X2JFG6_DROME Loading...

LIM zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession X2JFG6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG34325, Length 104 aa.

						>X2JFG6_DROME|X2JFG6|Dmel\CG34325
MRTIKAMGETWHEECFLCRGPCMQQLAGSSFYEHDGLPYCRTDFEHMFAARCGNCKAPITENAIVALDAKWHRECFKCKKCKTPITASSFVVEDNQPLCKACSD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.7	Low	87.3	Confident	214 Å²	214	101.5 Å²	101.5	100%	1.054	53%	0.529	S	S	*	.				0	128.8	0	-61.7	164.9	-166.2	0	0	106.9
2	R	86.7	Confident	87.6	Confident	197 Å²	197	101.1 Å²	101.1	74%	0.743	52%	0.522	S	S	*	.			trans	-91.3	140.7	179.5	-70.8	-177.6	-179.5	173.3	0.6	109.7	E13	R2-E13 WeakPolarHBondContact CB-OE2 3.5Å; R2-E13 PolarHBondContact O-N 2.75Å
3	T	91.1	Very high	87.8	Confident	85 Å²	85	98.7 Å²	98.7	52%	0.521	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144.9	-179.7	54.5	0	0	0	0	109.6	T10 W11	T3-T10 HydrophobicContact CG2-CG2 4.18Å; T3-W11 CarbonylContact C-O 3.51Å; T3-W11 VanDerWaalsContact CA-O 3.23Å; T3-W11 WeakPolarHBondContact CA-O 3.18Å
4	I	90.9	Very high	87.8	Confident	35 Å²	35	101 Å²	101	18%	0.179	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	152.9	176.2	68.1	168.7	0	0	0	109.9	A6 T10 W11 E13 F16 A27	I4-A6 HydrophobicContact CD1-CB 4.35Å; I4-T10 WeakPolarHBondContact O-CA 3.37Å; I4-W11 HydrophobicContact CG1-CB 4.01Å; I4-W11 PolarHBondContact N-O 2.9Å; I4-W11 PolarHBondContact O-N 3.02Å; I4-E13 HydrophobicContact CG2-CG 4.05Å; I4-F16 HydrophobicContact CD1-CB 3.74Å; I4-F16 HydrophobicContact CD1-CD1 3.56Å; I4-F16 HydrophobicContact CD1-CD2 4.07Å; I4-F16 HydrophobicContact CD1-CE1 4.15Å; I4-F16 HydrophobicContact CD1-CG 3.52Å; I4-A27 HydrophobicContact CD1-CB 4.02Å; I4-A27 HydrophobicContact CG2-CB 4.47Å
5	K	90.3	Very high	87.9	Confident	192 Å²	192	98.6 Å²	98.6	84%	0.835	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	118.1	169.1	-69.4	-170	177	-167.5	0	108.9	E9	K5-E9 WeakPolarHBondContact CA-O 3.49Å
6	A	87.8	Confident	88.2	Confident	11 Å²	11	92.4 Å²	92.4	9%	0.091	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	147.7	179.8	0	0	0	0	0	109.4	I4 G8 E9 W11 F16 F31	I4-A6 HydrophobicContact CD1-CB 4.35Å; A6-G8 PolarHBondContact O-N 3.04Å; A6-G8 VanDerWaalsContact O-N 3.14Å; A6-E9 PolarHBondContact N-O 3.12Å; A6-E9 CarbonylContact O-C 3.51Å; A6-E9 PolarHBondContact O-N 3.02Å; A6-W11 PolarHBondContact O-NE1 3.34Å; A6-F16 HydrophobicContact CB-CD2 4.33Å; A6-F16 HydrophobicContact CB-CE1 4.32Å; A6-F16 HydrophobicContact CB-CE2 3.54Å; A6-F16 HydrophobicContact CB-CZ 3.54Å; A6-F31 HydrophobicContact CB-CZ 3.97Å
