrophobicContact CG-CE 4.15Å; L577-M586 HydrophobicContact CD1-SD 4.19Å; L579-M586 HydrophobicContact CD2-CB 3.65Å; M586-A610 HydrophobicContact CE-CB 3.69Å; M586-F721 HydrophobicContact CE-CB 3.41Å; M586-F721 VanDerWaalsContact CE-CB 3.41Å; M586-F721 HydrophobicContact CE-CD2 4.41Å; M586-F721 HydrophobicContact CE-CG 4.15Å; M586-F721 HydrophobicContact SD-CB 4.17Å; M586-I723 HydrophobicContact CG-CD1 4.06Å; M586-I723 HydrophobicContact SD-CD1 4.3Å; M586-I723 HydrophobicContact SD-CG1 4.1Å; M586-I723 HydrophobicContact SD-CG2 4.15Å; M586-S727 CarbonylContact O-C 3.52Å; M586-S727 WeakPolarHBondContact O-CA 3.43Å; M586-S727 VanDerWaalsContact O-CB 3.25Å; M586-S727 WeakPolarHBondContact O-CB 3.48Å; M586-V728 HydrophobicContact CG-CG2 3.45Å; M586-V728 VanDerWaalsContact CG-CG2 3.45Å; M586-V728 PolarHBondContact N-O 3.48Å; M586-V728 PolarHBondContact O-N 3.37Å; M586-V728 HydrophobicContact SD-CG2 4Å
587	E	92.9	Very high	81.3	Confident	76 Å²	76	79.6 Å²	79.6	36%	0.355	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144	176.6	-173.8	-176.3	171.1	0	0	109.5	L577 R578 D589 K726	L577-E587 CarbonylContact C-O 3.54Å; L577-E587 WeakPolarHBondContact CA-O 3.27Å; R578-E587 IonicContact CZ-OE2 2.95Å; R578-E587 PolarHBondContact N-O 3.18Å; R578-E587 IonicContact NE-OE2 2.66Å; R578-E587 IonicContact NH2-OE1 3.1Å; R578-E587 PolarHBondContact NH2-OE1 3.47Å; R578-E587 IonicContact NH2-OE2 4Å; R578-E587 PolarHBondContact NH2-OE2 3.22Å; R578-E587 PolarHBondContact O-N 3.01Å; E587-D589 PolarHBondContact O-N 3.23Å; E587-K726 WeakPolarHBondContact CA-O 3.38Å
588	K	88	Confident	80.3	Confident	26 Å²	26	81.3 Å²	81.3	11%	0.113	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123	172.2	-173.6	175.7	179.5	-157.5	0	110.5	E590 Y608 I723 W724 K726	K588-E590 WeakPolarHBondContact CD-OE1 3.4Å; K588-E590 VanDerWaalsContact CE-CD 3.47Å; K588-E590 WeakPolarHBondContact CE-OE1 3.46Å; K588-E590 IonicContact NZ-OE1 3.06Å; K588-E590 PolarHBondContact NZ-OE1 3.33Å; K588-E590 IonicContact NZ-OE2 3.75Å; K588-Y608 HydrophobicContact CD-CD2 3.98Å; K588-Y608 HydrophobicContact CD-CE2 3.93Å; K588-I723 HydrophobicContact CB-CD1 4.44Å; K588-W724 WeakPolarHBondContact CD-O 3.37Å; K588-W724 PolarHBondContact NZ-O 2.76Å; K588-K726 PolarHBondContact N-O 3.21Å
589	D	83.5	Confident	79.3	Confident	29 Å²	29	82.9 Å²	82.9	16%	0.155	44%	0.439	C	S	.	.			trans	-106.2	103.5	175.1	-170.5	-6.3	0	0	0	110.2	K576 R578 E587 S591	K576-D589 PolarHBondContact O-N 3.02Å; R578-D589 HydrophobicContact CB-CB 4Å; R578-D589 IonicContact NH1-OD1 2.73Å; R578-D589 PolarHBondContact NH1-OD1 3.34Å; R578-D589 IonicContact NH1-OD2 3.99Å; R578-D589 PolarHBondContact NH1-OD2 3.2Å; E587-D589 PolarHBondContact O-N 3.23Å; D589-S591 PolarHBondContact O-N 2.82Å; D589-S591 WeakPolarHBondContact OD1-CB 3.36Å; D589-S591 PolarHBondContact OD1-N 2.95Å; D589-S591 PolarHBondContact OD1-OG 3.28Å
590	E	73.4	Confident	78.6	Confident	131 Å²	131	86 Å²	86	61%	0.612	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-16.2	178.6	-61.1	-67.6	-179.1	0	0	112.7	K588	K588-E590 WeakPolarHBondContact CD-OE1 3.4Å; K588-E590 VanDerWaalsContact CE-CD 3.47Å; K588-E590 WeakPolarHBondContact CE-OE1 3.46Å; K588-E590 IonicContact NZ-OE1 3.06Å; K588-E590 PolarHBondContact NZ-OE1 3.33Å; K588-E590 IonicContact NZ-OE2 3.75Å
591	S	71.7	Confident	78.2	Confident	94 Å²	94	86.2 Å²	86.2	66%	0.657	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.1	-176.7	72.5	0	0	0	0	114.4	D589 L593	D589-S591 PolarHBondContact O-N 2.82Å; D589-S591 WeakPolarHBondContact OD1-CB 3.36Å; D589-S591 PolarHBondContact OD1-N 2.95Å; D589-S591 PolarHBondContact OD1-OG 3.28Å; S591-L593 PolarHBondContact O-N 3.44Å
592	S	66.6	Low	77.9	Confident	25 Å²	25	78 Å²	78	18%	0.175	40%	0.403	C	S	.	.			trans	-69.8	112.3	-173.3	-179.5	0	0	0	0	112.9	K575	K575-S592 WeakPolarHBondContact O-CB 3.35Å; K575-S592 PolarHBondContact O-OG 3.05Å
593	L	58.6	Low	77.4	Confident	167 Å²	167	78.2 Å²	78.2	87%	0.874	41%	0.411	S	S	*	.			trans	-94.9	13	172.8	-67.6	169.9	0	0	0	113.3	S591 K595	S591-L593 PolarHBondContact O-N 3.44Å; L593-K595 PolarHBondContact O-N 3.45Å; L593-K595 VanDerWaalsContact O-N 3.1Å
594	K	62.7	Low	76.4	Confident	154 Å²	154	77.1 Å²	77.1	67%	0.67	40%	0.404	S	S	*	.			trans	-63.3	113.5	-173.4	-68.8	-178.2	-179.1	177.7	0	111.5
595	K	54.9	Low	75.3	Confident	200 Å²	200	82.1 Å²	82.1	87%	0.87	44%	0.437	S	S	*	.			trans	-87	110.2	165.9	-69.9	-177.3	-178.9	178.7	0	108.5	L593	L593-K595 PolarHBondContact O-N 3.45Å; L593-K595 VanDerWaalsContact O-N 3.1Å
596	S	54.8	Low	74.2	Confident	52 Å²	52	81.2 Å²	81.2	36%	0.364	43%	0.433	S	S	.	.			trans	-144.4	120.4	171	179.7	0	0	0	0	108.1	R601	S596-R601 PolarHBondContact OG-NH2 3.16Å
597	H	60.8	Low	73.3	Confident	186 Å²	186	81.7 Å²	81.7	86%	0.861	44%	0.436	S	S	*	.			trans	-104	75.1	178.5	-69.9	-71.8	0	0	0	108.8
598	T	69.3	Low	73.1	Confident	50 Å²	50	79 Å²	79	31%	0.307	42%	0.423	S	S	.	.			trans	-95.3	124.9	165.5	45.2	0	0	0	0	108.2	K571 E600 R601	K571-T598 PolarHBondContact O-OG1 2.6Å; T598-E600 PolarHBondContact O-N 2.9Å; T598-R601 WeakPolarHBondContact O-CB 3.34Å; T598-R601 PolarHBondContact O-N 3.36Å; T598-R601 WeakPolarHBondContact OG1-CB 3.42Å; T598-R601 PolarHBondContact OG1-NE 3.14Å; T598-R601 PolarHBondContact OG1-NH2 2.9Å
599	P	71.2	Confident	73.4	Confident	131 Å²	131	77.7 Å²	77.7	85%	0.851	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.3	-175.4	22.7	-31.7	0	0	0	113.4	R601	P599-R601 PolarHBondContact O-N 3.45Å
600	E	77.9	Confident	73.9	Confident	98 Å²	98	76.3 Å²	76.3	46%	0.458	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.5	177.3	-60.4	173.4	159.1	0	0	113.3	T598	T598-E600 PolarHBondContact O-N 2.9Å
601	R	86.8	Confident	75	Confident	43 Å²	43	70.3 Å²	70.3	16%	0.162	38%	0.382	C	S	.	.	S	Bend	trans	-81.7	140.5	-173.8	-158.4	-179.6	-70.6	-81.3	-4.5	112.2	P570 T572 A573 S596 T598 P599 S603	P570-R601 PolarHBondContact O-NH1 3.11Å; T572-R601 WeakPolarHBondContact O-CA 3.49Å; T572-R601 WeakPolarHBondContact O-CG 2.96Å; A573-R601 WeakPolarHBondContact O-CD 3.32Å; A573-R601 WeakPolarHBondContact O-CG 3.45Å; A573-R601 PolarHBondContact O-NH1 3.46Å; S596-R601 PolarHBondContact OG-NH2 3.16Å; T598-R601 WeakPolarHBondContact O-CB 3.34Å; T598-R601 PolarHBondContact O-N 3.36Å; T598-R601 WeakPolarHBondContact OG1-CB 3.42Å; T598-R601 PolarHBondContact OG1-NE 3.14Å; T598-R601 PolarHBondContact OG1-NH2 2.9Å; P599-R601 PolarHBondContact O-N 3.45Å; R601-S603 PolarHBondContact O-N 3.32Å
602	F	87.6	Confident	76.1	Confident	3 Å²	3	66 Å²	66	1%	0.013	35%	0.353	C	S	.	.			trans	-56.3	126.7	162	-72.8	-86.3	0	0	0	110.3	T572 H574 G609 A611 K644 M722	T572-F602 VanDerWaalsContact O-CD2 3.26Å; T572-F602 WeakPolarHBondContact O-CD2 3.15Å; T572-F602 PolarHBondContact O-N 3.04Å; H574-F602 WeakPolarHBondContact CA-O 3.26Å; H574-F602 HydrophobicContact CB-CB 3.9Å; H574-F602 PolarHBondContact CD2-O 2.99Å; F602-G609 WeakPolarHBondContact CD2-O 3.24Å; F602-A611 HydrophobicContact CE2-CB 4.46Å; F602-K644 VanDerWaalsContact CA-O 3.31Å; F602-K644 WeakPolarHBondContact CA-O 3.29Å; F602-K644 HydrophobicContact CD1-CB 4.14Å; F602-K644 HydrophobicContact CD1-CD 3.94Å; F602-K644 HydrophobicContact CD2-CD 4.22Å; F602-K644 HydrophobicContact CE1-CD 3.58Å; F602-K644 HydrophobicContact CE2-CD 3.87Å; F602-K644 HydrophobicContact CG-CB 4.42Å; F602-K644 HydrophobicContact CG-CD 4.26Å; F602-K644 HydrophobicContact CZ-CD 3.55Å; F602-M722 HydrophobicContact CD1-CE 3.73Å; F602-M722 HydrophobicContact CE1-CE 3.83Å
603	S	84.2	Confident	77.5	Confident	81 Å²	81	68.7 Å²	68.7	57%	0.566	37%	0.365	S	S	*	.			trans	-132	-6.9	-170	56.1	0	0	0	0	114	R601 K644	R601-S603 PolarHBondContact O-N 3.32Å; S603-K644 PolarHBondContact N-O 2.89Å
604	G	75.1	Confident	79.2	Confident	4 Å²	4	62 Å²	62	4%	0.041	33%	0.332	C	S	.	.			trans	-64.7	137.1	-176.9	0	0	0	0	0	113.5	G606 S607 N645	G604-G606 PolarHBondContact O-N 3.44Å; G604-S607 PolarHBondContact O-N 3.24Å; G604-N645 WeakPolarHBondContact CA-O 3.41Å
605	T	72.1	Confident	80.8	Confident	149 Å²	149	59.5 Å²	59.5	91%	0.914	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	105.1	171.4	47	0	0	0	0	109.4
606	G	72.4	Confident	82.7	Confident	7 Å²	7	50.1 Å²	50.1	7%	0.072	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	7.6	-176.3	0	0	0	0	0	115.1	G604 W647 W724	G604-G606 PolarHBondContact O-N 3.44Å; G606-W647 VanDerWaalsContact O-CZ3 3.23Å; G606-W647 WeakPolarHBondContact O-CZ3 3.48Å; G606-W724 VanDerWaalsContact C-CZ3 3.43Å; G606-W724 WeakPolarHBondContact O-CZ3 3.5Å
607	S	74.1	Confident	84.5	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.063	29%	0.287	C	S	.	.			trans	-116	77.8	177.3	-78.2	0	0	0	0	109.5	G604 G609 E646 W647	G604-S607 PolarHBondContact O-N 3.24Å; S607-G609 PolarHBondContact O-N 3.48Å; S607-G609 VanDerWaalsContact O-N 3.14Å; S607-E646 WeakPolarHBondContact CB-O 3.38Å; S607-E646 PolarHBondContact OG-O 2.98Å; S607-W647 PolarHBondContact OG-N 3.28Å
608	Y	90.3	Very high	86	Confident	19 Å²	19	44.9 Å²	44.9	8%	0.075	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	85	-179.2	-37.3	-54	0	0	0	109.8	H574 K576 K588 M722 I723 W724	H574-Y608 AromaticContact CE1-CD1 3.49Å; H574-Y608 VanDerWaalsContact CE1-CD1 3.49Å; H574-Y608 WeakPolarHBondContact CE1-CD1 3.42Å; H574-Y608 AromaticContact CE1-CE1 3.82Å; H574-Y608 AromaticContact CG-CD1 3.96Å; H574-Y608 AromaticContact ND1-CD1 3.46Å; H574-Y608 WeakPolarHBondContact ND1-CD1 3.13Å; H574-Y608 AromaticContact NE2-CD1 3.99Å; K576-Y608 HydrophobicContact CB-CD1 4.35Å; K576-Y608 HydrophobicContact CB-CE1 4.48Å; K576-Y608 HydrophobicContact CD-CE1 3.91Å; K588-Y608 HydrophobicContact CD-CD2 3.98Å; K588-Y608 HydrophobicContact CD-CE2 3.93Å; Y608-M722 WeakPolarHBondContact O-CA 3.15Å; Y608-I723 WeakPolarHBondContact CB-O 3.21Å; Y608-I723 VanDerWaalsContact CD2-O 3.31Å; Y608-I723 WeakPolarHBondContact CD2-O 3.36Å; Y608-I723 PolarHBondContact O-N 2.81Å; Y608-W724 HydrophobicContact CE2-CD2 4.13Å; Y608-W724 HydrophobicContact CE2-CE3 4.18Å
609	G	92.9	Very high	87	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	161.1	-178.4	0	0	0	0	0	114.8	A573 H574 L577 F602 S607 F721	A573-G609 CarbonylContact C-O 3.55Å; A573-G609 WeakPolarHBondContact CA-O 3.09Å; H574-G609 PolarHBondContact N-O 2.99Å; L577-G609 WeakPolarHBondContact CD1-O 3.46Å; F602-G609 WeakPolarHBondContact CD2-O 3.24Å; S607-G609 PolarHBondContact O-N 3.48Å; S607-G609 VanDerWaalsContact O-N 3.14Å; G609-F721 CarbonylContact C-O 3.51Å; G609-F721 WeakPolarHBondContact CA-O 3.45Å
610	A	94.9	Very high	88	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	154.1	160.8	0	0	0	0	0	109.3	L568 A573 L577 M586 F721	L568-A610 HydrophobicContact CD2-CB 4.17Å; A573-A610 HydrophobicContact CB-CB 3.79Å; L577-A610 HydrophobicContact CD1-CB 4.43Å; M586-A610 HydrophobicContact CE-CB 3.69Å; A610-F721 PolarHBondContact N-O 2.83Å; A610-F721 PolarHBondContact O-N 2.65Å; A610-F721 VanDerWaalsContact O-O 3.07Å
611	A	95.4	Very high	88.8	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	160.3	174.1	0	0	0	0	0	110.5	D569 T572 F602 V718 P719	D569-A611 PolarHBondContact N-O 2.97Å; T572-A611 HydrophobicContact CG2-CB 4.24Å; T572-A611 PolarHBondContact OG1-N 3.14Å; F602-A611 HydrophobicContact CE2-CB 4.46Å; A611-V718 HydrophobicContact CB-CG1 4.28Å; A611-V718 HydrophobicContact CB-CG2 4.08Å; A611-P719 CarbonylContact C-O 3.58Å; A611-P719 WeakPolarHBondContact CA-O 3.36Å
612	G	96.4	Very high	89.3	Confident	4 Å²	4	30.5 Å²	30.5	4%	0.041	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-63.5	160.9	165.4	0	0	0	0	0	111.9	K567 V718 P719	K567-G612 CarbonylContact O-C 3.56Å; K567-G612 VanDerWaalsContact O-CA 3.26Å; K567-G612 WeakPolarHBondContact O-CA 3.48Å; G612-V718 WeakPolarHBondContact O-CG2 3.3Å; G612-P719 PolarHBondContact N-O 3.28Å
613	N	95.3	Very high	89.7	Confident	82 Å²	82	30.4 Å²	30.4	44%	0.439	18%	0.177	S	C	.	.	S	Bend	trans	-91.6	4.5	177.1	71.6	-34.9	0	0	0	113.9	K567 D569	K567-N613 PolarHBondContact N-OD1 3.12Å; K567-N613 PolarHBondContact O-N 3.15Å; K567-N613 PolarHBondContact O-OD1 3.41Å; K567-N613 VanDerWaalsContact O-OD1 3.04Å; D569-N613 HydrophobicContact CB-CB 4.12Å
614	V	95.1	Very high	90.4	Very high	27 Å²	27	27.4 Å²	27.4	16%	0.164	15%	0.154	C	C	.	.			trans	-123	136.1	-176.6	169.5	0	0	0	0	109.4	Q564 F566 I616 V718	Q564-V614 HydrophobicContact CB-CG1 4.46Å; Q564-V614 HydrophobicContact CG-CG1 3.58Å; Q564-V614 HydrophobicContact CG-CG2 4.4Å; F566-V614 HydrophobicContact CB-CB 3.76Å; F566-V614 HydrophobicContact CB-CG2 3.65Å; V614-I616 HydrophobicContact CG1-CG1 4.37Å; V614-V718 WeakPolarHBondContact O-CG2 3.44Å
615	F	95.1	Very high	91.5	Very high	100 Å²	100	27.2 Å²	27.2	44%	0.439	15%	0.152	S	C	.	.			trans	-96.9	136.4	168.5	-66.7	-85	0	0	0	109.2	K640 P716 V717 V718	F615-K640 HydrophobicContact CE1-CB 3.74Å; F615-K640 HydrophobicContact CE1-CD 4.19Å; F615-K640 HydrophobicContact CE1-CG 4.05Å; F615-K640 HydrophobicContact CZ-CB 4.22Å; F615-K640 HydrophobicContact CZ-CD 3.87Å; F615-K640 HydrophobicContact CZ-CG 3.99Å; F615-P716 HydrophobicContact CB-CB 3.99Å; F615-P716 HydrophobicContact CD1-CB 4.45Å; F615-V717 CarbonylContact C-O 3.55Å; F615-V717 WeakPolarHBondContact CA-O 3.5Å; F615-V718 HydrophobicContact CD1-CB 4.1Å; F615-V718 HydrophobicContact CE1-CB 4.05Å; F615-V718 HydrophobicContact CE1-CG1 4.25Å
616	I	94.8	Very high	92.7	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-112.2	126.5	178.7	-59.7	169.7	0	0	0	107.3	V614 H621 W623 L688 P716 V717 P719	V614-I616 HydrophobicContact CG1-CG1 4.37Å; I616-H621 HydrophobicContact CD1-CB 4.12Å; I616-H621 VanDerWaalsContact CG2-CD2 3.4Å; I616-H621 WeakPolarHBondContact CG2-CD2 3.34Å; I616-H621 WeakPolarHBondContact CG2-NE2 3.38Å; I616-W623 HydrophobicContact CD1-CZ3 4.38Å; I616-L688 HydrophobicContact CB-CD2 4Å; I616-L688 HydrophobicContact CD1-CD2 3.9Å; I616-L688 HydrophobicContact CG2-CD2 3.69Å; I616-P716 CarbonylContact O-C 3.45Å; I616-P716 VanDerWaalsContact O-CA 3.29Å; I616-P716 WeakPolarHBondContact O-CA 3.33Å; I616-V717 HydrophobicContact CB-CG2 4.36Å; I616-V717 PolarHBondContact N-O 3.5Å; I616-V717 PolarHBondContact O-N 3.4Å; I616-P719 HydrophobicContact CD1-CG 4.4Å
617	D	93.4	Very high	93.7	Very high	96 Å²	96	22.3 Å²	22.3	51%	0.513	12%	0.118	S	C	.	.			trans	-133	3.4	-173.8	63.5	1.7	0	0	0	113.8	Y690 P716	D617-Y690 VanDerWaalsContact C-CD1 3.44Å; D617-Y690 VanDerWaalsContact C-CE1 3.43Å; D617-Y690 VanDerWaalsContact O-CD1 3.28Å; D617-Y690 WeakPolarHBondContact O-CD1 3.31Å; D617-Y690 WeakPolarHBondContact O-CE1 3.35Å; D617-P716 HydrophobicContact CB-CB 3.91Å; D617-P716 HydrophobicContact CB-CG 3.78Å
618	S	91.3	Very high	94.1	Very high	31 Å²	31	24.5 Å²	24.5	22%	0.217	14%	0.142	C	C	.	.	S	Bend	trans	-166.4	165.8	-178.3	50.2	0	0	0	0	109.6	H621	S618-H621 PolarHBondContact O-CD2 2.78Å; S618-H621 PolarHBondContact O-NE2 3.48Å
619	G	90.3	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	79.2	-177.8	170.9	0	0	0	0	0	115.3	Y690 D691	G619-Y690 WeakPolarHBondContact O-CB 3.49Å; G619-Y690 PolarHBondContact O-N 2.91Å; G619-D691 VanDerWaalsContact CA-OD2 3.28Å; G619-D691 WeakPolarHBondContact CA-OD2 3.41Å; G619-D691 VanDerWaalsContact N-CG 3.27Å; G619-D691 PolarHBondContact N-OD1 3.32Å; G619-D691 PolarHBondContact N-OD2 3.38Å
620	C	92.6	Very high	93.7	Very high	11 Å²	11	26.5 Å²	26.5	7%	0.074	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.1	-178	177.8	0	0	0	0	110.4	G536 K560 L688	G536-C620 WeakPolarHBondContact CA-O 3.47Å; G536-C620 PolarHBondContact O-N 2.84Å; K560-C620 PolarHBondContact NZ-SG 2.93Å; K560-C620 VanDerWaalsContact NZ-SG 3.38Å; C620-L688 CarbonylContact C-O 3.55Å; C620-L688 WeakPolarHBondContact CA-O 3.4Å
621	H	95.4	Very high	93.5	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.2	-170.2	-63.4	-102.3	0	0	0	111.6	Q564 I616 S618 W623 L687 L688	Q564-H621 PolarHBondContact N-ND1 3.16Å; I616-H621 HydrophobicContact CD1-CB 4.12Å; I616-H621 VanDerWaalsContact CG2-CD2 3.4Å; I616-H621 WeakPolarHBondContact CG2-CD2 3.34Å; I616-H621 WeakPolarHBondContact CG2-NE2 3.38Å; S618-H621 PolarHBondContact O-CD2 2.78Å; S618-H621 PolarHBondContact O-NE2 3.48Å; H621-W623 HydrophobicContact CB-CZ3 4.28Å; H621-L687 CarbonylContact O-C 3.57Å; H621-L687 WeakPolarHBondContact O-CA 3.42Å; H621-L688 PolarHBondContact N-O 3.43Å; H621-L688 PolarHBondContact O-N 3.38Å
622	Y	96.3	Very high	93.4	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137	176.6	-177.5	-104.7	0	0	0	111.4	S563 E624 G685 V686 L687 A700 L734 P735 P737	S563-Y622 WeakPolarHBondContact CB-O 3.32Å; S563-Y622 PolarHBondContact OG-N 3.34Å; S563-Y622 PolarHBondContact OG-O 3.36Å; Y622-E624 HydrophobicContact CE1-CG 3.58Å; Y622-E624 WeakPolarHBondContact CE1-OE1 3.35Å; Y622-E624 VanDerWaalsContact OH-CG 3.27Å; Y622-E624 WeakPolarHBondContact OH-CG 3.5Å; Y622-E624 PolarHBondContact OH-OE1 2.86Å; Y622-G685 WeakPolarHBondContact OH-CA 3.43Å; Y622-V686 WeakPolarHBondContact CA-O 3.31Å; Y622-V686 VanDerWaalsContact CD2-O 3.27Å; Y622-V686 WeakPolarHBondContact CD2-O 3.33Å; Y622-L687 HydrophobicContact CD2-CB 4.18Å; Y622-L687 HydrophobicContact CD2-CD1 4.25Å; Y622-A700 WeakPolarHBondContact OH-CB 3.43Å; Y622-L734 HydrophobicContact CD1-CB 3.85Å; Y622-L734 HydrophobicContact CD1-CD1 4.27Å; Y622-L734 HydrophobicContact CE1-CB 4.41Å; Y622-L734 HydrophobicContact CE1-CD1 4.09Å; Y622-P735 WeakPolarHBondContact CD1-O 3.47Å; Y622-P737 HydrophobicContact CD1-CG 3.93Å; Y622-P737 HydrophobicContact CE1-CG 3.45Å; Y622-P737 VanDerWaalsContact CE1-CG 3.45Å; Y622-P737 HydrophobicContact CE2-CG 4.2Å; Y622-P737 HydrophobicContact CG-CG 4.49Å
623	W	97.6	Very high	93.3	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	159.3	170.1	64.7	92.3	0	0	0	110.3	F566 I616 H621 V637 V686 L688 P719 L731	F566-W623 HydrophobicContact CE1-CB 3.94Å; F566-W623 AromaticContact CE1-CD2 3.92Å; F566-W623 HydrophobicContact CE1-CD2 3.92Å; F566-W623 HydrophobicContact CE1-CE3 4.15Å; F566-W623 AromaticContact CE1-CG 3.85Å; F566-W623 HydrophobicContact CE1-CG 3.85Å; F566-W623 HydrophobicContact CZ-CB 4.04Å; F566-W623 AromaticContact CZ-CD1 3.87Å; F566-W623 AromaticContact CZ-CD2 3.95Å; F566-W623 HydrophobicContact CZ-CD2 3.95Å; F566-W623 AromaticContact CZ-CG 3.67Å; F566-W623 HydrophobicContact CZ-CG 3.67Å; I616-W623 HydrophobicContact CD1-CZ3 4.38Å; H621-W623 HydrophobicContact CB-CZ3 4.28Å; W623-V637 HydrophobicContact CH2-CG1 3.59Å; W623-V637 HydrophobicContact CZ2-CG1 3.9Å; W623-V686 HydrophobicContact CD2-CB 4.03Å; W623-V686 HydrophobicContact CD2-CG1 4.44Å; W623-V686 HydrophobicContact CG-CB 4.43Å; W623-V686 HydrophobicContact CH2-CB 4.38Å; W623-V686 HydrophobicContact CH2-CG1 3.75Å; W623-V686 HydrophobicContact CZ2-CB 3.77Å; W623-V686 HydrophobicContact CZ2-CG1 3.32Å; W623-V686 HydrophobicContact CZ2-CG2 4.44Å; W623-V686 HydrophobicContact CZ3-CG1 4.45Å; W623-V686 PolarHBondContact N-O 3.44Å; W623-V686 PolarHBondContact O-N 2.9Å; W623-L688 HydrophobicContact CH2-CB 3.95Å; W623-L688 HydrophobicContact CH2-CD2 4.47Å; W623-L688 HydrophobicContact CZ3-CB 3.81Å; W623-L688 HydrophobicContact CZ3-CD2 4.49Å; W623-P719 HydrophobicContact CH2-CG 4.28Å; W623-P719 HydrophobicContact CZ2-CB 4.07Å; W623-P719 HydrophobicContact CZ2-CG 4.17Å; W623-L731 WeakPolarHBondContact CA-O 3.39Å; W623-L731 WeakPolarHBondContact CB-O 3.22Å
624	E	97.5	Very high	93.4	Very high	18 Å²	18	28.7 Å²	28.7	8%	0.084	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.9	177.9	-67.5	177.3	173.9	0	0	111.1	Y622 R683 L684 A700 L731 L734	Y622-E624 HydrophobicContact CE1-CG 3.58Å; Y622-E624 WeakPolarHBondContact CE1-OE1 3.35Å; Y622-E624 VanDerWaalsContact OH-CG 3.27Å; Y622-E624 WeakPolarHBondContact OH-CG 3.5Å; Y622-E624 PolarHBondContact OH-OE1 2.86Å; E624-R683 HydrophobicContact CB-CG 4.21Å; E624-R683 HydrophobicContact CG-CG 4.44Å; E624-R683 WeakPolarHBondContact OE2-CD 3.32Å; E624-R683 IonicContact OE2-CZ 2.65Å; E624-R683 IonicContact OE2-NE 2.68Å; E624-R683 IonicContact OE2-NH1 3Å; E624-R683 PolarHBondContact OE2-NH1 2.88Å; E624-L684 CarbonylContact C-O 3.5Å; E624-L684 VanDerWaalsContact CA-O 3.31Å; E624-L684 WeakPolarHBondContact CA-O 3.14Å; E624-A700 HydrophobicContact CG-CB 4.26Å; E624-A700 WeakPolarHBondContact OE1-CB 3.09Å; E624-L731 HydrophobicContact CB-CB 4.18Å; E624-L731 HydrophobicContact CB-CD1 4.29Å; E624-L731 PolarHBondContact N-O 3.47Å; E624-L731 PolarHBondContact O-N 3.22Å; E624-L734 HydrophobicContact CB-CD1 3.93Å; E624-L734 HydrophobicContact CG-CD1 3.66Å
625	V	97.9	Very high	93.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.5	173.5	-170.8	0	0	0	0	109.4	L627 I635 R683 L684 F721 V728 M729 I730	V625-L627 HydrophobicContact CB-CD2 4.45Å; V625-L627 HydrophobicContact CG1-CD2 4.14Å; V625-L627 PolarHBondContact O-N 3.18Å; V625-I635 HydrophobicContact CB-CD1 3.97Å; V625-I635 HydrophobicContact CG1-CD1 3.7Å; V625-I635 HydrophobicContact CG2-CD1 4.25Å; V625-I635 HydrophobicContact CG2-CG2 3.8Å; V625-R683 WeakPolarHBondContact O-CA 3.39Å; V625-L684 PolarHBondContact N-O 2.95Å; V625-L684 PolarHBondContact O-N 3.03Å; V625-F721 HydrophobicContact CG2-CD1 4.24Å; V625-F721 HydrophobicContact CG2-CE1 3.73Å; V625-V728 HydrophobicContact CG1-CB 3.92Å; V625-V728 HydrophobicContact CG1-CG2 4.4Å; V625-M729 CarbonylContact C-O 3.49Å; V625-M729 WeakPolarHBondContact CA-O 3.38Å; V625-I730 HydrophobicContact CG2-CG1 4.46Å
626	L	97.3	Very high	93.7	Very high	51 Å²	51	22.7 Å²	22.7	27%	0.267	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	112.8	169.2	-57.7	179.1	0	0	0	108.3	G628 R683 V728 M729 L731	L626-G628 VanDerWaalsContact C-N 3.25Å; L626-G628 PolarHBondContact O-N 3.17Å; L626-R683 HydrophobicContact CD2-CB 4.26Å; L626-R683 HydrophobicContact CD2-CG 3.99Å; L626-V728 WeakPolarHBondContact O-CA 3.35Å; L626-M729 HydrophobicContact CB-CB 4.24Å; L626-M729 HydrophobicContact CD1-CG 4.49Å; L626-M729 HydrophobicContact CD1-SD 3.91Å; L626-M729 PolarHBondContact N-O 2.89Å; L626-M729 PolarHBondContact O-N 3.43Å; L626-L731 HydrophobicContact CD1-CD1 4.27Å; L626-L731 HydrophobicContact CD1-CD2 4.5Å; L626-L731 HydrophobicContact CD1-CG 4.5Å; L626-L731 HydrophobicContact CD2-CD1 4.21Å; L626-L731 HydrophobicContact CG-CD1 4.12Å; L626-L731 HydrophobicContact CG-CG 4.38Å
627	L	94.2	Very high	93.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.137	C	C	.	.			trans	-81.6	-7	-170.7	-59.4	170	0	0	0	112.9	V625 A629 S630 Y633 I635 L681 R682 L684	V625-L627 HydrophobicContact CB-CD2 4.45Å; V625-L627 HydrophobicContact CG1-CD2 4.14Å; V625-L627 PolarHBondContact O-N 3.18Å; L627-A629 PolarHBondContact O-N 3.43Å; L627-S630 VanDerWaalsContact O-CB 3.27Å; L627-S630 WeakPolarHBondContact O-CB 3.46Å; L627-S630 PolarHBondContact O-N 3.29Å; L627-Y633 HydrophobicContact CB-CE1 4.3Å; L627-Y633 HydrophobicContact CD1-CE1 4.2Å; L627-Y633 HydrophobicContact CD1-CE2 4.33Å; L627-Y633 WeakPolarHBondContact CD1-OH 3.35Å; L627-Y633 HydrophobicContact CD2-CD1 4.28Å; L627-Y633 HydrophobicContact CD2-CD2 4.14Å; L627-Y633 HydrophobicContact CD2-CE1 3.93Å; L627-Y633 HydrophobicContact CD2-CE2 3.8Å; L627-Y633 HydrophobicContact CD2-CG 4.38Å; L627-Y633 HydrophobicContact CG-CE1 4.35Å; L627-I635 HydrophobicContact CD2-CD1 3.33Å; L627-L681 HydrophobicContact CD1-CD2 3.84Å; L627-L681 HydrophobicContact CD1-CG 3.78Å; L627-R682 PolarHBondContact N-O 3.44Å; L627-L684 HydrophobicContact CD1-CB 4.07Å; L627-L684 HydrophobicContact CD2-CB 4.34Å; L627-L684 HydrophobicContact CG-CB 4.4Å
628	G	82.1	Confident	94	Very high	55 Å²	55	18 Å²	18	57%	0.567	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	-129.1	-177.2	0	0	0	0	0	110.9	L626	L626-G628 VanDerWaalsContact C-N 3.25Å; L626-G628 PolarHBondContact O-N 3.17Å
629	A	84.1	Confident	94.2	Very high	61 Å²	61	17.3 Å²	17.3	50%	0.504	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	14.1	171	0	0	0	0	0	112.6	L627 K726	L627-A629 PolarHBondContact O-N 3.43Å; A629-K726 HydrophobicContact CB-CD 3.78Å; A629-K726 VanDerWaalsContact CB-NZ 3.32Å; A629-K726 WeakPolarHBondContact O-CD 3.28Å; A629-K726 WeakPolarHBondContact O-CE 3.46Å; A629-K726 PolarHBondContact O-NZ 2.79Å
630	S	90.1	Very high	94.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	14%	0.136	C	C	.	.			trans	-62.8	133.9	-179.6	-168.7	0	0	0	0	110.6	L627 N725	L627-S630 VanDerWaalsContact O-CB 3.27Å; L627-S630 WeakPolarHBondContact O-CB 3.46Å; L627-S630 PolarHBondContact O-N 3.29Å; S630-N725 PolarHBondContact OG-O 2.8Å; S630-N725 PolarHBondContact OG-OD1 2.79Å
631	T	91.6	Very high	94.1	Very high	33 Å²	33	27.5 Å²	27.5	20%	0.202	16%	0.159	C	C	.	.	S	Bend	trans	-114.3	-0.5	179.6	54.9	0	0	0	0	112.3	R659 N661 N725	T631-R659 WeakPolarHBondContact O-CG 3.16Å; T631-N661 WeakPolarHBondContact O-CA 3.35Å; T631-N661 PolarHBondContact O-N 3Å; T631-N725 PolarHBondContact N-OD1 3.17Å; T631-N725 VanDerWaalsContact N-OD1 3.08Å; T631-N725 PolarHBondContact OG1-ND2 2.95Å
632	W	93.4	Very high	93.9	Very high	103 Å²	103	27.4 Å²	27.4	39%	0.39	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	101.4	-178	-81.4	75	0	0	0	109.9	R659 C660 I723 W724 N725	W632-R659 VanDerWaalsContact CA-O 3.29Å; W632-R659 WeakPolarHBondContact CA-O 3.14Å; W632-C660 HydrophobicContact CH2-CB 4.33Å; W632-C660 HydrophobicContact CZ2-CB 4.39Å; W632-C660 HydrophobicContact CZ3-CB 4.4Å; W632-I723 WeakPolarHBondContact O-CA 3.49Å; W632-W724 HydrophobicContact CB-CB 3.5Å; W632-W724 VanDerWaalsContact CB-CB 3.5Å; W632-W724 HydrophobicContact CB-CG 4.4Å; W632-W724 HydrophobicContact CG-CB 4.28Å; W632-W724 PolarHBondContact O-N 3.48Å; W632-N725 PolarHBondContact N-OD1 2.92Å
633	Y	95.1	Very high	93.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	162.1	-178.8	57.2	-101.8	0	0	0	112	L627 I635 F657 S658 R659 M722	L627-Y633 HydrophobicContact CB-CE1 4.3Å; L627-Y633 HydrophobicContact CD1-CE1 4.2Å; L627-Y633 HydrophobicContact CD1-CE2 4.33Å; L627-Y633 WeakPolarHBondContact CD1-OH 3.35Å; L627-Y633 HydrophobicContact CD2-CD1 4.28Å; L627-Y633 HydrophobicContact CD2-CD2 4.14Å; L627-Y633 HydrophobicContact CD2-CE1 3.93Å; L627-Y633 HydrophobicContact CD2-CE2 3.8Å; L627-Y633 HydrophobicContact CD2-CG 4.38Å; L627-Y633 HydrophobicContact CG-CE1 4.35Å; Y633-I635 HydrophobicContact CD2-CD1 3.7Å; Y633-I635 HydrophobicContact CD2-CG1 4.11Å; Y633-I635 HydrophobicContact CE2-CD1 4.12Å; Y633-I635 HydrophobicContact CG-CD1 4.35Å; Y633-F657 HydrophobicContact CE2-CD1 4Å; Y633-F657 AromaticContact CE2-CE1 3.85Å; Y633-F657 HydrophobicContact CE2-CE1 3.85Å; Y633-S658 CarbonylContact O-C 3.58Å; Y633-S658 WeakPolarHBondContact O-CA 3.5Å; Y633-S658 WeakPolarHBondContact O-CB 3.47Å; Y633-R659 HydrophobicContact CD1-CB 4Å; Y633-R659 HydrophobicContact CD2-CB 4.22Å; Y633-R659 HydrophobicContact CE1-CB 3.49Å; Y633-R659 VanDerWaalsContact CE1-CB 3.49Å; Y633-R659 HydrophobicContact CE1-CG 4.14Å; Y633-R659 HydrophobicContact CE2-CB 3.73Å; Y633-R659 HydrophobicContact CG-CB 4.34Å; Y633-R659 PolarHBondContact N-O 2.93Å; Y633-R659 VanDerWaalsContact N-O 3.16Å; Y633-R659 PolarHBondContact O-N 2.86Å; Y633-M722 CarbonylContact C-O 3.56Å; Y633-M722 WeakPolarHBondContact CA-O 3.47Å; Y633-M722 VanDerWaalsContact CB-O 3.29Å; Y633-M722 WeakPolarHBondContact CB-O 3.35Å
634	A	96.4	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	127.3	168	0	0	0	0	0	109.5	W647 V656 F657 S658 F721 M722	A634-W647 HydrophobicContact CB-CZ2 3.99Å; A634-V656 HydrophobicContact CB-CB 4.27Å; A634-V656 HydrophobicContact CB-CG2 4.06Å; A634-F657 CarbonylContact C-O 3.57Å; A634-F657 WeakPolarHBondContact CA-O 3.5Å; A634-S658 WeakPolarHBondContact CB-OG 3.39Å; A634-F721 CarbonylContact O-C 3.54Å; A634-F721 WeakPolarHBondContact O-CA 3.35Å; A634-M722 HydrophobicContact CB-CB 4.25Å; A634-M722 PolarHBondContact N-O 3.09Å; A634-M722 PolarHBondContact O-N 2.85Å