7	M	85.9	Confident	88.6	Confident	35 Å²	35	90.4 Å²	90.4	17%	0.172	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	30.3	177.3	-50.7	-171.9	161.7	0	0	114.3	E9 F16 F31 E33 P38	M7-E9 PolarHBondContact O-N 3.06Å; M7-F16 HydrophobicContact CE-CZ 4.38Å; M7-F16 HydrophobicContact SD-CE2 4.43Å; M7-F31 HydrophobicContact CE-CD2 3.65Å; M7-F31 HydrophobicContact CE-CE2 3.47Å; M7-F31 VanDerWaalsContact CE-CE2 3.47Å; M7-F31 HydrophobicContact CG-CE2 4.16Å; M7-E33 WeakPolarHBondContact CB-OE2 3.34Å; M7-E33 HydrophobicContact CE-CB 3.53Å; M7-E33 HydrophobicContact CE-CG 3.55Å; M7-E33 HydrophobicContact CG-CG 4.2Å; M7-E33 VanDerWaalsContact CG-OE2 3.24Å; M7-E33 WeakPolarHBondContact CG-OE2 3.27Å; M7-E33 HydrophobicContact SD-CB 4.44Å; M7-E33 HydrophobicContact SD-CG 3.82Å; M7-P38 HydrophobicContact CE-CB 3.53Å; M7-P38 HydrophobicContact CE-CG 4.43Å; M7-P38 HydrophobicContact SD-CB 4.22Å
8	G	86.3	Confident	88.9	Confident	90 Å²	90	85.4 Å²	85.4	93%	0.928	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-2	-176.3	0	0	0	0	0	115.2	A6	A6-G8 PolarHBondContact O-N 3.04Å; A6-G8 VanDerWaalsContact O-N 3.14Å
9	E	89.1	Confident	89.2	Confident	120 Å²	120	89.3 Å²	89.3	56%	0.561	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	171.7	-176.6	-63.8	-172.6	102.9	0	0	112.3	K5 A6 M7	K5-E9 WeakPolarHBondContact CA-O 3.49Å; A6-E9 PolarHBondContact N-O 3.12Å; A6-E9 CarbonylContact O-C 3.51Å; A6-E9 PolarHBondContact O-N 3.02Å; M7-E9 PolarHBondContact O-N 3.06Å
10	T	92.2	Very high	89.3	Confident	92 Å²	92	85.2 Å²	85.2	56%	0.564	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.2	175.4	-55.5	0	0	0	0	109.5	T3 I4	T3-T10 HydrophobicContact CG2-CG2 4.18Å; I4-T10 WeakPolarHBondContact O-CA 3.37Å
11	W	91.3	Very high	89.5	Confident	46 Å²	46	85.7 Å²	85.7	17%	0.174	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.4	-176.7	-65.6	74.8	0	0	0	110.3	T3 I4 A6 F16	T3-W11 CarbonylContact C-O 3.51Å; T3-W11 VanDerWaalsContact CA-O 3.23Å; T3-W11 WeakPolarHBondContact CA-O 3.18Å; I4-W11 HydrophobicContact CG1-CB 4.01Å; I4-W11 PolarHBondContact N-O 2.9Å; I4-W11 PolarHBondContact O-N 3.02Å; A6-W11 PolarHBondContact O-NE1 3.34Å; W11-F16 HydrophobicContact CB-CB 4.28Å; W11-F16 HydrophobicContact CB-CD2 3.89Å; W11-F16 HydrophobicContact CB-CG 4.48Å; W11-F16 AromaticContact CD2-CD2 3.65Å; W11-F16 HydrophobicContact CD2-CD2 3.65Å; W11-F16 HydrophobicContact CD2-CE2 4.17Å; W11-F16 AromaticContact CE3-CD2 3.93Å; W11-F16 HydrophobicContact CE3-CD2 3.93Å; W11-F16 AromaticContact CG-CD2 3.61Å; W11-F16 HydrophobicContact CG-CD2 3.61Å; W11-F16 HydrophobicContact CG-CE2 4.17Å
12	H	90.9	Very high	90.6	Very high	96 Å²	96	78.4 Å²	78.4	44%	0.444	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.5	162.5	-55.6	125.5	0	0	0	109	E14 C15 F16	H12-E14 HydrophobicContact CB-CG 4.09Å; H12-E14 PolarHBondContact O-N 2.89Å; H12-E14 VanDerWaalsContact O-N 3.16Å; H12-C15 HydrophobicContact CB-CB 4.04Å; H12-C15 PolarHBondContact O-N 2.99Å; H12-F16 PolarHBondContact O-N 3.05Å; H12-F16 VanDerWaalsContact O-N 3.11Å