635	I	98.2	Very high	92.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.6	-172.6	-62.2	163.8	0	0	0	108.4	V625 L627 Y633 V656 F657 L684 V686 F697 T720 F721	V625-I635 HydrophobicContact CB-CD1 3.97Å; V625-I635 HydrophobicContact CG1-CD1 3.7Å; V625-I635 HydrophobicContact CG2-CD1 4.25Å; V625-I635 HydrophobicContact CG2-CG2 3.8Å; L627-I635 HydrophobicContact CD2-CD1 3.33Å; Y633-I635 HydrophobicContact CD2-CD1 3.7Å; Y633-I635 HydrophobicContact CD2-CG1 4.11Å; Y633-I635 HydrophobicContact CE2-CD1 4.12Å; Y633-I635 HydrophobicContact CG-CD1 4.35Å; I635-V656 CarbonylContact O-C 3.59Å; I635-V656 WeakPolarHBondContact O-CA 3.36Å; I635-F657 PolarHBondContact N-O 3.4Å; I635-F657 PolarHBondContact O-N 3.12Å; I635-L684 HydrophobicContact CB-CD2 3.91Å; I635-L684 HydrophobicContact CD1-CD2 3.93Å; I635-L684 HydrophobicContact CG2-CD2 3.95Å; I635-V686 HydrophobicContact CG2-CG2 4.1Å; I635-F697 WeakPolarHBondContact O-CE1 3.33Å; I635-T720 WeakPolarHBondContact CA-O 3.47Å; I635-F721 HydrophobicContact CG1-CD1 4.27Å; I635-F721 HydrophobicContact CG2-CD1 3.94Å; I635-F721 HydrophobicContact CG2-CE1 4Å
636	G	97.8	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-135.1	175.4	0	0	0	0	0	111.1	W655 P719 T720	G636-W655 WeakPolarHBondContact CA-O 3.34Å; G636-P719 WeakPolarHBondContact O-CA 3.33Å; G636-T720 PolarHBondContact N-O 3.48Å; G636-T720 PolarHBondContact O-N 2.67Å
637	V	98	Very high	91.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.4	-179.5	-56	0	0	0	0	111.6	W623 S654 W655 L688 L695 V717 V718	W623-V637 HydrophobicContact CH2-CG1 3.59Å; W623-V637 HydrophobicContact CZ2-CG1 3.9Å; V637-S654 WeakPolarHBondContact O-CA 3.47Å; V637-W655 HydrophobicContact CG2-CB 4.42Å; V637-W655 HydrophobicContact CG2-CE3 4.18Å; V637-W655 PolarHBondContact N-O 2.69Å; V637-W655 PolarHBondContact O-N 3.05Å; V637-L688 HydrophobicContact CG1-CD2 4.42Å; V637-L695 HydrophobicContact CG1-CD1 3.95Å; V637-L695 HydrophobicContact CG2-CD1 4.35Å; V637-L695 HydrophobicContact CG2-CD2 3.66Å; V637-V717 HydrophobicContact CB-CB 4.17Å; V637-V717 HydrophobicContact CB-CG2 4.35Å; V637-V717 HydrophobicContact CG2-CB 4.45Å; V637-V717 HydrophobicContact CG2-CG1 4.49Å; V637-V718 WeakPolarHBondContact CA-O 3.43Å
638	A	96.4	Very high	91.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	155.9	175.4	0	0	0	0	0	111.5	A642 S653 V717 V718 T720	A638-A642 HydrophobicContact CB-CB 3.86Å; A638-S653 CarbonylContact C-O 3.26Å; A638-S653 VanDerWaalsContact CA-O 3.27Å; A638-S653 WeakPolarHBondContact CA-O 3.27Å; A638-V717 WeakPolarHBondContact O-CA 3.43Å; A638-V718 PolarHBondContact N-O 3.43Å; A638-V718 WeakPolarHBondContact O-CG1 3.29Å; A638-V718 PolarHBondContact O-N 3.4Å; A638-T720 HydrophobicContact CB-CG2 3.93Å
639	Y	96	Very high	92.3	Very high	17 Å²	17	34.9 Å²	34.9	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	158.5	166.2	-63.5	-44.5	0	0	0	111.3	S641 A642 S653 W655 F713 L714 L715 V717	Y639-S641 PolarHBondContact O-N 3.15Å; Y639-A642 WeakPolarHBondContact O-CB 3.31Å; Y639-A642 PolarHBondContact O-N 3.36Å; Y639-S653 PolarHBondContact N-O 2.76Å; Y639-W655 HydrophobicContact CD2-CH2 4.2Å; Y639-W655 HydrophobicContact CD2-CZ3 4.21Å; Y639-W655 HydrophobicContact CE1-CH2 4.48Å; Y639-W655 HydrophobicContact CE1-CZ3 4.34Å; Y639-W655 AromaticContact CE2-CH2 3.48Å; Y639-W655 HydrophobicContact CE2-CH2 3.48Å; Y639-W655 VanDerWaalsContact CE2-CH2 3.48Å; Y639-W655 AromaticContact CE2-CZ3 3.86Å; Y639-W655 HydrophobicContact CE2-CZ3 3.86Å; Y639-W655 AromaticContact CZ-CH2 3.64Å; Y639-W655 AromaticContact CZ-CZ3 3.92Å; Y639-F713 WeakPolarHBondContact OH-CA 3.16Å; Y639-L714 PolarHBondContact OH-N 2.99Å; Y639-L715 HydrophobicContact CD1-CB 3.89Å; Y639-L715 HydrophobicContact CE1-CB 4Å; Y639-L715 WeakPolarHBondContact CE1-O 3.39Å; Y639-V717 HydrophobicContact CD1-CG1 3.67Å; Y639-V717 HydrophobicContact CE1-CG1 3.54Å
640	K	91.1	Very high	92.7	Very high	144 Å²	144	37.7 Å²	37.7	63%	0.626	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-36.7	173.1	-169.6	174.7	179.5	176.6	0	112.4	F615 A642	F615-K640 HydrophobicContact CE1-CB 3.74Å; F615-K640 HydrophobicContact CE1-CD 4.19Å; F615-K640 HydrophobicContact CE1-CG 4.05Å; F615-K640 HydrophobicContact CZ-CB 4.22Å; F615-K640 HydrophobicContact CZ-CD 3.87Å; F615-K640 HydrophobicContact CZ-CG 3.99Å; K640-A642 PolarHBondContact O-N 3.14Å
641	S	90.2	Very high	92.8	Very high	81 Å²	81	38.5 Å²	38.5	57%	0.566	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.3	179.5	55.3	0	0	0	0	114.2	Y639	Y639-S641 PolarHBondContact O-N 3.15Å
642	A	91.3	Very high	92.9	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	20%	0.204	C	C	.	.	S	Bend	trans	-59.8	127.8	-178.4	0	0	0	0	0	111.3	A638 Y639 K640 K644	A638-A642 HydrophobicContact CB-CB 3.86Å; Y639-A642 WeakPolarHBondContact O-CB 3.31Å; Y639-A642 PolarHBondContact O-N 3.36Å; K640-A642 PolarHBondContact O-N 3.14Å; A642-K644 WeakPolarHBondContact O-CD 3.19Å; A642-K644 WeakPolarHBondContact O-CE 3.49Å; A642-K644 PolarHBondContact O-N 3.42Å; A642-K644 PolarHBondContact O-NZ 3Å
643	P	89.7	Confident	92.9	Very high	51 Å²	51	36.4 Å²	36.4	33%	0.331	19%	0.194	S	C	.	.			trans	-50.9	135.9	178.6	-29.2	34.3	0	0	0	113.2	E646 N651	P643-E646 HydrophobicContact CB-CG 3.94Å; P643-E646 WeakPolarHBondContact CB-OE1 3.05Å; P643-E646 WeakPolarHBondContact CG-OE1 3.27Å; P643-N651 HydrophobicContact CG-CB 4.45Å
644	K	89	Confident	93	Very high	34 Å²	34	36.5 Å²	36.5	15%	0.148	19%	0.194	C	C	.	.	S	Bend	trans	-101.8	-0.7	-176.3	-57.2	-57	-179	-158.3	0	113.5	F602 S603 A642	F602-K644 VanDerWaalsContact CA-O 3.31Å; F602-K644 WeakPolarHBondContact CA-O 3.29Å; F602-K644 HydrophobicContact CD1-CB 4.14Å; F602-K644 HydrophobicContact CD1-CD 3.94Å; F602-K644 HydrophobicContact CD2-CD 4.22Å; F602-K644 HydrophobicContact CE1-CD 3.58Å; F602-K644 HydrophobicContact CE2-CD 3.87Å; F602-K644 HydrophobicContact CG-CB 4.42Å; F602-K644 HydrophobicContact CG-CD 4.26Å; F602-K644 HydrophobicContact CZ-CD 3.55Å; S603-K644 PolarHBondContact N-O 2.89Å; A642-K644 WeakPolarHBondContact O-CD 3.19Å; A642-K644 WeakPolarHBondContact O-CE 3.49Å; A642-K644 PolarHBondContact O-N 3.42Å; A642-K644 PolarHBondContact O-NZ 3Å
645	N	87.3	Confident	93.1	Very high	104 Å²	104	37.2 Å²	37.2	56%	0.556	20%	0.197	S	C	*	.	S	Bend	trans	-101.4	-3.5	-178.2	62	-25.9	0	0	0	113.8	G604	G604-N645 WeakPolarHBondContact CA-O 3.41Å
646	E	89	Confident	93.1	Very high	59 Å²	59	37.2 Å²	37.2	28%	0.276	20%	0.197	S	C	.	.	S	Bend	trans	-127.2	-179.3	179.7	65.7	-176.6	-176	0	0	112	S607 P643 N651	S607-E646 WeakPolarHBondContact CB-O 3.38Å; S607-E646 PolarHBondContact OG-O 2.98Å; P643-E646 HydrophobicContact CB-CG 3.94Å; P643-E646 WeakPolarHBondContact CB-OE1 3.05Å; P643-E646 WeakPolarHBondContact CG-OE1 3.27Å; E646-N651 WeakPolarHBondContact OE1-CB 3.41Å; E646-N651 PolarHBondContact OE1-ND2 2.86Å
647	W	89	Confident	93.1	Very high	28 Å²	28	37.2 Å²	37.2	11%	0.106	20%	0.197	C	C	.	.			trans	-85.1	136.7	-179.8	-166.4	-90.8	0	0	0	110.5	G606 S607 A634 K650 M722 W724	G606-W647 VanDerWaalsContact O-CZ3 3.23Å; G606-W647 WeakPolarHBondContact O-CZ3 3.48Å; S607-W647 PolarHBondContact OG-N 3.28Å; A634-W647 HydrophobicContact CB-CZ2 3.99Å; W647-K650 HydrophobicContact CB-CD 4.21Å; W647-K650 HydrophobicContact CB-CG 4.41Å; W647-K650 WeakPolarHBondContact O-CB 3.48Å; W647-K650 WeakPolarHBondContact O-CG 3.39Å; W647-K650 PolarHBondContact O-N 2.93Å; W647-M722 HydrophobicContact CD2-SD 4.02Å; W647-M722 HydrophobicContact CE3-SD 4.17Å; W647-M722 HydrophobicContact CG-SD 4.24Å; W647-M722 HydrophobicContact CH2-CB 4.14Å; W647-M722 HydrophobicContact CZ2-CB 4.23Å; W647-M722 HydrophobicContact CZ3-CB 4.39Å; W647-W724 HydrophobicContact CH2-CB 4.48Å; W647-W724 HydrophobicContact CZ3-CE3 4.23Å
648	S	92.1	Very high	93	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.049	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	139.9	179.7	-63.8	0	0	0	0	111.4	V656 M722	S648-V656 WeakPolarHBondContact O-CG2 3.32Å; S648-M722 PolarHBondContact N-SD 3.03Å; S648-M722 PolarHBondContact OG-SD 3.13Å; S648-M722 VanDerWaalsContact OG-SD 3.32Å
649	G	92.3	Very high	92.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-8.1	-173.9	0	0	0	0	0	114.8	N651 S654 H668 D669 G670	G649-N651 VanDerWaalsContact C-N 3.29Å; G649-S654 PolarHBondContact N-OG 3.26Å; G649-H668 CarbonylContact O-C 3.56Å; G649-H668 VanDerWaalsContact O-C 3.26Å; G649-H668 WeakPolarHBondContact O-CA 3.5Å; G649-H668 PolarHBondContact O-N 2.96Å; G649-D669 PolarHBondContact O-N 2.89Å; G649-G670 PolarHBondContact O-N 3.27Å
650	K	91.9	Very high	92.8	Very high	121 Å²	121	38.2 Å²	38.2	53%	0.526	20%	0.203	S	C	.	.	S	Bend	trans	-78.1	-11.7	173.4	-71.7	-167.1	172.3	-170.3	0	114.6	W647 G670	W647-K650 HydrophobicContact CB-CD 4.21Å; W647-K650 HydrophobicContact CB-CG 4.41Å; W647-K650 WeakPolarHBondContact O-CB 3.48Å; W647-K650 WeakPolarHBondContact O-CG 3.39Å; W647-K650 PolarHBondContact O-N 2.93Å; K650-G670 PolarHBondContact O-N 2.81Å
651	N	92.1	Very high	92.8	Very high	18 Å²	18	35.4 Å²	35.4	10%	0.096	20%	0.195	C	C	.	.	S	Bend	trans	-121.7	166.2	178.6	54.3	71.6	0	0	0	111	P643 E646 G649 S653 S654 D669	P643-N651 HydrophobicContact CG-CB 4.45Å; E646-N651 WeakPolarHBondContact OE1-CB 3.41Å; E646-N651 PolarHBondContact OE1-ND2 2.86Å; G649-N651 VanDerWaalsContact C-N 3.29Å; N651-S653 PolarHBondContact O-N 3.12Å; N651-S653 WeakPolarHBondContact OD1-CA 3Å; N651-S653 WeakPolarHBondContact OD1-CB 3.28Å; N651-S653 PolarHBondContact OD1-N 3.36Å; N651-S654 PolarHBondContact OD1-N 3.39Å; N651-S654 VanDerWaalsContact OD1-N 3.17Å; N651-S654 PolarHBondContact OD1-OG 3.43Å; N651-D669 WeakPolarHBondContact O-CA 3.5Å; N651-D669 PolarHBondContact O-N 3.32Å
652	S	93.9	Very high	92.9	Very high	69 Å²	69	36 Å²	36	48%	0.483	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-2.7	175.7	55.4	0	0	0	0	114.5	H668 D669	S652-H668 PolarHBondContact O-CE1 3.31Å; S652-D669 WeakPolarHBondContact CB-OD1 3.4Å
653	S	95	Very high	93.1	Very high	23 Å²	23	40.2 Å²	40.2	16%	0.161	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	9.7	-176.8	-61.3	0	0	0	0	113.5	A638 Y639 N651	A638-S653 CarbonylContact C-O 3.26Å; A638-S653 VanDerWaalsContact CA-O 3.27Å; A638-S653 WeakPolarHBondContact CA-O 3.27Å; Y639-S653 PolarHBondContact N-O 2.76Å; N651-S653 PolarHBondContact O-N 3.12Å; N651-S653 WeakPolarHBondContact OD1-CA 3Å; N651-S653 WeakPolarHBondContact OD1-CB 3.28Å; N651-S653 PolarHBondContact OD1-N 3.36Å
654	S	96.1	Very high	93.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.4	179.6	51.2	0	0	0	0	112.5	V637 G649 N651 H668	V637-S654 WeakPolarHBondContact O-CA 3.47Å; G649-S654 PolarHBondContact N-OG 3.26Å; N651-S654 PolarHBondContact OD1-N 3.39Å; N651-S654 VanDerWaalsContact OD1-N 3.17Å; N651-S654 PolarHBondContact OD1-OG 3.43Å; S654-H668 PolarHBondContact O-ND1 3.04Å
655	W	98	Very high	93.8	Very high	16 Å²	16	36.9 Å²	36.9	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.3	178.8	-62.4	-98.5	0	0	0	108.3	G636 V637 Y639 H668 L695 F709 I711	G636-W655 WeakPolarHBondContact CA-O 3.34Å; V637-W655 HydrophobicContact CG2-CB 4.42Å; V637-W655 HydrophobicContact CG2-CE3 4.18Å; V637-W655 PolarHBondContact N-O 2.69Å; V637-W655 PolarHBondContact O-N 3.05Å; Y639-W655 HydrophobicContact CD2-CH2 4.2Å; Y639-W655 HydrophobicContact CD2-CZ3 4.21Å; Y639-W655 HydrophobicContact CE1-CH2 4.48Å; Y639-W655 HydrophobicContact CE1-CZ3 4.34Å; Y639-W655 AromaticContact CE2-CH2 3.48Å; Y639-W655 HydrophobicContact CE2-CH2 3.48Å; Y639-W655 VanDerWaalsContact CE2-CH2 3.48Å; Y639-W655 AromaticContact CE2-CZ3 3.86Å; Y639-W655 HydrophobicContact CE2-CZ3 3.86Å; Y639-W655 AromaticContact CZ-CH2 3.64Å; Y639-W655 AromaticContact CZ-CZ3 3.92Å; W655-H668 AromaticContact CD1-CE1 3.9Å; W655-H668 AromaticContact CD1-CG 3.48Å; W655-H668 VanDerWaalsContact CD1-CG 3.48Å; W655-H668 AromaticContact CD1-ND1 3.38Å; W655-H668 AromaticContact CD2-ND1 3.84Å; W655-H668 AromaticContact CE2-CE1 3.26Å; W655-H668 AromaticContact CE2-ND1 3.38Å; W655-H668 AromaticContact CE2-NE2 3.99Å; W655-H668 HydrophobicContact CG-CB 4.48Å; W655-H668 AromaticContact CG-ND1 3.83Å; W655-H668 AromaticContact CZ2-CE1 3.41Å; W655-H668 VanDerWaalsContact CZ2-CE1 3.41Å; W655-H668 WeakPolarHBondContact CZ2-CE1 3.29Å; W655-H668 AromaticContact CZ2-ND1 3.97Å; W655-H668 AromaticContact NE1-CD2 3.66Å; W655-H668 AromaticContact NE1-CE1 3.11Å; W655-H668 PolarHBondContact NE1-CE1 3.4Å; W655-H668 AromaticContact NE1-CG 3.41Å; W655-H668 AromaticContact NE1-ND1 3.09Å; W655-H668 PolarHBondContact NE1-ND1 3.21Å; W655-H668 AromaticContact NE1-NE2 3.47Å; W655-H668 PolarHBondContact NE1-NE2 3.36Å; W655-L695 HydrophobicContact CB-CD2 3.69Å; W655-F709 HydrophobicContact CB-CD2 4.15Å; W655-F709 HydrophobicContact CB-CE2 4.15Å; W655-F709 AromaticContact CD1-CD1 3.99Å; W655-I711 HydrophobicContact CB-CD1 4.05Å; W655-I711 HydrophobicContact CD2-CD1 3.72Å; W655-I711 HydrophobicContact CD2-CG1 4.39Å; W655-I711 HydrophobicContact CD2-CG2 4.34Å; W655-I711 HydrophobicContact CE3-CD1 4.4Å; W655-I711 HydrophobicContact CG-CD1 3.52Å; W655-I711 HydrophobicContact CG-CG1 4.29Å; W655-I711 HydrophobicContact CH2-CG2 4.01Å; W655-I711 HydrophobicContact CZ2-CG2 3.56Å
656	V	98.1	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142	-171.6	-63.6	0	0	0	0	112.9	A634 I635 S648 V666 R667 T720	A634-V656 HydrophobicContact CB-CB 4.27Å; A634-V656 HydrophobicContact CB-CG2 4.06Å; I635-V656 CarbonylContact O-C 3.59Å; I635-V656 WeakPolarHBondContact O-CA 3.36Å; S648-V656 WeakPolarHBondContact O-CG2 3.32Å; V656-V666 CarbonylContact O-C 3.46Å; V656-V666 WeakPolarHBondContact O-CA 3.38Å; V656-R667 HydrophobicContact CG2-CB 3.96Å; V656-R667 PolarHBondContact N-O 3.45Å; V656-R667 VanDerWaalsContact N-O 3.08Å; V656-R667 PolarHBondContact O-N 3.49Å; V656-T720 HydrophobicContact CG1-CG2 3.8Å
657	F	98.1	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.4	158.8	175.4	-95.9	0	0	0	109.3	Y633 A634 I635 F664 V666 V675 A677 L681 L684 F697 I706	Y633-F657 HydrophobicContact CE2-CD1 4Å; Y633-F657 AromaticContact CE2-CE1 3.85Å; Y633-F657 HydrophobicContact CE2-CE1 3.85Å; A634-F657 CarbonylContact C-O 3.57Å; A634-F657 WeakPolarHBondContact CA-O 3.5Å; I635-F657 PolarHBondContact N-O 3.4Å; I635-F657 PolarHBondContact O-N 3.12Å; F657-F664 HydrophobicContact CE1-CD1 4.08Å; F657-F664 HydrophobicContact CE2-CB 4.14Å; F657-F664 HydrophobicContact CE2-CD1 4.41Å; F657-F664 HydrophobicContact CZ-CB 4.05Å; F657-F664 AromaticContact CZ-CD1 3.5Å; F657-F664 HydrophobicContact CZ-CD1 3.5Å; F657-F664 HydrophobicContact CZ-CE1 4.33Å; F657-F664 HydrophobicContact CZ-CG 4.16Å; F657-V666 HydrophobicContact CB-CG1 4.49Å; F657-V666 HydrophobicContact CD2-CG1 4.01Å; F657-V675 HydrophobicContact CD2-CG2 4.14Å; F657-V675 HydrophobicContact CE2-CG2 3.64Å; F657-A677 HydrophobicContact CZ-CB 4.4Å; F657-L681 HydrophobicContact CE1-CD2 3.93Å; F657-L681 HydrophobicContact CZ-CD2 3.94Å; F657-L684 HydrophobicContact CB-CD2 4.28Å; F657-L684 HydrophobicContact CD1-CD1 3.72Å; F657-L684 HydrophobicContact CD1-CD2 3.53Å; F657-L684 HydrophobicContact CD1-CG 4.28Å; F657-L684 HydrophobicContact CE1-CD1 3.82Å; F657-L684 HydrophobicContact CE1-CD2 4.2Å; F657-L684 HydrophobicContact CG-CD1 4.18Å; F657-L684 HydrophobicContact CG-CD2 4.22Å; F657-L684 HydrophobicContact CZ-CD1 4.38Å; F657-F697 HydrophobicContact CB-CD1 3.54Å; F657-F697 HydrophobicContact CB-CD2 4.18Å; F657-F697 HydrophobicContact CB-CE1 3.61Å; F657-F697 HydrophobicContact CB-CE2 4.25Å; F657-F697 HydrophobicContact CB-CG 3.83Å; F657-F697 HydrophobicContact CB-CZ 3.98Å; F657-F697 HydrophobicContact CG-CD1 4.41Å; F657-I706 HydrophobicContact CD2-CG2 4.26Å; F657-I706 HydrophobicContact CE2-CD1 4.41Å; F657-I706 HydrophobicContact CE2-CG2 3.78Å; F657-I706 HydrophobicContact CZ-CD1 4.41Å
658	S	96.1	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.8	-176	-58.7	0	0	0	0	112.6	Y633 A634 F664 M665 R667	Y633-S658 CarbonylContact O-C 3.58Å; Y633-S658 WeakPolarHBondContact O-CA 3.5Å; Y633-S658 WeakPolarHBondContact O-CB 3.47Å; A634-S658 WeakPolarHBondContact CB-OG 3.39Å; S658-F664 WeakPolarHBondContact O-CA 3.38Å; S658-M665 PolarHBondContact N-O 3.07Å; S658-M665 PolarHBondContact O-N 3.04Å; S658-M665 VanDerWaalsContact O-O 3.13Å; S658-R667 PolarHBondContact OG-NH1 2.77Å
659	R	94.9	Very high	95.2	Very high	22 Å²	22	34.4 Å²	34.4	8%	0.083	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.7	166.4	-173.1	-177.4	180	154.7	7.8	109.3	T631 W632 Y633 N661 N663 F664 L679	T631-R659 WeakPolarHBondContact O-CG 3.16Å; W632-R659 VanDerWaalsContact CA-O 3.29Å; W632-R659 WeakPolarHBondContact CA-O 3.14Å; Y633-R659 HydrophobicContact CD1-CB 4Å; Y633-R659 HydrophobicContact CD2-CB 4.22Å; Y633-R659 HydrophobicContact CE1-CB 3.49Å; Y633-R659 VanDerWaalsContact CE1-CB 3.49Å; Y633-R659 HydrophobicContact CE1-CG 4.14Å; Y633-R659 HydrophobicContact CE2-CB 3.73Å; Y633-R659 HydrophobicContact CG-CB 4.34Å; Y633-R659 PolarHBondContact N-O 2.93Å; Y633-R659 VanDerWaalsContact N-O 3.16Å; Y633-R659 PolarHBondContact O-N 2.86Å; R659-N661 WeakPolarHBondContact CG-O 3.45Å; R659-N661 PolarHBondContact NE-O 3.48Å; R659-N663 WeakPolarHBondContact CA-O 3.19Å; R659-F664 HydrophobicContact CB-CD1 3.97Å; R659-F664 HydrophobicContact CB-CE1 4.06Å; R659-F664 HydrophobicContact CG-CD1 3.87Å; R659-F664 HydrophobicContact CG-CE1 3.65Å; R659-F664 HydrophobicContact CG-CZ 4.27Å; R659-L679 PolarHBondContact NH2-O 3.36Å
660	C	93.1	Very high	95.2	Very high	18 Å²	18	36.8 Å²	36.8	12%	0.122	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	96.7	170.8	-65.1	0	0	0	0	107.8	W632 N662 N663 M665 R667	W632-C660 HydrophobicContact CH2-CB 4.33Å; W632-C660 HydrophobicContact CZ2-CB 4.39Å; W632-C660 HydrophobicContact CZ3-CB 4.4Å; C660-N662 PolarHBondContact O-N 3.48Å; C660-N662 VanDerWaalsContact O-N 3.11Å; C660-N663 PolarHBondContact N-O 3.47Å; C660-N663 PolarHBondContact O-N 2.97Å; C660-M665 HydrophobicContact CB-CE 3.92Å; C660-M665 HydrophobicContact CB-SD 4.29Å; C660-R667 PolarHBondContact SG-NH1 3.12Å; C660-R667 PolarHBondContact SG-NH2 3.14Å
661	N	91.8	Very high	95.3	Very high	85 Å²	85	38 Å²	38	46%	0.455	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-107.2	-172.4	-164.6	35.6	0	0	0	112.2	T631 R659	T631-N661 WeakPolarHBondContact O-CA 3.35Å; T631-N661 PolarHBondContact O-N 3Å; R659-N661 WeakPolarHBondContact CG-O 3.45Å; R659-N661 PolarHBondContact NE-O 3.48Å
662	N	92.4	Very high	95.5	Very high	92 Å²	92	42.6 Å²	42.6	49%	0.492	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-5.3	178.8	-70	-12.1	0	0	0	113.2	C660 L679	C660-N662 PolarHBondContact O-N 3.48Å; C660-N662 VanDerWaalsContact O-N 3.11Å; N662-L679 HydrophobicContact CB-CD2 3.85Å
663	N	94.5	Very high	95.6	Very high	96 Å²	96	43.7 Å²	43.7	51%	0.513	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.2	179.1	-63.1	-22.6	0	0	0	109.4	R659 C660 M665 L674	R659-N663 WeakPolarHBondContact CA-O 3.19Å; C660-N663 PolarHBondContact N-O 3.47Å; C660-N663 PolarHBondContact O-N 2.97Å; N663-M665 HydrophobicContact CB-CE 3.63Å; N663-M665 WeakPolarHBondContact O-CE 3.4Å; N663-L674 HydrophobicContact CB-CD2 4.23Å
664	F	96.8	Very high	95.7	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.9	169.6	-59.7	-86.7	0	0	0	108.7	F657 S658 R659 L674 V675 A677 S678 L679 L681	F657-F664 HydrophobicContact CE1-CD1 4.08Å; F657-F664 HydrophobicContact CE2-CB 4.14Å; F657-F664 HydrophobicContact CE2-CD1 4.41Å; F657-F664 HydrophobicContact CZ-CB 4.05Å; F657-F664 AromaticContact CZ-CD1 3.5Å; F657-F664 HydrophobicContact CZ-CD1 3.5Å; F657-F664 HydrophobicContact CZ-CE1 4.33Å; F657-F664 HydrophobicContact CZ-CG 4.16Å; S658-F664 WeakPolarHBondContact O-CA 3.38Å; R659-F664 HydrophobicContact CB-CD1 3.97Å; R659-F664 HydrophobicContact CB-CE1 4.06Å; R659-F664 HydrophobicContact CG-CD1 3.87Å; R659-F664 HydrophobicContact CG-CE1 3.65Å; R659-F664 HydrophobicContact CG-CZ 4.27Å; F664-L674 WeakPolarHBondContact O-CA 3.17Å; F664-V675 HydrophobicContact CB-CG2 3.98Å; F664-V675 PolarHBondContact O-N 3.44Å; F664-A677 HydrophobicContact CB-CB 4.12Å; F664-A677 HydrophobicContact CD1-CB 4.11Å; F664-A677 HydrophobicContact CD2-CB 3.86Å; F664-A677 HydrophobicContact CE1-CB 4.43Å; F664-A677 HydrophobicContact CE2-CB 4.21Å; F664-A677 WeakPolarHBondContact CE2-O 3.36Å; F664-A677 HydrophobicContact CG-CB 3.78Å; F664-A677 HydrophobicContact CZ-CB 4.48Å; F664-S678 VanDerWaalsContact CZ-O 3.29Å; F664-S678 WeakPolarHBondContact CZ-O 3.28Å; F664-L679 HydrophobicContact CE2-CD2 4.02Å; F664-L681 HydrophobicContact CE1-CB 4.49Å; F664-L681 HydrophobicContact CE1-CD2 4.1Å; F664-L681 HydrophobicContact CZ-CB 4.5Å
665	M	97.1	Very high	95.6	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.034	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.8	-177.8	63.5	-120.6	67.3	0	0	110.4	S658 C660 N663 R667 M673 L674	S658-M665 PolarHBondContact N-O 3.07Å; S658-M665 PolarHBondContact O-N 3.04Å; S658-M665 VanDerWaalsContact O-O 3.13Å; C660-M665 HydrophobicContact CB-CE 3.92Å; C660-M665 HydrophobicContact CB-SD 4.29Å; N663-M665 HydrophobicContact CB-CE 3.63Å; N663-M665 WeakPolarHBondContact O-CE 3.4Å; M665-R667 HydrophobicContact CG-CG 4.12Å; M665-R667 VanDerWaalsContact SD-CZ 3.52Å; M665-R667 PolarHBondContact SD-NH2 2.9Å; M665-M673 CarbonylContact C-O 3.59Å; M665-M673 WeakPolarHBondContact CA-O 3.47Å; M665-M673 VanDerWaalsContact CB-O 3.24Å; M665-M673 WeakPolarHBondContact CB-O 3.48Å; M665-L674 HydrophobicContact CB-CD2 4.36Å
666	V	97.7	Very high	95.3	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.5	166.4	-64.3	0	0	0	0	108.9	V656 F657 M673 V675 H707 F709	V656-V666 CarbonylContact O-C 3.46Å; V656-V666 WeakPolarHBondContact O-CA 3.38Å; F657-V666 HydrophobicContact CB-CG1 4.49Å; F657-V666 HydrophobicContact CD2-CG1 4.01Å; V666-M673 HydrophobicContact CG2-CB 3.9Å; V666-M673 HydrophobicContact CG2-CE 3.58Å; V666-M673 PolarHBondContact N-O 3.29Å; V666-M673 PolarHBondContact O-N 2.98Å; V666-V675 HydrophobicContact CG1-CG1 4.02Å; V666-V675 HydrophobicContact CG1-CG2 4.4Å; V666-V675 HydrophobicContact CG2-CG1 4.05Å; V666-H707 HydrophobicContact CG1-CB 3.89Å; V666-F709 HydrophobicContact CB-CE1 4.49Å; V666-F709 HydrophobicContact CB-CE2 3.97Å; V666-F709 HydrophobicContact CB-CZ 3.61Å; V666-F709 HydrophobicContact CG1-CE2 4.41Å; V666-F709 HydrophobicContact CG1-CZ 4.5Å; V666-F709 HydrophobicContact CG2-CE1 4.43Å; V666-F709 HydrophobicContact CG2-CZ 4.01Å
667	R	97.1	Very high	95	Very high	18 Å²	18	58.9 Å²	58.9	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.3	-174	-60.7	-174.8	166.1	110.1	0.6	112	V656 S658 C660 M665 K671 E672	V656-R667 HydrophobicContact CG2-CB 3.96Å; V656-R667 PolarHBondContact N-O 3.45Å; V656-R667 VanDerWaalsContact N-O 3.08Å; V656-R667 PolarHBondContact O-N 3.49Å; S658-R667 PolarHBondContact OG-NH1 2.77Å; C660-R667 PolarHBondContact SG-NH1 3.12Å; C660-R667 PolarHBondContact SG-NH2 3.14Å; M665-R667 HydrophobicContact CG-CG 4.12Å; M665-R667 VanDerWaalsContact SD-CZ 3.52Å; M665-R667 PolarHBondContact SD-NH2 2.9Å; R667-K671 WeakPolarHBondContact CA-O 3.34Å; R667-E672 HydrophobicContact CG-CB 4.46Å; R667-E672 HydrophobicContact CG-CG 4.08Å; R667-E672 IonicContact CZ-OE1 3.97Å; R667-E672 VanDerWaalsContact NE-CD 3.34Å; R667-E672 IonicContact NE-OE1 3.28Å; R667-E672 PolarHBondContact NE-OE1 3.44Å; R667-E672 IonicContact NH2-OE1 3.43Å; R667-E672 PolarHBondContact NH2-OE1 3.42Å; R667-E672 VanDerWaalsContact NH2-OE1 3.12Å; R667-E672 IonicContact NH2-OE2 3.08Å
668	H	96.4	Very high	94.5	Very high	49 Å²	49	61 Å²	61	23%	0.227	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	140.5	173.1	171.4	63.3	0	0	0	109.7	G649 S652 S654 W655 G670 K671 F709	G649-H668 CarbonylContact O-C 3.56Å; G649-H668 VanDerWaalsContact O-C 3.26Å; G649-H668 WeakPolarHBondContact O-CA 3.5Å; G649-H668 PolarHBondContact O-N 2.96Å; S652-H668 PolarHBondContact O-CE1 3.31Å; S654-H668 PolarHBondContact O-ND1 3.04Å; W655-H668 AromaticContact CD1-CE1 3.9Å; W655-H668 AromaticContact CD1-CG 3.48Å; W655-H668 VanDerWaalsContact CD1-CG 3.48Å; W655-H668 AromaticContact CD1-ND1 3.38Å; W655-H668 AromaticContact CD2-ND1 3.84Å; W655-H668 AromaticContact CE2-CE1 3.26Å; W655-H668 AromaticContact CE2-ND1 3.38Å; W655-H668 AromaticContact CE2-NE2 3.99Å; W655-H668 HydrophobicContact CG-CB 4.48Å; W655-H668 AromaticContact CG-ND1 3.83Å; W655-H668 AromaticContact CZ2-CE1 3.41Å; W655-H668 VanDerWaalsContact CZ2-CE1 3.41Å; W655-H668 WeakPolarHBondContact CZ2-CE1 3.29Å; W655-H668 AromaticContact CZ2-ND1 3.97Å; W655-H668 AromaticContact NE1-CD2 3.66Å; W655-H668 AromaticContact NE1-CE1 3.11Å; W655-H668 PolarHBondContact NE1-CE1 3.4Å; W655-H668 AromaticContact NE1-CG 3.41Å; W655-H668 AromaticContact NE1-ND1 3.09Å; W655-H668 PolarHBondContact NE1-ND1 3.21Å; W655-H668 AromaticContact NE1-NE2 3.47Å; W655-H668 PolarHBondContact NE1-NE2 3.36Å; H668-G670 PolarHBondContact O-N 2.94Å; H668-G670 VanDerWaalsContact O-N 3.15Å; H668-K671 PolarHBondContact N-O 3.16Å; H668-K671 VanDerWaalsContact N-O 3.16Å; H668-K671 WeakPolarHBondContact O-CB 3.34Å; H668-K671 PolarHBondContact O-N 3.31Å; H668-F709 HydrophobicContact CB-CE1 4.05Å; H668-F709 HydrophobicContact CB-CZ 4.32Å
669	D	95.3	Very high	94.1	Very high	76 Å²	76	65.5 Å²	65.5	41%	0.406	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	35.6	174.5	-165.5	40.2	0	0	0	113.8	G649 N651 S652 K671	G649-D669 PolarHBondContact O-N 2.89Å; N651-D669 WeakPolarHBondContact O-CA 3.5Å; N651-D669 PolarHBondContact O-N 3.32Å; S652-D669 WeakPolarHBondContact CB-OD1 3.4Å; D669-K671 PolarHBondContact O-N 3.21Å; D669-K671 VanDerWaalsContact O-N 3.12Å
670	G	92.8	Very high	93.7	Very high	50 Å²	50	71.7 Å²	71.7	52%	0.515	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-1.1	-178	0	0	0	0	0	114.6	G649 K650 H668	G649-G670 PolarHBondContact O-N 3.27Å; K650-G670 PolarHBondContact O-N 2.81Å; H668-G670 PolarHBondContact O-N 2.94Å; H668-G670 VanDerWaalsContact O-N 3.15Å
671	K	94.5	Very high	93.7	Very high	147 Å²	147	71.1 Å²	71.1	64%	0.639	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.5	175	-59.2	175	-173.5	165.9	0	109.7	R667 H668 D669	R667-K671 WeakPolarHBondContact CA-O 3.34Å; H668-K671 PolarHBondContact N-O 3.16Å; H668-K671 VanDerWaalsContact N-O 3.16Å; H668-K671 WeakPolarHBondContact O-CB 3.34Å; H668-K671 PolarHBondContact O-N 3.31Å; D669-K671 PolarHBondContact O-N 3.21Å; D669-K671 VanDerWaalsContact O-N 3.12Å
672	E	95.6	Very high	93.7	Very high	114 Å²	114	75.8 Å²	75.8	53%	0.533	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.1	175.9	-49	-166.3	151.4	0	0	109	R667	R667-E672 HydrophobicContact CG-CB 4.46Å; R667-E672 HydrophobicContact CG-CG 4.08Å; R667-E672 IonicContact CZ-OE1 3.97Å; R667-E672 VanDerWaalsContact NE-CD 3.34Å; R667-E672 IonicContact NE-OE1 3.28Å; R667-E672 PolarHBondContact NE-OE1 3.44Å; R667-E672 IonicContact NH2-OE1 3.43Å; R667-E672 PolarHBondContact NH2-OE1 3.42Å; R667-E672 VanDerWaalsContact NH2-OE1 3.12Å; R667-E672 IonicContact NH2-OE2 3.08Å
673	M	95.9	Very high	93.9	Very high	92 Å²	92	75 Å²	75	45%	0.453	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.1	174.5	-174.9	178.2	70.7	0	0	109.2	M665 V666 V675 H707	M665-M673 CarbonylContact C-O 3.59Å; M665-M673 WeakPolarHBondContact CA-O 3.47Å; M665-M673 VanDerWaalsContact CB-O 3.24Å; M665-M673 WeakPolarHBondContact CB-O 3.48Å; V666-M673 HydrophobicContact CG2-CB 3.9Å; V666-M673 HydrophobicContact CG2-CE 3.58Å; V666-M673 PolarHBondContact N-O 3.29Å; V666-M673 PolarHBondContact O-N 2.98Å; M673-V675 HydrophobicContact CE-CG1 4.23Å; M673-H707 WeakPolarHBondContact CE-CE1 3.49Å; M673-H707 WeakPolarHBondContact CE-ND1 3.32Å