13	E	89.6	Confident	90.9	Very high	70 Å²	70	75.5 Å²	75.5	33%	0.327	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.8	-179.1	-148.5	175.4	98.6	0	0	111.8	R2 I4 A27	R2-E13 WeakPolarHBondContact CB-OE2 3.5Å; R2-E13 PolarHBondContact O-N 2.75Å; I4-E13 HydrophobicContact CG2-CG 4.05Å; E13-A27 HydrophobicContact CB-CB 4.44Å; E13-A27 HydrophobicContact CG-CB 3.46Å; E13-A27 VanDerWaalsContact CG-CB 3.46Å
14	E	87.9	Confident	91	Very high	131 Å²	131	76.7 Å²	76.7	61%	0.612	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-25.1	176.7	65.8	-170	83.5	0	0	114.7	H12 L17	H12-E14 HydrophobicContact CB-CG 4.09Å; H12-E14 PolarHBondContact O-N 2.89Å; H12-E14 VanDerWaalsContact O-N 3.16Å; E14-L17 WeakPolarHBondContact O-CD2 3.14Å; E14-L17 WeakPolarHBondContact O-CG 3.39Å
15	C	89.8	Confident	91.1	Very high	65 Å²	65	79.9 Å²	79.9	44%	0.439	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-14.4	179.1	-62.1	0	0	0	0	112.4	H12 L17	H12-C15 HydrophobicContact CB-CB 4.04Å; H12-C15 PolarHBondContact O-N 2.99Å; C15-L17 PolarHBondContact O-N 3.01Å
16	F	93.3	Very high	91.2	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.381	C	S	.	.			trans	-81.9	69	178.4	-158.3	-105	0	0	0	110.9	I4 A6 M7 W11 H12 L26 F31 P38	I4-F16 HydrophobicContact CD1-CB 3.74Å; I4-F16 HydrophobicContact CD1-CD1 3.56Å; I4-F16 HydrophobicContact CD1-CD2 4.07Å; I4-F16 HydrophobicContact CD1-CE1 4.15Å; I4-F16 HydrophobicContact CD1-CG 3.52Å; A6-F16 HydrophobicContact CB-CD2 4.33Å; A6-F16 HydrophobicContact CB-CE1 4.32Å; A6-F16 HydrophobicContact CB-CE2 3.54Å; A6-F16 HydrophobicContact CB-CZ 3.54Å; M7-F16 HydrophobicContact CE-CZ 4.38Å; M7-F16 HydrophobicContact SD-CE2 4.43Å; W11-F16 HydrophobicContact CB-CB 4.28Å; W11-F16 HydrophobicContact CB-CD2 3.89Å; W11-F16 HydrophobicContact CB-CG 4.48Å; W11-F16 AromaticContact CD2-CD2 3.65Å; W11-F16 HydrophobicContact CD2-CD2 3.65Å; W11-F16 HydrophobicContact CD2-CE2 4.17Å; W11-F16 AromaticContact CE3-CD2 3.93Å; W11-F16 HydrophobicContact CE3-CD2 3.93Å; W11-F16 AromaticContact CG-CD2 3.61Å; W11-F16 HydrophobicContact CG-CD2 3.61Å; W11-F16 HydrophobicContact CG-CE2 4.17Å; H12-F16 PolarHBondContact O-N 3.05Å; H12-F16 VanDerWaalsContact O-N 3.11Å; F16-L26 HydrophobicContact CD1-CB 3.61Å; F16-L26 HydrophobicContact CE1-CB 3.72Å; F16-L26 PolarHBondContact O-N 3.15Å; F16-F31 AromaticContact CE1-CD1 3.62Å; F16-F31 HydrophobicContact CE1-CD1 3.62Å; F16-F31 HydrophobicContact CE1-CD2 4.25Å; F16-F31 AromaticContact CE1-CE1 3.67Å; F16-F31 HydrophobicContact CE1-CE1 3.67Å; F16-F31 HydrophobicContact CE1-CE2 4.31Å; F16-F31 AromaticContact CE1-CG 3.93Å; F16-F31 HydrophobicContact CE1-CG 3.93Å; F16-F31 HydrophobicContact CE1-CZ 4.03Å; F16-F31 HydrophobicContact CZ-CD1 4.03Å; F16-F31 AromaticContact CZ-CD2 3.95Å; F16-F31 HydrophobicContact CZ-CD2 3.95Å; F16-F31 AromaticContact CZ-CE1 3.78Å; F16-F31 HydrophobicContact CZ-CE1 3.78Å; F16-F31 AromaticContact CZ-CE2 3.72Å; F16-F31 HydrophobicContact CZ-CE2 3.72Å; F16-F31 HydrophobicContact CZ-CG 4.11Å; F16-F31 AromaticContact CZ-CZ 3.63Å; F16-F31 HydrophobicContact CZ-CZ 3.63Å; F16-P38 HydrophobicContact CD2-CB 4.43Å; F16-P38 HydrophobicContact CD2-CG 4.18Å; F16-P38 HydrophobicContact CE1-CB 4.13Å; F16-P38 HydrophobicContact CE2-CB 3.81Å; F16-P38 HydrophobicContact CE2-CG 3.92Å; F16-P38 HydrophobicContact CZ-CB 3.64Å; F16-P38 HydrophobicContact CZ-CG 4.25Å