674	L	96.5	Very high	94	Very high	129 Å²	129	70.4 Å²	70.4	68%	0.675	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	140.1	175.3	-69.9	171.3	0	0	0	110	N663 F664 M665	N663-L674 HydrophobicContact CB-CD2 4.23Å; F664-L674 WeakPolarHBondContact O-CA 3.17Å; M665-L674 HydrophobicContact CB-CD2 4.36Å
675	V	95.8	Very high	94	Very high	20 Å²	20	70 Å²	70	12%	0.121	35%	0.347	C	S	.	.			trans	-130.2	148.6	176.8	-63	0	0	0	0	109.6	F657 F664 V666 M673 I706 H707	F657-V675 HydrophobicContact CD2-CG2 4.14Å; F657-V675 HydrophobicContact CE2-CG2 3.64Å; F664-V675 HydrophobicContact CB-CG2 3.98Å; F664-V675 PolarHBondContact O-N 3.44Å; V666-V675 HydrophobicContact CG1-CG1 4.02Å; V666-V675 HydrophobicContact CG1-CG2 4.4Å; V666-V675 HydrophobicContact CG2-CG1 4.05Å; M673-V675 HydrophobicContact CE-CG1 4.23Å; V675-I706 HydrophobicContact CB-CG2 4.13Å; V675-I706 HydrophobicContact CG2-CG2 3.81Å; V675-H707 HydrophobicContact CG1-CB 4.25Å
676	E	91.6	Very high	94.1	Very high	186 Å²	186	69.7 Å²	69.7	87%	0.869	35%	0.345	S	S	*	.			trans	-82.5	119.1	177.2	-66.1	-173.7	176.8	0	0	109.6
677	A	90.4	Very high	94.1	Very high	24 Å²	24	70.1 Å²	70.1	20%	0.198	35%	0.347	C	S	.	.			trans	-143.9	151.2	173.2	0	0	0	0	0	110	F657 F664 L679 I706	F657-A677 HydrophobicContact CZ-CB 4.4Å; F664-A677 HydrophobicContact CB-CB 4.12Å; F664-A677 HydrophobicContact CD1-CB 4.11Å; F664-A677 HydrophobicContact CD2-CB 3.86Å; F664-A677 HydrophobicContact CE1-CB 4.43Å; F664-A677 HydrophobicContact CE2-CB 4.21Å; F664-A677 WeakPolarHBondContact CE2-O 3.36Å; F664-A677 HydrophobicContact CG-CB 3.78Å; F664-A677 HydrophobicContact CZ-CB 4.48Å; A677-L679 PolarHBondContact O-N 2.92Å; A677-I706 HydrophobicContact CB-CD1 4.44Å
678	S	89.1	Confident	94	Very high	44 Å²	44	69.2 Å²	69.2	31%	0.308	34%	0.344	S	S	.	.			trans	-60.6	133.4	178.3	177.8	0	0	0	0	111.3	F664 Q680 L681	F664-S678 VanDerWaalsContact CZ-O 3.29Å; F664-S678 WeakPolarHBondContact CZ-O 3.28Å; S678-Q680 PolarHBondContact O-N 3.36Å; S678-Q680 VanDerWaalsContact O-N 3.07Å; S678-Q680 PolarHBondContact OG-N 2.98Å; S678-Q680 VanDerWaalsContact OG-N 3.16Å; S678-L681 WeakPolarHBondContact O-CB 3.5Å; S678-L681 PolarHBondContact O-N 3.11Å
679	L	86.6	Confident	93.9	Very high	96 Å²	96	68 Å²	68	50%	0.503	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.9	171.7	-71	171.8	0	0	0	112.6	R659 N662 F664 A677	R659-L679 PolarHBondContact NH2-O 3.36Å; N662-L679 HydrophobicContact CB-CD2 3.85Å; F664-L679 HydrophobicContact CE2-CD2 4.02Å; A677-L679 PolarHBondContact O-N 2.92Å
680	Q	87.3	Confident	93.8	Very high	152 Å²	152	65.9 Å²	65.9	71%	0.71	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	9.9	175.7	-56.4	-171.6	7	0	0	113.4	S678 R682	S678-Q680 PolarHBondContact O-N 3.36Å; S678-Q680 VanDerWaalsContact O-N 3.07Å; S678-Q680 PolarHBondContact OG-N 2.98Å; S678-Q680 VanDerWaalsContact OG-N 3.16Å; Q680-R682 WeakPolarHBondContact O-CG 3.27Å; Q680-R682 PolarHBondContact O-N 2.85Å
681	L	91.9	Very high	93.5	Very high	5 Å²	5	67.8 Å²	67.8	3%	0.026	32%	0.324	C	S	.	.			trans	-52.2	113.4	176.9	-179.6	69.7	0	0	0	110.6	L627 F657 F664 S678 L684 D699 I706	L627-L681 HydrophobicContact CD1-CD2 3.84Å; L627-L681 HydrophobicContact CD1-CG 3.78Å; F657-L681 HydrophobicContact CE1-CD2 3.93Å; F657-L681 HydrophobicContact CZ-CD2 3.94Å; F664-L681 HydrophobicContact CE1-CB 4.49Å; F664-L681 HydrophobicContact CE1-CD2 4.1Å; F664-L681 HydrophobicContact CZ-CB 4.5Å; S678-L681 WeakPolarHBondContact O-CB 3.5Å; S678-L681 PolarHBondContact O-N 3.11Å; L681-L684 HydrophobicContact CD2-CD1 4.37Å; L681-D699 HydrophobicContact CD1-CB 3.59Å; L681-D699 WeakPolarHBondContact CD1-OD2 3.43Å; L681-I706 HydrophobicContact CD2-CD1 4.42Å
682	R	92.7	Very high	93.3	Very high	184 Å²	184	65.7 Å²	65.7	69%	0.694	32%	0.319	S	S	*	.			trans	-105.9	-23.4	-178.3	-55.9	-160	179.1	-165.4	-0.9	113.5	L627 Q680	L627-R682 PolarHBondContact N-O 3.44Å; Q680-R682 WeakPolarHBondContact O-CG 3.27Å; Q680-R682 PolarHBondContact O-N 2.85Å
683	R	95.8	Very high	93.2	Very high	74 Å²	74	63.3 Å²	63.3	28%	0.279	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	113.9	-171.1	-173.5	-171.7	-75.4	-132.9	11.3	109.1	E624 V625 L626 A700 M701	E624-R683 HydrophobicContact CB-CG 4.21Å; E624-R683 HydrophobicContact CG-CG 4.44Å; E624-R683 WeakPolarHBondContact OE2-CD 3.32Å; E624-R683 IonicContact OE2-CZ 2.65Å; E624-R683 IonicContact OE2-NE 2.68Å; E624-R683 IonicContact OE2-NH1 3Å; E624-R683 PolarHBondContact OE2-NH1 2.88Å; V625-R683 WeakPolarHBondContact O-CA 3.39Å; L626-R683 HydrophobicContact CD2-CB 4.26Å; L626-R683 HydrophobicContact CD2-CG 3.99Å; R683-A700 HydrophobicContact CB-CB 4.48Å; R683-A700 HydrophobicContact CG-CB 3.85Å; R683-A700 PolarHBondContact O-N 3.31Å; R683-M701 HydrophobicContact CB-CG 3.81Å; R683-M701 PolarHBondContact NE-SD 3.06Å; R683-M701 VanDerWaalsContact NE-SD 3.44Å
684	L	97.4	Very high	93.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118	177	-177.6	73.2	0	0	0	108.7	E624 V625 L627 I635 F657 L681 V686 F697 I706	E624-L684 CarbonylContact C-O 3.5Å; E624-L684 VanDerWaalsContact CA-O 3.31Å; E624-L684 WeakPolarHBondContact CA-O 3.14Å; V625-L684 PolarHBondContact N-O 2.95Å; V625-L684 PolarHBondContact O-N 3.03Å; L627-L684 HydrophobicContact CD1-CB 4.07Å; L627-L684 HydrophobicContact CD2-CB 4.34Å; L627-L684 HydrophobicContact CG-CB 4.4Å; I635-L684 HydrophobicContact CB-CD2 3.91Å; I635-L684 HydrophobicContact CD1-CD2 3.93Å; I635-L684 HydrophobicContact CG2-CD2 3.95Å; F657-L684 HydrophobicContact CB-CD2 4.28Å; F657-L684 HydrophobicContact CD1-CD1 3.72Å; F657-L684 HydrophobicContact CD1-CD2 3.53Å; F657-L684 HydrophobicContact CD1-CG 4.28Å; F657-L684 HydrophobicContact CE1-CD1 3.82Å; F657-L684 HydrophobicContact CE1-CD2 4.2Å; F657-L684 HydrophobicContact CG-CD1 4.18Å; F657-L684 HydrophobicContact CG-CD2 4.22Å; F657-L684 HydrophobicContact CZ-CD1 4.38Å; L681-L684 HydrophobicContact CD2-CD1 4.37Å; L684-V686 HydrophobicContact CD2-CG2 4.34Å; L684-V686 HydrophobicContact CG-CG2 4.37Å; L684-F697 HydrophobicContact CD1-CB 4.34Å; L684-F697 HydrophobicContact CD1-CD1 4.43Å; L684-F697 HydrophobicContact CD2-CD1 4.28Å; L684-I706 HydrophobicContact CD1-CD1 3.94Å
685	G	97.3	Very high	93.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137	168	0	0	0	0	0	110.4	Y622 F697 Y698	Y622-G685 WeakPolarHBondContact OH-CA 3.43Å; G685-F697 WeakPolarHBondContact O-CA 3.36Å; G685-Y698 PolarHBondContact N-O 3.36Å; G685-Y698 PolarHBondContact O-N 2.78Å
686	V	97.9	Very high	93.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.6	176.2	-171.3	0	0	0	0	108.1	Y622 W623 I635 L684 L695 F697	Y622-V686 WeakPolarHBondContact CA-O 3.31Å; Y622-V686 VanDerWaalsContact CD2-O 3.27Å; Y622-V686 WeakPolarHBondContact CD2-O 3.33Å; W623-V686 HydrophobicContact CD2-CB 4.03Å; W623-V686 HydrophobicContact CD2-CG1 4.44Å; W623-V686 HydrophobicContact CG-CB 4.43Å; W623-V686 HydrophobicContact CH2-CB 4.38Å; W623-V686 HydrophobicContact CH2-CG1 3.75Å; W623-V686 HydrophobicContact CZ2-CB 3.77Å; W623-V686 HydrophobicContact CZ2-CG1 3.32Å; W623-V686 HydrophobicContact CZ2-CG2 4.44Å; W623-V686 HydrophobicContact CZ3-CG1 4.45Å; W623-V686 PolarHBondContact N-O 3.44Å; W623-V686 PolarHBondContact O-N 2.9Å; I635-V686 HydrophobicContact CG2-CG2 4.1Å; L684-V686 HydrophobicContact CD2-CG2 4.34Å; L684-V686 HydrophobicContact CG-CG2 4.37Å; V686-L695 HydrophobicContact CG1-CD1 3.72Å; V686-F697 HydrophobicContact CG1-CD1 4.28Å; V686-F697 HydrophobicContact CG1-CE1 3.94Å; V686-F697 HydrophobicContact CG2-CD1 4Å; V686-F697 HydrophobicContact CG2-CE1 4.04Å
687	L	97.4	Very high	93.6	Very high	12 Å²	12	44 Å²	44	6%	0.063	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.7	176	-178.4	78	0	0	0	108.9	H621 Y622 L695 S696 Y698 V736 V740	H621-L687 CarbonylContact O-C 3.57Å; H621-L687 WeakPolarHBondContact O-CA 3.42Å; Y622-L687 HydrophobicContact CD2-CB 4.18Å; Y622-L687 HydrophobicContact CD2-CD1 4.25Å; L687-L695 CarbonylContact O-C 3.56Å; L687-L695 WeakPolarHBondContact O-CA 3.48Å; L687-S696 PolarHBondContact N-O 2.87Å; L687-S696 PolarHBondContact O-N 3.05Å; L687-Y698 HydrophobicContact CB-CD2 4.49Å; L687-Y698 HydrophobicContact CB-CE2 3.88Å; L687-Y698 HydrophobicContact CD2-CE2 4.26Å; L687-V736 HydrophobicContact CD1-CG1 3.93Å; L687-V736 HydrophobicContact CD1-CG2 3.9Å; L687-V740 HydrophobicContact CD1-CG1 4.29Å; L687-V740 HydrophobicContact CD2-CG1 3.4Å; L687-V740 VanDerWaalsContact CD2-CG1 3.4Å; L687-V740 HydrophobicContact CG-CG1 4.37Å
688	L	96.4	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.5	170.1	172.6	66.3	0	0	0	108.2	I616 C620 H621 W623 V637 L695 F713 V717	I616-L688 HydrophobicContact CB-CD2 4Å; I616-L688 HydrophobicContact CD1-CD2 3.9Å; I616-L688 HydrophobicContact CG2-CD2 3.69Å; C620-L688 CarbonylContact C-O 3.55Å; C620-L688 WeakPolarHBondContact CA-O 3.4Å; H621-L688 PolarHBondContact N-O 3.43Å; H621-L688 PolarHBondContact O-N 3.38Å; W623-L688 HydrophobicContact CH2-CB 3.95Å; W623-L688 HydrophobicContact CH2-CD2 4.47Å; W623-L688 HydrophobicContact CZ3-CB 3.81Å; W623-L688 HydrophobicContact CZ3-CD2 4.49Å; V637-L688 HydrophobicContact CG1-CD2 4.42Å; L688-L695 HydrophobicContact CB-CD1 4.2Å; L688-L695 HydrophobicContact CD1-CD1 4.29Å; L688-F713 HydrophobicContact CD1-CE1 4.07Å; L688-F713 HydrophobicContact CD1-CE2 3.79Å; L688-F713 HydrophobicContact CD1-CZ 3.34Å; L688-V717 HydrophobicContact CD1-CG2 4.27Å; L688-V717 HydrophobicContact CD2-CG2 3.48Å; L688-V717 VanDerWaalsContact CD2-CG2 3.48Å
689	D	93.5	Very high	94.1	Very high	22 Å²	22	41.8 Å²	41.8	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	90.6	167.4	-167.3	-25.3	0	0	0	107.9	D691 N692 N693 S694	D689-D691 VanDerWaalsContact C-N 3.33Å; D689-D691 PolarHBondContact OD1-N 2.89Å; D689-N692 HydrophobicContact CB-CB 4.41Å; D689-N692 VanDerWaalsContact CG-ND2 3.33Å; D689-N692 WeakPolarHBondContact OD1-CB 3.35Å; D689-N692 PolarHBondContact OD1-N 3.44Å; D689-N692 PolarHBondContact OD1-ND2 3.43Å; D689-N692 PolarHBondContact OD2-ND2 2.62Å; D689-N693 PolarHBondContact O-N 3.03Å; D689-S694 WeakPolarHBondContact CB-OG 3.32Å; D689-S694 PolarHBondContact N-O 3.09Å; D689-S694 PolarHBondContact O-N 3.5Å
690	Y	92.4	Very high	94.4	Very high	32 Å²	32	37.8 Å²	37.8	13%	0.125	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-39.7	-176.1	-165.6	-79.3	0	0	0	110.5	D617 G619 N692 N693 F713 L715 V717	D617-Y690 VanDerWaalsContact C-CD1 3.44Å; D617-Y690 VanDerWaalsContact C-CE1 3.43Å; D617-Y690 VanDerWaalsContact O-CD1 3.28Å; D617-Y690 WeakPolarHBondContact O-CD1 3.31Å; D617-Y690 WeakPolarHBondContact O-CE1 3.35Å; G619-Y690 WeakPolarHBondContact O-CB 3.49Å; G619-Y690 PolarHBondContact O-N 2.91Å; Y690-N692 PolarHBondContact O-N 2.89Å; Y690-N693 PolarHBondContact O-N 2.84Å; Y690-F713 HydrophobicContact CD2-CB 4.19Å; Y690-F713 HydrophobicContact CD2-CD1 4.49Å; Y690-F713 AromaticContact CD2-CD2 3.91Å; Y690-F713 HydrophobicContact CD2-CD2 3.91Å; Y690-F713 HydrophobicContact CD2-CE2 4.42Å; Y690-F713 AromaticContact CD2-CG 3.95Å; Y690-F713 HydrophobicContact CD2-CG 3.95Å; Y690-F713 HydrophobicContact CE1-CB 4.13Å; Y690-F713 HydrophobicContact CE2-CB 3.56Å; Y690-F713 HydrophobicContact CE2-CD1 4.26Å; Y690-F713 HydrophobicContact CE2-CD2 4.16Å; Y690-F713 AromaticContact CE2-CG 3.75Å; Y690-F713 HydrophobicContact CE2-CG 3.75Å; Y690-F713 HydrophobicContact CG-CD2 4.17Å; Y690-L715 PolarHBondContact OH-O 2.12Å; Y690-V717 HydrophobicContact CD2-CG2 4.18Å; Y690-V717 HydrophobicContact CE2-CG2 4.28Å
691	D	88	Confident	94.6	Very high	90 Å²	90	36 Å²	36	48%	0.481	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-37.6	-178.2	-63.1	-20.4	0	0	0	111.9	G619 D689	G619-D691 VanDerWaalsContact CA-OD2 3.28Å; G619-D691 WeakPolarHBondContact CA-OD2 3.41Å; G619-D691 VanDerWaalsContact N-CG 3.27Å; G619-D691 PolarHBondContact N-OD1 3.32Å; G619-D691 PolarHBondContact N-OD2 3.38Å; D689-D691 VanDerWaalsContact C-N 3.33Å; D689-D691 PolarHBondContact OD1-N 2.89Å
692	N	89.2	Confident	94.6	Very high	103 Å²	103	40.8 Å²	40.8	55%	0.551	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	14.3	176.5	-60.7	-53.9	0	0	0	113.7	D689 Y690 S694	D689-N692 HydrophobicContact CB-CB 4.41Å; D689-N692 VanDerWaalsContact CG-ND2 3.33Å; D689-N692 WeakPolarHBondContact OD1-CB 3.35Å; D689-N692 PolarHBondContact OD1-N 3.44Å; D689-N692 PolarHBondContact OD1-ND2 3.43Å; D689-N692 PolarHBondContact OD2-ND2 2.62Å; Y690-N692 PolarHBondContact O-N 2.89Å; N692-S694 VanDerWaalsContact C-N 3.34Å; N692-S694 PolarHBondContact O-N 3.01Å
693	N	93.7	Very high	94.5	Very high	64 Å²	64	35 Å²	35	34%	0.342	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	39	173.8	-71.2	-55.2	0	0	0	114.1	D689 Y690 E710 I711 F713	D689-N693 PolarHBondContact O-N 3.03Å; Y690-N693 PolarHBondContact O-N 2.84Å; N693-E710 CarbonylContact O-C 3.19Å; N693-I711 CarbonylContact C-O 3.52Å; N693-I711 VanDerWaalsContact CA-O 3.27Å; N693-I711 WeakPolarHBondContact CA-O 3.33Å; N693-I711 WeakPolarHBondContact CB-O 3.46Å; N693-I711 PolarHBondContact O-N 2.73Å; N693-I711 PolarHBondContact OD1-O 2.98Å; N693-I711 VanDerWaalsContact OD1-O 3.13Å; N693-F713 PolarHBondContact OD1-N 2.97Å
694	S	95.6	Very high	94.3	Very high	16 Å²	16	36.4 Å²	36.4	11%	0.112	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.1	-179.1	78.4	0	0	0	0	114.2	D689 N692 F709	D689-S694 WeakPolarHBondContact CB-OG 3.32Å; D689-S694 PolarHBondContact N-O 3.09Å; D689-S694 PolarHBondContact O-N 3.5Å; N692-S694 VanDerWaalsContact C-N 3.34Å; N692-S694 PolarHBondContact O-N 3.01Å; S694-F709 CarbonylContact C-O 3.58Å; S694-F709 WeakPolarHBondContact CA-O 3.37Å
695	L	97.9	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	113	172.3	176	72.3	0	0	0	109.6	V637 W655 V686 L687 L688 F697 T708 F709 I711	V637-L695 HydrophobicContact CG1-CD1 3.95Å; V637-L695 HydrophobicContact CG2-CD1 4.35Å; V637-L695 HydrophobicContact CG2-CD2 3.66Å; W655-L695 HydrophobicContact CB-CD2 3.69Å; V686-L695 HydrophobicContact CG1-CD1 3.72Å; L687-L695 CarbonylContact O-C 3.56Å; L687-L695 WeakPolarHBondContact O-CA 3.48Å; L688-L695 HydrophobicContact CB-CD1 4.2Å; L688-L695 HydrophobicContact CD1-CD1 4.29Å; L695-F697 HydrophobicContact CD2-CE2 3.97Å; L695-F697 HydrophobicContact CD2-CZ 3.76Å; L695-F697 HydrophobicContact CG-CE2 4.02Å; L695-F697 HydrophobicContact CG-CZ 4.01Å; L695-T708 CarbonylContact O-C 3.58Å; L695-T708 WeakPolarHBondContact O-CA 3.29Å; L695-F709 HydrophobicContact CB-CB 4.37Å; L695-F709 HydrophobicContact CD2-CD2 4.15Å; L695-F709 PolarHBondContact N-O 2.99Å; L695-F709 PolarHBondContact O-N 3.29Å; L695-I711 HydrophobicContact CB-CD1 3.64Å; L695-I711 HydrophobicContact CD2-CD1 4.07Å
696	S	97.5	Very high	94.1	Very high	5 Å²	5	41.9 Å²	41.9	4%	0.035	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.7	-175.2	-56.9	0	0	0	0	112.5	L687 Y698 H707 T708	L687-S696 PolarHBondContact N-O 2.87Å; L687-S696 PolarHBondContact O-N 3.05Å; S696-Y698 VanDerWaalsContact CB-CE2 3.48Å; S696-H707 CarbonylContact C-O 3.49Å; S696-H707 WeakPolarHBondContact CA-O 3.5Å; S696-T708 WeakPolarHBondContact CB-OG1 3.32Å; S696-T708 VanDerWaalsContact OG-CG2 3.28Å; S696-T708 WeakPolarHBondContact OG-CG2 3.34Å; S696-T708 PolarHBondContact OG-OG1 2.69Å
697	F	97.8	Very high	94	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.4	179	-62.1	-83.3	0	0	0	110.6	I635 F657 L684 G685 V686 L695 I706 H707 F709	I635-F697 WeakPolarHBondContact O-CE1 3.33Å; F657-F697 HydrophobicContact CB-CD1 3.54Å; F657-F697 HydrophobicContact CB-CD2 4.18Å; F657-F697 HydrophobicContact CB-CE1 3.61Å; F657-F697 HydrophobicContact CB-CE2 4.25Å; F657-F697 HydrophobicContact CB-CG 3.83Å; F657-F697 HydrophobicContact CB-CZ 3.98Å; F657-F697 HydrophobicContact CG-CD1 4.41Å; L684-F697 HydrophobicContact CD1-CB 4.34Å; L684-F697 HydrophobicContact CD1-CD1 4.43Å; L684-F697 HydrophobicContact CD2-CD1 4.28Å; G685-F697 WeakPolarHBondContact O-CA 3.36Å; V686-F697 HydrophobicContact CG1-CD1 4.28Å; V686-F697 HydrophobicContact CG1-CE1 3.94Å; V686-F697 HydrophobicContact CG2-CD1 4Å; V686-F697 HydrophobicContact CG2-CE1 4.04Å; L695-F697 HydrophobicContact CD2-CE2 3.97Å; L695-F697 HydrophobicContact CD2-CZ 3.76Å; L695-F697 HydrophobicContact CG-CE2 4.02Å; L695-F697 HydrophobicContact CG-CZ 4.01Å; F697-I706 HydrophobicContact CB-CB 4.37Å; F697-I706 WeakPolarHBondContact O-CB 3.34Å; F697-I706 PolarHBondContact O-N 3.13Å; F697-H707 PolarHBondContact N-O 3.29Å; F697-H707 PolarHBondContact O-N 2.74Å; F697-F709 AromaticContact CE2-CD2 3.8Å; F697-F709 HydrophobicContact CE2-CD2 3.8Å; F697-F709 AromaticContact CE2-CE2 3.76Å; F697-F709 HydrophobicContact CE2-CE2 3.76Å
698	Y	96.2	Very high	94	Very high	20 Å²	20	44.8 Å²	44.8	8%	0.078	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.1	-175.6	-61	-92.6	0	0	0	111.8	G685 L687 S696 A700 Q704 H705 F739 V740	G685-Y698 PolarHBondContact N-O 3.36Å; G685-Y698 PolarHBondContact O-N 2.78Å; L687-Y698 HydrophobicContact CB-CD2 4.49Å; L687-Y698 HydrophobicContact CB-CE2 3.88Å; L687-Y698 HydrophobicContact CD2-CE2 4.26Å; S696-Y698 VanDerWaalsContact CB-CE2 3.48Å; Y698-A700 PolarHBondContact O-N 2.66Å; Y698-Q704 CarbonylContact C-O 3.53Å; Y698-Q704 VanDerWaalsContact CA-O 3.24Å; Y698-Q704 WeakPolarHBondContact CA-O 3.39Å; Y698-H705 HydrophobicContact CD1-CB 4.03Å; Y698-H705 HydrophobicContact CE1-CB 3.84Å; Y698-H705 AromaticContact CE1-CD2 3.68Å; Y698-H705 AromaticContact CZ-CD2 3.88Å; Y698-F739 HydrophobicContact CD1-CE2 4.18Å; Y698-F739 HydrophobicContact CG-CE2 4.44Å; Y698-V740 HydrophobicContact CE1-CG2 4.27Å; Y698-V740 HydrophobicContact CE2-CG1 4.37Å; Y698-V740 HydrophobicContact CE2-CG2 4.3Å
699	D	94.8	Very high	94	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.011	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	97.4	155	-174.8	-18.3	0	0	0	107.7	L681 M701 N702 S703 Q704 I706	L681-D699 HydrophobicContact CD1-CB 3.59Å; L681-D699 WeakPolarHBondContact CD1-OD2 3.43Å; D699-M701 PolarHBondContact O-N 3.17Å; D699-M701 PolarHBondContact OD1-N 3.03Å; D699-N702 HydrophobicContact CB-CB 4.47Å; D699-N702 VanDerWaalsContact CG-ND2 3.35Å; D699-N702 PolarHBondContact O-N 3.05Å; D699-N702 PolarHBondContact OD1-N 3.34Å; D699-N702 PolarHBondContact OD1-ND2 3.24Å; D699-N702 PolarHBondContact OD2-ND2 3.04Å; D699-S703 WeakPolarHBondContact O-CA 3.43Å; D699-S703 PolarHBondContact O-N 3.38Å; D699-Q704 HydrophobicContact CB-CB 4.17Å; D699-Q704 PolarHBondContact N-O 3.49Å; D699-Q704 PolarHBondContact O-N 3.34Å; D699-Q704 VanDerWaalsContact O-N 3.13Å; D699-I706 HydrophobicContact CB-CD1 4.39Å
700	A	92.8	Very high	94.2	Very high	13 Å²	13	52.3 Å²	52.3	11%	0.107	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.1	-172.1	0	0	0	0	0	113.4	Y622 E624 R683 Y698	Y622-A700 WeakPolarHBondContact OH-CB 3.43Å; E624-A700 HydrophobicContact CG-CB 4.26Å; E624-A700 WeakPolarHBondContact OE1-CB 3.09Å; R683-A700 HydrophobicContact CB-CB 4.48Å; R683-A700 HydrophobicContact CG-CB 3.85Å; R683-A700 PolarHBondContact O-N 3.31Å; Y698-A700 PolarHBondContact O-N 2.66Å
701	M	91.6	Very high	94.2	Very high	114 Å²	114	51.1 Å²	51.1	56%	0.562	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-32.2	176.5	-71.3	-66.4	-58	0	0	112.1	R683 D699	R683-M701 HydrophobicContact CB-CG 3.81Å; R683-M701 PolarHBondContact NE-SD 3.06Å; R683-M701 VanDerWaalsContact NE-SD 3.44Å; D699-M701 PolarHBondContact O-N 3.17Å; D699-M701 PolarHBondContact OD1-N 3.03Å
702	N	90.8	Very high	94.4	Very high	105 Å²	105	51.4 Å²	51.4	56%	0.561	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	4.5	-177	-62.3	-56.8	0	0	0	112.6	D699 Q704	D699-N702 HydrophobicContact CB-CB 4.47Å; D699-N702 VanDerWaalsContact CG-ND2 3.35Å; D699-N702 PolarHBondContact O-N 3.05Å; D699-N702 PolarHBondContact OD1-N 3.34Å; D699-N702 PolarHBondContact OD1-ND2 3.24Å; D699-N702 PolarHBondContact OD2-ND2 3.04Å; N702-Q704 HydrophobicContact CB-CB 4.49Å; N702-Q704 PolarHBondContact O-N 2.84Å; N702-Q704 VanDerWaalsContact O-N 3.15Å
703	S	90.8	Very high	94.4	Very high	63 Å²	63	47.4 Å²	47.4	44%	0.441	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	36.4	-175.3	-60.7	0	0	0	0	113.1	D699 F739	D699-S703 WeakPolarHBondContact O-CA 3.43Å; D699-S703 PolarHBondContact O-N 3.38Å; S703-F739 VanDerWaalsContact OG-CD1 3.3Å; S703-F739 WeakPolarHBondContact OG-CD1 3.41Å
704	Q	92.1	Very high	94.2	Very high	104 Å²	104	51.2 Å²	51.2	49%	0.486	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.5	-175.4	-171.5	179.5	27.2	0	0	110.3	Y698 D699 N702	Y698-Q704 CarbonylContact C-O 3.53Å; Y698-Q704 VanDerWaalsContact CA-O 3.24Å; Y698-Q704 WeakPolarHBondContact CA-O 3.39Å; D699-Q704 HydrophobicContact CB-CB 4.17Å; D699-Q704 PolarHBondContact N-O 3.49Å; D699-Q704 PolarHBondContact O-N 3.34Å; D699-Q704 VanDerWaalsContact O-N 3.13Å; N702-Q704 HydrophobicContact CB-CB 4.49Å; N702-Q704 PolarHBondContact O-N 2.84Å; N702-Q704 VanDerWaalsContact O-N 3.15Å
705	H	94.5	Very high	94.2	Very high	94 Å²	94	55 Å²	55	44%	0.435	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.5	168.6	176.4	-95.2	0	0	0	110.7	Y698 T708	Y698-H705 HydrophobicContact CD1-CB 4.03Å; Y698-H705 HydrophobicContact CE1-CB 3.84Å; Y698-H705 AromaticContact CE1-CD2 3.68Å; Y698-H705 AromaticContact CZ-CD2 3.88Å; H705-T708 PolarHBondContact NE2-OG1 3.17Å
706	I	95.4	Very high	94.1	Very high	20 Å²	20	57.2 Å²	57.2	10%	0.103	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-53.2	178.7	-58.1	173.7	0	0	0	110.1	F657 V675 A677 L681 L684 F697 D699	F657-I706 HydrophobicContact CD2-CG2 4.26Å; F657-I706 HydrophobicContact CE2-CD1 4.41Å; F657-I706 HydrophobicContact CE2-CG2 3.78Å; F657-I706 HydrophobicContact CZ-CD1 4.41Å; V675-I706 HydrophobicContact CB-CG2 4.13Å; V675-I706 HydrophobicContact CG2-CG2 3.81Å; A677-I706 HydrophobicContact CB-CD1 4.44Å; L681-I706 HydrophobicContact CD2-CD1 4.42Å; L684-I706 HydrophobicContact CD1-CD1 3.94Å; F697-I706 HydrophobicContact CB-CB 4.37Å; F697-I706 WeakPolarHBondContact O-CB 3.34Å; F697-I706 PolarHBondContact O-N 3.13Å; D699-I706 HydrophobicContact CB-CD1 4.39Å
707	H	96.3	Very high	94	Very high	34 Å²	34	57 Å²	57	16%	0.157	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	152.9	-176.5	-172.8	61.5	0	0	0	112.3	V666 M673 V675 S696 F697 F709	V666-H707 HydrophobicContact CG1-CB 3.89Å; M673-H707 WeakPolarHBondContact CE-CE1 3.49Å; M673-H707 WeakPolarHBondContact CE-ND1 3.32Å; V675-H707 HydrophobicContact CG1-CB 4.25Å; S696-H707 CarbonylContact C-O 3.49Å; S696-H707 WeakPolarHBondContact CA-O 3.5Å; F697-H707 PolarHBondContact N-O 3.29Å; F697-H707 PolarHBondContact O-N 2.74Å; H707-F709 AromaticContact NE2-CD1 3.86Å; H707-F709 AromaticContact NE2-CE1 3.95Å
708	T	97.1	Very high	94	Very high	40 Å²	40	57.2 Å²	57.2	25%	0.245	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130	171.4	-61.8	0	0	0	0	110.4	L695 S696 H705	L695-T708 CarbonylContact O-C 3.58Å; L695-T708 WeakPolarHBondContact O-CA 3.29Å; S696-T708 WeakPolarHBondContact CB-OG1 3.32Å; S696-T708 VanDerWaalsContact OG-CG2 3.28Å; S696-T708 WeakPolarHBondContact OG-CG2 3.34Å; S696-T708 PolarHBondContact OG-OG1 2.69Å; H705-T708 PolarHBondContact NE2-OG1 3.17Å
709	F	97.3	Very high	94.1	Very high	29 Å²	29	56.2 Å²	56.2	13%	0.127	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.1	162.9	-68.8	-76.5	0	0	0	109.9	W655 V666 H668 S694 L695 F697 H707 I711	W655-F709 HydrophobicContact CB-CD2 4.15Å; W655-F709 HydrophobicContact CB-CE2 4.15Å; W655-F709 AromaticContact CD1-CD1 3.99Å; V666-F709 HydrophobicContact CB-CE1 4.49Å; V666-F709 HydrophobicContact CB-CE2 3.97Å; V666-F709 HydrophobicContact CB-CZ 3.61Å; V666-F709 HydrophobicContact CG1-CE2 4.41Å; V666-F709 HydrophobicContact CG1-CZ 4.5Å; V666-F709 HydrophobicContact CG2-CE1 4.43Å; V666-F709 HydrophobicContact CG2-CZ 4.01Å; H668-F709 HydrophobicContact CB-CE1 4.05Å; H668-F709 HydrophobicContact CB-CZ 4.32Å; S694-F709 CarbonylContact C-O 3.58Å; S694-F709 WeakPolarHBondContact CA-O 3.37Å; L695-F709 HydrophobicContact CB-CB 4.37Å; L695-F709 HydrophobicContact CD2-CD2 4.15Å; L695-F709 PolarHBondContact N-O 2.99Å; L695-F709 PolarHBondContact O-N 3.29Å; F697-F709 AromaticContact CE2-CD2 3.8Å; F697-F709 HydrophobicContact CE2-CD2 3.8Å; F697-F709 AromaticContact CE2-CE2 3.76Å; F697-F709 HydrophobicContact CE2-CE2 3.76Å; H707-F709 AromaticContact NE2-CD1 3.86Å; H707-F709 AromaticContact NE2-CE1 3.95Å; F709-I711 HydrophobicContact CB-CD1 3.74Å; F709-I711 HydrophobicContact CB-CG1 3.63Å
710	E	96	Very high	94.1	Very high	151 Å²	151	56.2 Å²	56.2	71%	0.706	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.6	162.5	-62.1	-60.3	145.2	0	0	108.1	N693	N693-E710 CarbonylContact O-C 3.19Å
711	I	92.8	Very high	94.3	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.036	30%	0.295	C	S	.	.			trans	-132.6	116	-169.3	-51.5	171.3	0	0	0	109.7	W655 N693 L695 F709 F713	W655-I711 HydrophobicContact CB-CD1 4.05Å; W655-I711 HydrophobicContact CD2-CD1 3.72Å; W655-I711 HydrophobicContact CD2-CG1 4.39Å; W655-I711 HydrophobicContact CD2-CG2 4.34Å; W655-I711 HydrophobicContact CE3-CD1 4.4Å; W655-I711 HydrophobicContact CG-CD1 3.52Å; W655-I711 HydrophobicContact CG-CG1 4.29Å; W655-I711 HydrophobicContact CH2-CG2 4.01Å; W655-I711 HydrophobicContact CZ2-CG2 3.56Å; N693-I711 CarbonylContact C-O 3.52Å; N693-I711 VanDerWaalsContact CA-O 3.27Å; N693-I711 WeakPolarHBondContact CA-O 3.33Å; N693-I711 WeakPolarHBondContact CB-O 3.46Å; N693-I711 PolarHBondContact O-N 2.73Å; N693-I711 PolarHBondContact OD1-O 2.98Å; N693-I711 VanDerWaalsContact OD1-O 3.13Å; L695-I711 HydrophobicContact CB-CD1 3.64Å; L695-I711 HydrophobicContact CD2-CD1 4.07Å; F709-I711 HydrophobicContact CB-CD1 3.74Å; F709-I711 HydrophobicContact CB-CG1 3.63Å; I711-F713 HydrophobicContact CB-CD1 4.27Å; I711-F713 HydrophobicContact CB-CD2 4.49Å; I711-F713 HydrophobicContact CB-CE1 3.83Å; I711-F713 HydrophobicContact CB-CE2 4.08Å; I711-F713 HydrophobicContact CB-CZ 3.72Å; I711-F713 HydrophobicContact CD1-CE1 3.78Å; I711-F713 HydrophobicContact CD1-CZ 3.7Å; I711-F713 HydrophobicContact CG1-CE1 4.42Å; I711-F713 HydrophobicContact CG1-CZ 4.25Å; I711-F713 HydrophobicContact CG2-CD1 3.59Å; I711-F713 HydrophobicContact CG2-CE1 3.49Å; I711-F713 VanDerWaalsContact CG2-CE1 3.49Å; I711-F713 HydrophobicContact CG2-CE2 4.43Å; I711-F713 HydrophobicContact CG2-CG 4.13Å; I711-F713 HydrophobicContact CG2-CZ 3.94Å; I711-F713 WeakPolarHBondContact O-CD2 3.11Å; I711-F713 PolarHBondContact O-N 2.96Å
712	S	92	Very high	94.5	Very high	95 Å²	95	50.1 Å²	50.1	66%	0.664	27%	0.268	S	S	*	.			trans	-75.2	94.3	165.5	-52.2	0	0	0	0	109.7	L714	S712-L714 PolarHBondContact O-N 3.08Å
713	F	90.4	Very high	94.6	Very high	20 Å²	20	45.2 Å²	45.2	9%	0.088	24%	0.242	C	C	.	.			trans	-68.7	125.6	-179.5	-62.3	-71.5	0	0	0	110.7	Y639 L688 Y690 N693 I711 V717	Y639-F713 WeakPolarHBondContact OH-CA 3.16Å; L688-F713 HydrophobicContact CD1-CE1 4.07Å; L688-F713 HydrophobicContact CD1-CE2 3.79Å; L688-F713 HydrophobicContact CD1-CZ 3.34Å; Y690-F713 HydrophobicContact CD2-CB 4.19Å; Y690-F713 HydrophobicContact CD2-CD1 4.49Å; Y690-F713 AromaticContact CD2-CD2 3.91Å; Y690-F713 HydrophobicContact CD2-CD2 3.91Å; Y690-F713 HydrophobicContact CD2-CE2 4.42Å; Y690-F713 AromaticContact CD2-CG 3.95Å; Y690-F713 HydrophobicContact CD2-CG 3.95Å; Y690-F713 HydrophobicContact CE1-CB 4.13Å; Y690-F713 HydrophobicContact CE2-CB 3.56Å; Y690-F713 HydrophobicContact CE2-CD1 4.26Å; Y690-F713 HydrophobicContact CE2-CD2 4.16Å; Y690-F713 AromaticContact CE2-CG 3.75Å; Y690-F713 HydrophobicContact CE2-CG 3.75Å; Y690-F713 HydrophobicContact CG-CD2 4.17Å; N693-F713 PolarHBondContact OD1-N 2.97Å; I711-F713 HydrophobicContact CB-CD1 4.27Å; I711-F713 HydrophobicContact CB-CD2 4.49Å; I711-F713 HydrophobicContact CB-CE1 3.83Å; I711-F713 HydrophobicContact CB-CE2 4.08Å; I711-F713 HydrophobicContact CB-CZ 3.72Å; I711-F713 HydrophobicContact CD1-CE1 3.78Å; I711-F713 HydrophobicContact CD1-CZ 3.7Å; I711-F713 HydrophobicContact CG1-CE1 4.42Å; I711-F713 HydrophobicContact CG1-CZ 4.25Å; I711-F713 HydrophobicContact CG2-CD1 3.59Å; I711-F713 HydrophobicContact CG2-CE1 3.49Å; I711-F713 VanDerWaalsContact CG2-CE1 3.49Å; I711-F713 HydrophobicContact CG2-CE2 4.43Å; I711-F713 HydrophobicContact CG2-CG 4.13Å; I711-F713 HydrophobicContact CG2-CZ 3.94Å; I711-F713 WeakPolarHBondContact O-CD2 3.11Å; I711-F713 PolarHBondContact O-N 2.96Å; F713-V717 HydrophobicContact CD1-CG1 3.66Å; F713-V717 HydrophobicContact CE1-CG1 3.88Å
714	L	89.8	Confident	94.6	Very high	144 Å²	144	47.3 Å²	47.3	75%	0.754	24%	0.24	S	C	*	.			trans	-100.6	-22.2	-179.7	-61.7	177.9	0	0	0	112.6	Y639 S712	Y639-L714 PolarHBondContact OH-N 2.99Å; S712-L714 PolarHBondContact O-N 3.08Å
715	L	94.2	Very high	94.4	Very high	94 Å²	94	44 Å²	44	49%	0.492	23%	0.226	S	C	.	.	S	Bend	trans	-146.5	160.1	-173.5	-67.8	175.7	0	0	0	109.6	Y639 Y690 V717	Y639-L715 HydrophobicContact CD1-CB 3.89Å; Y639-L715 HydrophobicContact CE1-CB 4Å; Y639-L715 WeakPolarHBondContact CE1-O 3.39Å; Y690-L715 PolarHBondContact OH-O 2.12Å; L715-V717 PolarHBondContact O-N 3.31Å
716	P	95.6	Very high	94.2	Very high	48 Å²	48	44.5 Å²	44.5	31%	0.312	23%	0.227	S	C	.	.			trans	-54.2	136.3	171.6	-24.6	33.3	0	0	0	112.1	F615 I616 D617	F615-P716 HydrophobicContact CB-CB 3.99Å; F615-P716 HydrophobicContact CD1-CB 4.45Å; I616-P716 CarbonylContact O-C 3.45Å; I616-P716 VanDerWaalsContact O-CA 3.29Å; I616-P716 WeakPolarHBondContact O-CA 3.33Å; D617-P716 HydrophobicContact CB-CB 3.91Å; D617-P716 HydrophobicContact CB-CG 3.78Å
717	V	96.9	Very high	94	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	155.4	178.3	-64.9	0	0	0	0	111.1	F615 I616 V637 A638 Y639 L688 Y690 F713 L715	F615-V717 CarbonylContact C-O 3.55Å; F615-V717 WeakPolarHBondContact CA-O 3.5Å; I616-V717 HydrophobicContact CB-CG2 4.36Å; I616-V717 PolarHBondContact N-O 3.5Å; I616-V717 PolarHBondContact O-N 3.4Å; V637-V717 HydrophobicContact CB-CB 4.17Å; V637-V717 HydrophobicContact CB-CG2 4.35Å; V637-V717 HydrophobicContact CG2-CB 4.45Å; V637-V717 HydrophobicContact CG2-CG1 4.49Å; A638-V717 WeakPolarHBondContact O-CA 3.43Å; Y639-V717 HydrophobicContact CD1-CG1 3.67Å; Y639-V717 HydrophobicContact CE1-CG1 3.54Å; L688-V717 HydrophobicContact CD1-CG2 4.27Å; L688-V717 HydrophobicContact CD2-CG2 3.48Å; L688-V717 VanDerWaalsContact CD2-CG2 3.48Å; Y690-V717 HydrophobicContact CD2-CG2 4.18Å; Y690-V717 HydrophobicContact CE2-CG2 4.28Å; F713-V717 HydrophobicContact CD1-CG1 3.66Å; F713-V717 HydrophobicContact CE1-CG1 3.88Å; L715-V717 PolarHBondContact O-N 3.31Å
718	V	96.7	Very high	94	Very high	4 Å²	4	44 Å²	44	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.8	174	60.7	0	0	0	0	109.6	A611 G612 V614 F615 V637 A638 T720	A611-V718 HydrophobicContact CB-CG1 4.28Å; A611-V718 HydrophobicContact CB-CG2 4.08Å; G612-V718 WeakPolarHBondContact O-CG2 3.3Å; V614-V718 WeakPolarHBondContact O-CG2 3.44Å; F615-V718 HydrophobicContact CD1-CB 4.1Å; F615-V718 HydrophobicContact CE1-CB 4.05Å; F615-V718 HydrophobicContact CE1-CG1 4.25Å; V637-V718 WeakPolarHBondContact CA-O 3.43Å; A638-V718 PolarHBondContact N-O 3.43Å; A638-V718 WeakPolarHBondContact O-CG1 3.29Å; A638-V718 PolarHBondContact O-N 3.4Å; V718-T720 PolarHBondContact O-N 3.03Å
719	P	97.8	Very high	94	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	130.6	168.4	-26.4	35.7	0	0	0	110.7	F566 A611 G612 I616 W623 G636 F721	F566-P719 HydrophobicContact CD1-CG 4.04Å; F566-P719 HydrophobicContact CD2-CB 4.34Å; F566-P719 HydrophobicContact CD2-CG 4.18Å; F566-P719 HydrophobicContact CE1-CB 4.27Å; F566-P719 HydrophobicContact CE1-CG 3.67Å; F566-P719 HydrophobicContact CE2-CB 3.68Å; F566-P719 HydrophobicContact CE2-CG 3.83Å; F566-P719 HydrophobicContact CG-CG 4.29Å; F566-P719 HydrophobicContact CZ-CB 3.64Å; F566-P719 HydrophobicContact CZ-CG 3.57Å; A611-P719 CarbonylContact C-O 3.58Å; A611-P719 WeakPolarHBondContact CA-O 3.36Å; G612-P719 PolarHBondContact N-O 3.28Å; I616-P719 HydrophobicContact CD1-CG 4.4Å; W623-P719 HydrophobicContact CH2-CG 4.28Å; W623-P719 HydrophobicContact CZ2-CB 4.07Å; W623-P719 HydrophobicContact CZ2-CG 4.17Å; G636-P719 WeakPolarHBondContact O-CA 3.33Å; P719-F721 HydrophobicContact CB-CE2 3.66Å; P719-F721 HydrophobicContact CB-CZ 3.63Å
720	T	96.5	Very high	94	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.1	-177.9	-165.2	0	0	0	0	111.2	I635 G636 A638 V656 V718	I635-T720 WeakPolarHBondContact CA-O 3.47Å; G636-T720 PolarHBondContact N-O 3.48Å; G636-T720 PolarHBondContact O-N 2.67Å; A638-T720 HydrophobicContact CB-CG2 3.93Å; V656-T720 HydrophobicContact CG1-CG2 3.8Å; V718-T720 PolarHBondContact O-N 3.03Å
721	F	96.8	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	133	-173	-49.3	-85.6	0	0	0	109.5	F566 L568 M586 G609 A610 V625 A634 I635 P719 I730	F566-F721 AromaticContact CE2-CE2 3.9Å; F566-F721 HydrophobicContact CE2-CE2 3.9Å; F566-F721 AromaticContact CE2-CZ 3.69Å; F566-F721 HydrophobicContact CE2-CZ 3.69Å; F566-F721 AromaticContact CZ-CZ 4Å; F566-F721 HydrophobicContact CZ-CZ 4Å; L568-F721 HydrophobicContact CD2-CD2 3.52Å; L568-F721 HydrophobicContact CD2-CE2 3.95Å; L568-F721 HydrophobicContact CD2-CG 4.28Å; M586-F721 HydrophobicContact CE-CB 3.41Å; M586-F721 VanDerWaalsContact CE-CB 3.41Å; M586-F721 HydrophobicContact CE-CD2 4.41Å; M586-F721 HydrophobicContact CE-CG 4.15Å; M586-F721 HydrophobicContact SD-CB 4.17Å; G609-F721 CarbonylContact C-O 3.51Å; G609-F721 WeakPolarHBondContact CA-O 3.45Å; A610-F721 PolarHBondContact N-O 2.83Å; A610-F721 PolarHBondContact O-N 2.65Å; A610-F721 VanDerWaalsContact O-O 3.07Å; V625-F721 HydrophobicContact CG2-CD1 4.24Å; V625-F721 HydrophobicContact CG2-CE1 3.73Å; A634-F721 CarbonylContact O-C 3.54Å; A634-F721 WeakPolarHBondContact O-CA 3.35Å; I635-F721 HydrophobicContact CG1-CD1 4.27Å; I635-F721 HydrophobicContact CG2-CD1 3.94Å; I635-F721 HydrophobicContact CG2-CE1 4Å; P719-F721 HydrophobicContact CB-CE2 3.66Å; P719-F721 HydrophobicContact CB-CZ 3.63Å; F721-I730 HydrophobicContact CD1-CD1 4.05Å; F721-I730 HydrophobicContact CD1-CG1 4.24Å; F721-I730 HydrophobicContact CD2-CD1 3.82Å; F721-I730 HydrophobicContact CE1-CD1 3.79Å; F721-I730 HydrophobicContact CE1-CG1 3.81Å; F721-I730 HydrophobicContact CE2-CD1 3.52Å; F721-I730 HydrophobicContact CE2-CG1 4.4Å; F721-I730 HydrophobicContact CG-CD1 4.08Å; F721-I730 HydrophobicContact CZ-CD1 3.52Å; F721-I730 HydrophobicContact CZ-CG1 3.91Å; F721-I730 HydrophobicContact CZ-CG2 4.5Å
722	M	94.8	Very high	94.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.2	171.8	-50.9	-165.6	100.9	0	0	110.4	F602 Y608 Y633 A634 W647 S648	F602-M722 HydrophobicContact CD1-CE 3.73Å; F602-M722 HydrophobicContact CE1-CE 3.83Å; Y608-M722 WeakPolarHBondContact O-CA 3.15Å; Y633-M722 CarbonylContact C-O 3.56Å; Y633-M722 WeakPolarHBondContact CA-O 3.47Å; Y633-M722 VanDerWaalsContact CB-O 3.29Å; Y633-M722 WeakPolarHBondContact CB-O 3.35Å; A634-M722 HydrophobicContact CB-CB 4.25Å; A634-M722 PolarHBondContact N-O 3.09Å; A634-M722 PolarHBondContact O-N 2.85Å; W647-M722 HydrophobicContact CD2-SD 4.02Å; W647-M722 HydrophobicContact CE3-SD 4.17Å; W647-M722 HydrophobicContact CG-SD 4.24Å; W647-M722 HydrophobicContact CH2-CB 4.14Å; W647-M722 HydrophobicContact CZ2-CB 4.23Å; W647-M722 HydrophobicContact CZ3-CB 4.39Å; S648-M722 PolarHBondContact N-SD 3.03Å; S648-M722 PolarHBondContact OG-SD 3.13Å; S648-M722 VanDerWaalsContact OG-SD 3.32Å
723	I	93.3	Very high	94	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.6	174.3	61.5	169.1	0	0	0	110.3	L577 M586 K588 Y608 W632 K726 V728	L577-I723 HydrophobicContact CD2-CD1 3.83Å; L577-I723 HydrophobicContact CD2-CG1 3.75Å; M586-I723 HydrophobicContact CG-CD1 4.06Å; M586-I723 HydrophobicContact SD-CD1 4.3Å; M586-I723 HydrophobicContact SD-CG1 4.1Å; M586-I723 HydrophobicContact SD-CG2 4.15Å; K588-I723 HydrophobicContact CB-CD1 4.44Å; Y608-I723 WeakPolarHBondContact CB-O 3.21Å; Y608-I723 VanDerWaalsContact CD2-O 3.31Å; Y608-I723 WeakPolarHBondContact CD2-O 3.36Å; Y608-I723 PolarHBondContact O-N 2.81Å; W632-I723 WeakPolarHBondContact O-CA 3.49Å; I723-K726 WeakPolarHBondContact CD1-O 3.4Å; I723-V728 HydrophobicContact CG2-CB 4.37Å; I723-V728 HydrophobicContact CG2-CG1 3.75Å; I723-V728 HydrophobicContact CG2-CG2 3.71Å
724	W	89.5	Confident	94.1	Very high	107 Å²	107	38.5 Å²	38.5	41%	0.405	20%	0.203	S	C	.	.	S	Bend	trans	-105.2	-27.8	167.3	-170.9	-87.9	0	0	0	112.6	K588 G606 Y608 W632 W647	K588-W724 WeakPolarHBondContact CD-O 3.37Å; K588-W724 PolarHBondContact NZ-O 2.76Å; G606-W724 VanDerWaalsContact C-CZ3 3.43Å; G606-W724 WeakPolarHBondContact O-CZ3 3.5Å; Y608-W724 HydrophobicContact CE2-CD2 4.13Å; Y608-W724 HydrophobicContact CE2-CE3 4.18Å; W632-W724 HydrophobicContact CB-CB 3.5Å; W632-W724 VanDerWaalsContact CB-CB 3.5Å; W632-W724 HydrophobicContact CB-CG 4.4Å; W632-W724 HydrophobicContact CG-CB 4.28Å; W632-W724 PolarHBondContact O-N 3.48Å; W647-W724 HydrophobicContact CH2-CB 4.48Å; W647-W724 HydrophobicContact CZ3-CE3 4.23Å
725	N	88.9	Confident	94.1	Very high	35 Å²	35	35.1 Å²	35.1	19%	0.187	19%	0.189	C	C	.	.	S	Bend	trans	-141.5	152.7	-176.8	66.8	-11.9	0	0	0	112.5	S630 T631 W632	S630-N725 PolarHBondContact OG-O 2.8Å; S630-N725 PolarHBondContact OG-OD1 2.79Å; T631-N725 PolarHBondContact N-OD1 3.17Å; T631-N725 VanDerWaalsContact N-OD1 3.08Å; T631-N725 PolarHBondContact OG1-ND2 2.95Å; W632-N725 PolarHBondContact N-OD1 2.92Å
726	K	89.9	Confident	93.8	Very high	104 Å²	104	31.3 Å²	31.3	45%	0.452	17%	0.17	S	C	.	.	S	Bend	trans	60.5	-134.8	173	-57.5	169.3	177.9	-178.6	0	111.6	E587 K588 A629 I723	E587-K726 WeakPolarHBondContact CA-O 3.38Å; K588-K726 PolarHBondContact N-O 3.21Å; A629-K726 HydrophobicContact CB-CD 3.78Å; A629-K726 VanDerWaalsContact CB-NZ 3.32Å; A629-K726 WeakPolarHBondContact O-CD 3.28Å; A629-K726 WeakPolarHBondContact O-CE 3.46Å; A629-K726 PolarHBondContact O-NZ 2.79Å; I723-K726 WeakPolarHBondContact CD1-O 3.4Å
727	S	92.2	Very high	93.3	Very high	41 Å²	41	30.2 Å²	30.2	29%	0.287	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	158.6	-175.7	56.5	0	0	0	0	112.3	M586	M586-S727 CarbonylContact O-C 3.52Å; M586-S727 WeakPolarHBondContact O-CA 3.43Å; M586-S727 VanDerWaalsContact O-CB 3.25Å; M586-S727 WeakPolarHBondContact O-CB 3.48Å
728	V	95.6	Very high	92.4	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.2	167.1	-61.8	0	0	0	0	109.5	T585 M586 V625 L626 I723	T585-V728 WeakPolarHBondContact CA-O 3.44Å; T585-V728 WeakPolarHBondContact CG2-O 2.99Å; M586-V728 HydrophobicContact CG-CG2 3.45Å; M586-V728 VanDerWaalsContact CG-CG2 3.45Å; M586-V728 PolarHBondContact N-O 3.48Å; M586-V728 PolarHBondContact O-N 3.37Å; M586-V728 HydrophobicContact SD-CG2 4Å; V625-V728 HydrophobicContact CG1-CB 3.92Å; V625-V728 HydrophobicContact CG1-CG2 4.4Å; L626-V728 WeakPolarHBondContact O-CA 3.35Å; I723-V728 HydrophobicContact CG2-CB 4.37Å; I723-V728 HydrophobicContact CG2-CG1 3.75Å; I723-V728 HydrophobicContact CG2-CG2 3.71Å
729	M	97.1	Very high	91.5	Very high	76 Å²	76	40.1 Å²	40.1	37%	0.374	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.2	178.5	175.6	-171.9	-69	0	0	110.1	L584 T585 V625 L626	L584-M729 CarbonylContact O-C 3.54Å; L584-M729 WeakPolarHBondContact O-CA 3.24Å; T585-M729 HydrophobicContact CG2-CB 4.45Å; T585-M729 WeakPolarHBondContact OG1-CE 3.36Å; V625-M729 CarbonylContact C-O 3.49Å; V625-M729 WeakPolarHBondContact CA-O 3.38Å; L626-M729 HydrophobicContact CB-CB 4.24Å; L626-M729 HydrophobicContact CD1-CG 4.49Å; L626-M729 HydrophobicContact CD1-SD 3.91Å; L626-M729 PolarHBondContact N-O 2.89Å; L626-M729 PolarHBondContact O-N 3.43Å
730	I	97.1	Very high	90.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.2	-176.6	-64.8	156.5	0	0	0	110.1	F566 L568 L584 V625 F721	F566-I730 HydrophobicContact CE2-CG2 3.79Å; F566-I730 HydrophobicContact CZ-CG2 3.95Å; L568-I730 HydrophobicContact CD1-CD1 3.93Å; L568-I730 HydrophobicContact CD2-CD1 3.33Å; L568-I730 HydrophobicContact CG-CD1 3.53Å; L584-I730 PolarHBondContact O-N 2.73Å; V625-I730 HydrophobicContact CG2-CG1 4.46Å; F721-I730 HydrophobicContact CD1-CD1 4.05Å; F721-I730 HydrophobicContact CD1-CG1 4.24Å; F721-I730 HydrophobicContact CD2-CD1 3.82Å; F721-I730 HydrophobicContact CE1-CD1 3.79Å; F721-I730 HydrophobicContact CE1-CG1 3.81Å; F721-I730 HydrophobicContact CE2-CD1 3.52Å; F721-I730 HydrophobicContact CE2-CG1 4.4Å; F721-I730 HydrophobicContact CG-CD1 4.08Å; F721-I730 HydrophobicContact CZ-CD1 3.52Å; F721-I730 HydrophobicContact CZ-CG1 3.91Å; F721-I730 HydrophobicContact CZ-CG2 4.5Å
731	L	96.4	Very high	88.7	Confident	54 Å²	54	43.1 Å²	43.1	28%	0.283	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	99.6	168.7	-52.9	177.2	0	0	0	107.3	W623 E624 L626 L734	W623-L731 WeakPolarHBondContact CA-O 3.39Å; W623-L731 WeakPolarHBondContact CB-O 3.22Å; E624-L731 HydrophobicContact CB-CB 4.18Å; E624-L731 HydrophobicContact CB-CD1 4.29Å; E624-L731 PolarHBondContact N-O 3.47Å; E624-L731 PolarHBondContact O-N 3.22Å; L626-L731 HydrophobicContact CD1-CD1 4.27Å; L626-L731 HydrophobicContact CD1-CD2 4.5Å; L626-L731 HydrophobicContact CD1-CG 4.5Å; L626-L731 HydrophobicContact CD2-CD1 4.21Å; L626-L731 HydrophobicContact CG-CD1 4.12Å; L626-L731 HydrophobicContact CG-CG 4.38Å; L731-L734 HydrophobicContact CB-CD1 3.96Å; L731-L734 HydrophobicContact CB-CG 4.49Å
732	S	94.5	Very high	86.2	Confident	29 Å²	29	44.7 Å²	44.7	20%	0.203	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	166.7	-178	67.2	0	0	0	0	111.7	F566 L734	F566-S732 PolarHBondContact N-OG 2.79Å; F566-S732 VanDerWaalsContact N-OG 3.11Å; F566-S732 WeakPolarHBondContact O-CB 3.33Å; F566-S732 PolarHBondContact O-OG 3.45Å; S732-L734 VanDerWaalsContact C-N 3.26Å; S732-L734 PolarHBondContact O-N 3.01Å
733	G	89.8	Confident	83.7	Confident	20 Å²	20	49 Å²	49	21%	0.206	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73	18.1	178.7	0	0	0	0	0	114.4	S563	S563-G733 VanDerWaalsContact O-CA 3.3Å; S563-G733 WeakPolarHBondContact O-CA 3.41Å
734	L	91.9	Very high	81.2	Confident	46 Å²	46	51.4 Å²	51.4	24%	0.241	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.5	-178.2	-63.3	178.6	0	0	0	110.7	S563 Y622 E624 L731 S732	S563-L734 VanDerWaalsContact CB-O 3.25Å; S563-L734 WeakPolarHBondContact CB-O 3.34Å; S563-L734 PolarHBondContact OG-O 3.35Å; Y622-L734 HydrophobicContact CD1-CB 3.85Å; Y622-L734 HydrophobicContact CD1-CD1 4.27Å; Y622-L734 HydrophobicContact CE1-CB 4.41Å; Y622-L734 HydrophobicContact CE1-CD1 4.09Å; E624-L734 HydrophobicContact CB-CD1 3.93Å; E624-L734 HydrophobicContact CG-CD1 3.66Å; L731-L734 HydrophobicContact CB-CD1 3.96Å; L731-L734 HydrophobicContact CB-CG 4.49Å; S732-L734 VanDerWaalsContact C-N 3.26Å; S732-L734 PolarHBondContact O-N 3.01Å
735	P	89.9	Confident	78.8	Confident	73 Å²	73	49.7 Å²	49.7	47%	0.474	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-63.7	154.6	165.1	29.8	-34.1	0	0	0	109.8	Y622 P737	Y622-P735 WeakPolarHBondContact CD1-O 3.47Å; P735-P737 WeakPolarHBondContact O-CD 3.09Å
736	V	87.6	Confident	76.1	Confident	15 Å²	15	52.9 Å²	52.9	9%	0.091	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-67	127.6	171.3	177.8	0	0	0	0	108.1	L687 V740	L687-V736 HydrophobicContact CD1-CG1 3.93Å; L687-V736 HydrophobicContact CD1-CG2 3.9Å; V736-V740 HydrophobicContact CG1-CB 4.02Å; V736-V740 HydrophobicContact CG1-CG1 4.02Å
737	P	85.6	Confident	73.7	Confident	24 Å²	24	53.3 Å²	53.3	16%	0.156	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-68.5	145	-178.8	-21.1	32.8	0	0	0	112.9	Y622 P735 F739 V740 D741	Y622-P737 HydrophobicContact CD1-CG 3.93Å; Y622-P737 HydrophobicContact CE1-CG 3.45Å; Y622-P737 VanDerWaalsContact CE1-CG 3.45Å; Y622-P737 HydrophobicContact CE2-CG 4.2Å; Y622-P737 HydrophobicContact CG-CG 4.49Å; P735-P737 WeakPolarHBondContact O-CD 3.09Å; P737-F739 HydrophobicContact CB-CD1 3.48Å; P737-F739 VanDerWaalsContact CB-CD1 3.48Å; P737-F739 HydrophobicContact CB-CE1 3.18Å; P737-F739 HydrophobicContact CB-CE2 4.42Å; P737-F739 HydrophobicContact CB-CG 4.24Å; P737-F739 HydrophobicContact CB-CZ 3.7Å; P737-F739 HydrophobicContact CG-CD1 4.5Å; P737-F739 HydrophobicContact CG-CE1 3.75Å; P737-F739 HydrophobicContact CG-CZ 3.86Å; P737-F739 PolarHBondContact O-N 3.2Å; P737-F739 VanDerWaalsContact O-N 3.14Å; P737-V740 HydrophobicContact CB-CG2 4.29Å; P737-V740 HydrophobicContact CG-CG2 4.37Å; P737-V740 VanDerWaalsContact O-CB 3.3Å; P737-V740 WeakPolarHBondContact O-CB 3.4Å; P737-V740 PolarHBondContact O-N 2.96Å; P737-D741 PolarHBondContact O-N 3.34Å
738	D	78.3	Confident	71.2	Confident	145 Å²	145	57.4 Å²	57.4	78%	0.775	33%	0.331	S	S	*	.	H	α-helix	trans	-56.4	-33.9	-178.9	-57.6	-30	0	0	0	113.4	V740 D741 G742	D738-V740 PolarHBondContact O-N 3.07Å; D738-D741 PolarHBondContact O-N 3.23Å; D738-G742 PolarHBondContact O-N 3.34Å; D738-G742 VanDerWaalsContact O-N 3.17Å
739	F	78.9	Confident	68.4	Low	68 Å²	68	62.5 Å²	62.5	30%	0.298	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-17.2	178.2	68.2	-102.1	0	0	0	113.5	Y698 S703 P737	Y698-F739 HydrophobicContact CD1-CE2 4.18Å; Y698-F739 HydrophobicContact CG-CE2 4.44Å; S703-F739 VanDerWaalsContact OG-CD1 3.3Å; S703-F739 WeakPolarHBondContact OG-CD1 3.41Å; P737-F739 HydrophobicContact CB-CD1 3.48Å; P737-F739 VanDerWaalsContact CB-CD1 3.48Å; P737-F739 HydrophobicContact CB-CE1 3.18Å; P737-F739 HydrophobicContact CB-CE2 4.42Å; P737-F739 HydrophobicContact CB-CG 4.24Å; P737-F739 HydrophobicContact CB-CZ 3.7Å; P737-F739 HydrophobicContact CG-CD1 4.5Å; P737-F739 HydrophobicContact CG-CE1 3.75Å; P737-F739 HydrophobicContact CG-CZ 3.86Å; P737-F739 PolarHBondContact O-N 3.2Å; P737-F739 VanDerWaalsContact O-N 3.14Å
740	V	73.1	Confident	65.4	Low	11 Å²	11	65 Å²	65	7%	0.067	37%	0.365	C	S	.	.	H	α-helix	trans	-88.2	-41.2	175.9	179.4	0	0	0	0	110.6	L687 Y698 V736 P737 D738 G742	L687-V740 HydrophobicContact CD1-CG1 4.29Å; L687-V740 HydrophobicContact CD2-CG1 3.4Å; L687-V740 VanDerWaalsContact CD2-CG1 3.4Å; L687-V740 HydrophobicContact CG-CG1 4.37Å; Y698-V740 HydrophobicContact CE1-CG2 4.27Å; Y698-V740 HydrophobicContact CE2-CG1 4.37Å; Y698-V740 HydrophobicContact CE2-CG2 4.3Å; V736-V740 HydrophobicContact CG1-CB 4.02Å; V736-V740 HydrophobicContact CG1-CG1 4.02Å; P737-V740 HydrophobicContact CB-CG2 4.29Å; P737-V740 HydrophobicContact CG-CG2 4.37Å; P737-V740 VanDerWaalsContact O-CB 3.3Å; P737-V740 WeakPolarHBondContact O-CB 3.4Å; P737-V740 PolarHBondContact O-N 2.96Å; D738-V740 PolarHBondContact O-N 3.07Å; V740-G742 VanDerWaalsContact C-N 3.32Å; V740-G742 PolarHBondContact O-N 3.14Å
741	D	60.5	Low	62.6	Low	53 Å²	53	71.2 Å²	71.2	28%	0.283	40%	0.395	S	S	.	.	H	α-helix	trans	-69.5	-26.3	-179.5	-88.9	-36.4	0	0	0	112.9	R538 P737 D738 V743 T745	R538-D741 IonicContact NH2-OD1 3.77Å; R538-D741 PolarHBondContact NH2-OD1 3.2Å; P737-D741 PolarHBondContact O-N 3.34Å; D738-D741 PolarHBondContact O-N 3.23Å; D741-V743 VanDerWaalsContact C-N 3.33Å; D741-V743 PolarHBondContact O-N 3.07Å; D741-T745 PolarHBondContact O-OG1 3.12Å; D741-T745 VanDerWaalsContact O-OG1 3.05Å
742	G	46.4	Very low	59.9	Low	33 Å²	33	76 Å²	76	34%	0.34	42%	0.415	S	S	.	.	H	α-helix	trans	-65.7	-26.1	177.7	0	0	0	0	0	115.4	D738 V740 T745 D746	D738-G742 PolarHBondContact O-N 3.34Å; D738-G742 VanDerWaalsContact O-N 3.17Å; V740-G742 VanDerWaalsContact C-N 3.32Å; V740-G742 PolarHBondContact O-N 3.14Å; G742-T745 WeakPolarHBondContact CA-OG1 3.43Å; G742-T745 PolarHBondContact O-OG1 3.21Å; G742-D746 PolarHBondContact O-N 3.12Å
743	V	41.7	Very low	57.3	Low	91 Å²	91	80.8 Å²	80.8	55%	0.552	43%	0.434	S	S	*	.	H	α-helix	trans	-77.9	-29.3	-177.7	-173.4	0	0	0	0	111.8	D741	D741-V743 VanDerWaalsContact C-N 3.33Å; D741-V743 PolarHBondContact O-N 3.07Å
744	A	40.3	Very low	54.7	Low	51 Å²	51	86.9 Å²	86.9	42%	0.421	46%	0.458	S	S	.	.	H	α-helix	trans	-77.2	-32.2	178.3	0	0	0	0	0	112.6	Q748	A744-Q748 WeakPolarHBondContact O-CB 3.39Å; A744-Q748 PolarHBondContact O-N 3.35Å; A744-Q748 VanDerWaalsContact O-N 3.14Å
745	T	38.6	Very low	52.1	Low	71 Å²	71	91.7 Å²	91.7	44%	0.436	48%	0.48	S	S	.	.	H	α-helix	trans	-71.5	-41.2	179.4	22.2	0	0	0	0	111.7	D741 G742 L747 Q748 E749	D741-T745 PolarHBondContact O-OG1 3.12Å; D741-T745 VanDerWaalsContact O-OG1 3.05Å; G742-T745 WeakPolarHBondContact CA-OG1 3.43Å; G742-T745 PolarHBondContact O-OG1 3.21Å; T745-L747 PolarHBondContact O-N 3.25Å; T745-Q748 PolarHBondContact O-N 3.15Å; T745-E749 WeakPolarHBondContact O-CB 3.36Å; T745-E749 WeakPolarHBondContact O-CG 3.23Å; T745-E749 PolarHBondContact O-N 2.85Å
746	D	33.8	Very low	49.4	Very low	102 Å²	102	90.9 Å²	90.9	55%	0.545	49%	0.486	S	S	.	.	H	α-helix	trans	-64.9	-36.9	177.1	-79	-20	0	0	0	113	G742 Q750	G742-D746 PolarHBondContact O-N 3.12Å; D746-Q750 VanDerWaalsContact O-CB 3.3Å; D746-Q750 WeakPolarHBondContact O-CB 3.43Å; D746-Q750 VanDerWaalsContact O-CG 3.22Å; D746-Q750 WeakPolarHBondContact O-CG 3.43Å; D746-Q750 PolarHBondContact O-N 3.43Å; D746-Q750 VanDerWaalsContact O-N 3.07Å
747	L	38.5	Very low	46.9	Very low	112 Å²	112	97.3 Å²	97.3	59%	0.586	52%	0.519	S	S	*	.	H	α-helix	trans	-73.1	-36	176.9	-79	162.5	0	0	0	112.5	T745 Q751	T745-L747 PolarHBondContact O-N 3.25Å; L747-Q751 WeakPolarHBondContact O-CB 3.19Å; L747-Q751 PolarHBondContact O-N 2.94Å; L747-Q751 VanDerWaalsContact O-N 3.08Å
748	Q	38.8	Very low	44.2	Very low	127 Å²	127	101.3 Å²	101.3	59%	0.593	55%	0.546	S	S	*	.	H	α-helix	trans	-74.7	-39.3	175.8	-92.3	176.1	-27.6	0	0	112.7	A744 T745 Q751 Q752	A744-Q748 WeakPolarHBondContact O-CB 3.39Å; A744-Q748 PolarHBondContact O-N 3.35Å; A744-Q748 VanDerWaalsContact O-N 3.14Å; T745-Q748 PolarHBondContact O-N 3.15Å; Q748-Q751 PolarHBondContact O-N 2.69Å; Q748-Q752 VanDerWaalsContact O-CB 3.25Å; Q748-Q752 WeakPolarHBondContact O-CB 3.43Å; Q748-Q752 PolarHBondContact O-N 3.49Å
749	E	37.7	Very low	42.3	Very low	111 Å²	111	105 Å²	105	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-67.6	-37.2	175.4	-75.2	-171.6	169.5	0	0	111.8	T745 Q752 Q753	T745-E749 WeakPolarHBondContact O-CB 3.36Å; T745-E749 WeakPolarHBondContact O-CG 3.23Å; T745-E749 PolarHBondContact O-N 2.85Å; E749-Q752 PolarHBondContact O-N 3.27Å; E749-Q753 WeakPolarHBondContact O-CB 3.32Å; E749-Q753 WeakPolarHBondContact O-CG 3.22Å; E749-Q753 PolarHBondContact O-N 3.33Å
750	Q	34.3	Very low	40.1	Very low	128 Å²	128	110.3 Å²	110.3	60%	0.598	58%	0.575	S	S	*	*	H	α-helix	trans	-66.2	-40.6	172.5	-77.2	-179.9	7.5	0	0	112.3	D746 Q752 Q753 Q754	D746-Q750 VanDerWaalsContact O-CB 3.3Å; D746-Q750 WeakPolarHBondContact O-CB 3.43Å; D746-Q750 VanDerWaalsContact O-CG 3.22Å; D746-Q750 WeakPolarHBondContact O-CG 3.43Å; D746-Q750 PolarHBondContact O-N 3.43Å; D746-Q750 VanDerWaalsContact O-N 3.07Å; Q750-Q752 VanDerWaalsContact C-N 3.34Å; Q750-Q753 PolarHBondContact O-N 3.12Å; Q750-Q754 WeakPolarHBondContact O-CB 3.41Å; Q750-Q754 PolarHBondContact O-N 2.86Å
751	Q	37.1	Very low	37.9	Very low	132 Å²	132	118.4 Å²	118.4	62%	0.617	61%	0.612	S	S	*	*	H	α-helix	trans	-71.5	-30.1	178.4	-159.1	166.4	77.7	0	0	112.2	L747 Q748 M755	L747-Q751 WeakPolarHBondContact O-CB 3.19Å; L747-Q751 PolarHBondContact O-N 2.94Å; L747-Q751 VanDerWaalsContact O-N 3.08Å; Q748-Q751 PolarHBondContact O-N 2.69Å; Q751-M755 WeakPolarHBondContact O-CB 3.42Å; Q751-M755 WeakPolarHBondContact O-CG 3.21Å; Q751-M755 PolarHBondContact O-N 3.18Å
752	Q	41.3	Very low	36.2	Very low	154 Å²	154	121.4 Å²	121.4	72%	0.72	64%	0.637	S	S	*	*	H	α-helix	trans	-77.6	-32	174.9	-152	151.9	54.9	0	0	112.3	Q748 E749 Q750 G756	Q748-Q752 VanDerWaalsContact O-CB 3.25Å; Q748-Q752 WeakPolarHBondContact O-CB 3.43Å; Q748-Q752 PolarHBondContact O-N 3.49Å; E749-Q752 PolarHBondContact O-N 3.27Å; Q750-Q752 VanDerWaalsContact C-N 3.34Å; Q752-G756 PolarHBondContact O-N 3.05Å
753	Q	39.2	Very low	35.5	Very low	129 Å²	129	124.9 Å²	124.9	60%	0.603	65%	0.654	S	S	*	*	H	α-helix	trans	-68.7	-37	167.7	-77.1	176	15.7	0	0	112.1	E749 Q750 G756 L757	E749-Q753 WeakPolarHBondContact O-CB 3.32Å; E749-Q753 WeakPolarHBondContact O-CG 3.22Å; E749-Q753 PolarHBondContact O-N 3.33Å; Q750-Q753 PolarHBondContact O-N 3.12Å; Q753-G756 PolarHBondContact O-N 2.72Å; Q753-L757 WeakPolarHBondContact O-CD1 3.47Å; Q753-L757 WeakPolarHBondContact O-CG 3.25Å; Q753-L757 PolarHBondContact O-N 2.71Å
754	Q	35.3	Very low	34.8	Very low	149 Å²	149	131.3 Å²	131.3	70%	0.696	67%	0.67	S	S	*	*	H	α-helix	trans	-72.6	-33.3	178.6	-145	167.8	42.7	0	0	112.6	Q750	Q750-Q754 WeakPolarHBondContact O-CB 3.41Å; Q750-Q754 PolarHBondContact O-N 2.86Å
755	M	36.5	Very low	34.3	Very low	146 Å²	146	136.6 Å²	136.6	72%	0.719	69%	0.69	S	S	*	*	H	α-helix	trans	-79.9	-24.1	172.1	-71.7	-72.5	-77.7	0	0	113.3	Q751	Q751-M755 WeakPolarHBondContact O-CB 3.42Å; Q751-M755 WeakPolarHBondContact O-CG 3.21Å; Q751-M755 PolarHBondContact O-N 3.18Å
756	G	33.6	Very low	33.8	Very low	57 Å²	57	139.7 Å²	139.7	59%	0.588	71%	0.709	S	S	*	*	H	α-helix	trans	-75.7	-25.7	173	0	0	0	0	0	113.9	Q752 Q753	Q752-G756 PolarHBondContact O-N 3.05Å; Q753-G756 PolarHBondContact O-N 2.72Å
757	L	35.2	Very low	33.4	Very low	149 Å²	149	138.5 Å²	138.5	78%	0.78	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-11.8	176.7	-75.1	163	0	0	0	113.9	Q753	Q753-L757 WeakPolarHBondContact O-CD1 3.47Å; Q753-L757 WeakPolarHBondContact O-CG 3.25Å; Q753-L757 PolarHBondContact O-N 2.71Å
758	C	29.9	Very low	33	Very low	108 Å²	108	141.8 Å²	141.8	73%	0.73	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	15.2	-178.2	-148.2	0	0	0	0	114.1
759	R	37	Very low	32.3	Very low	223 Å²	223	145.1 Å²	145.1	84%	0.842	75%	0.748	S	S	*	*	S	Bend	trans	-130.3	57.3	172.7	-85.4	-168.9	173.2	-176.6	0.5	112
760	Q	32.9	Very low	31.9	Very low	179 Å²	179	145.9 Å²	145.9	84%	0.836	76%	0.76	S	S	*	*	S	Bend	trans	-162.5	138.1	148.2	-111.1	166	23.6	0	0	110.8
761	E	26.6	Very low	31.5	Very low	181 Å²	181	145.4 Å²	145.4	85%	0.846	77%	0.77	S	S	*	*			trans	81.2	86.6	170.5	-54.7	-171.5	167	0	0	117.9
762	S	25.2	Very low	31.1	Very low	116 Å²	116	151.8 Å²	151.8	81%	0.811	80%	0.799	S	S	*	*			trans	-82.2	122.1	145.1	175.8	0	0	0	0	108.4
763	P	31.7	Very low	30.6	Very low	106 Å²	106	151.7 Å²	151.7	69%	0.688	80%	0.803	S	S	*	*			trans	-98.6	98	177.3	34	-25.5	0	0	0	110
764	Y	26.9	Very low	30.2	Very low	226 Å²	226	152.8 Å²	152.8	89%	0.886	81%	0.813	S	S	*	*			trans	-139.7	95.8	152.2	-89.2	-77.3	0	0	0	109.8
765	L	30	Very low	29.9	Very low	163 Å²	163	153.1 Å²	153.1	85%	0.853	82%	0.82	S	S	*	*			trans	-63.8	135.8	169.4	-97.6	137.6	0	0	0	111
766	T	28.4	Very low	29.5	Very low	135 Å²	135	153.5 Å²	153.5	83%	0.828	83%	0.826	S	S	*	*			trans	-46	133.2	153.4	21.6	0	0	0	0	112.6
767	G	25	Very low	29.3	Very low	77 Å²	77	159.5 Å²	159.5	79%	0.794	84%	0.841	S	S	*	*			trans	-147.4	98.9	161.4	0	0	0	0	0	109.9
768	M	29.5	Very low	28.9	Very low	182 Å²	182	160.2 Å²	160.2	90%	0.897	85%	0.845	S	S	*	*			trans	-67.2	138	168.3	-71.6	170.6	87.4	0	0	110.3
769	K	25.7	Very low	28.8	Very low	197 Å²	197	163.9 Å²	163.9	86%	0.857	85%	0.853	S	S	*	*			trans	179.8	115.9	132.2	-98	166.5	-173.5	-174.9	0	112.6
770	T	29.5	Very low	28.2	Very low	126 Å²	126	159.4 Å²	159.4	77%	0.773	85%	0.854	S	S	*	*			trans	20.3	122.1	139.5	54.1	0	0	0	0	120.9
771	C	24.9	Very low	27.8	Very low	118 Å²	118	157.8 Å²	157.8	80%	0.797	86%	0.855	S	S	*	*				175	134.7	115.3	-97.3	0	0	0	0	112.2
772	H	29.8	Very low	27.9	Very low	266 Å²	266	155.6 Å²	155.6	100%	1.231	86%	0.856	S	S	*	*			trans	73.1	0	173.6	-70.8	-58.8	0	0	0	119.5

Retrieved 772 of 772 residues in 657.5 ms (Link to these results)

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