17	L	93.7	Very high	91.3	Very high	57 Å²	57	71.3 Å²	71.3	30%	0.298	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-105.7	149.6	-178.4	-54.7	177.5	0	0	0	110.5	E14 C15 R19 Q24 Q25	E14-L17 WeakPolarHBondContact O-CD2 3.14Å; E14-L17 WeakPolarHBondContact O-CG 3.39Å; C15-L17 PolarHBondContact O-N 3.01Å; L17-R19 PolarHBondContact O-N 3.31Å; L17-Q24 CarbonylContact C-O 3.58Å; L17-Q24 VanDerWaalsContact CA-O 3.31Å; L17-Q24 WeakPolarHBondContact CA-O 3.32Å; L17-Q25 HydrophobicContact CD2-CB 4.03Å; L17-Q25 HydrophobicContact CD2-CG 3.8Å
18	C	95.1	Very high	91.3	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.014	42%	0.421	C	S	.	.			trans	-54.3	129.6	170.5	-175.5	0	0	0	0	110.3	G20 C22 M23 Q24 L26 P38 C40 D43	C18-G20 PolarHBondContact O-N 3.21Å; C18-G20 PolarHBondContact SG-N 2.97Å; C18-C22 WeakPolarHBondContact CB-SG 3.5Å; C18-C22 VanDerWaalsContact SG-SG 3.63Å; C18-M23 WeakPolarHBondContact O-CA 3.39Å; C18-Q24 PolarHBondContact N-O 2.85Å; C18-L26 HydrophobicContact CB-CD1 3.92Å; C18-L26 HydrophobicContact CB-CG 4.29Å; C18-P38 CarbonylContact C-O 3.54Å; C18-P38 WeakPolarHBondContact CA-O 3.4Å; C18-C40 HydrophobicContact CB-CB 4.32Å; C18-C40 PolarHBondContact SG-N 2.88Å; C18-D43 PolarHBondContact SG-OD2 2.97Å
19	R	94.2	Very high	91.4	Very high	158 Å²	158	72.6 Å²	72.6	60%	0.596	40%	0.398	S	S	*	.	S	Bend	trans	-80.9	4.1	174.7	-68.8	-59.5	-136	176.9	7.6	113.9	L17 L37 P38 Y39	L17-R19 PolarHBondContact O-N 3.31Å; R19-L37 HydrophobicContact CB-CB 4.24Å; R19-L37 HydrophobicContact CG-CB 3.93Å; R19-L37 HydrophobicContact CG-CD2 3.96Å; R19-L37 HydrophobicContact CG-CG 4.37Å; R19-P38 HydrophobicContact CG-CG 4.43Å; R19-P38 PolarHBondContact N-O 3.46Å; R19-Y39 HydrophobicContact CB-CD1 4.27Å; R19-Y39 HydrophobicContact CB-CE1 3.7Å; R19-Y39 HydrophobicContact CB-CE2 4.24Å
20	G	91.9	Very high	91.5	Very high	7 Å²	7	72.2 Å²	72.2	7%	0.072	41%	0.408	C	S	.	.	S	Bend	trans	-84.7	-179.8	167.3	0	0	0	0	0	113.1	C18 C22 M23	C18-G20 PolarHBondContact O-N 3.21Å; C18-G20 PolarHBondContact SG-N 2.97Å; G20-C22 PolarHBondContact O-N 3.19Å; G20-C22 VanDerWaalsContact O-N 3.13Å; G20-M23 PolarHBondContact O-N 2.89Å
21	P	92.4	Very high	91.6	Very high	97 Å²	97	71.4 Å²	71.4	63%	0.63	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.7	-179.3	24.8	-37.1	0	0	0	114.3	D43 M47	P21-D43 WeakPolarHBondContact CD-OD1 3.39Å; P21-D43 VanDerWaalsContact CG-OD1 3.26Å; P21-D43 WeakPolarHBondContact CG-OD1 3.46Å; P21-M47 HydrophobicContact CG-CE 4.31Å
22	C	93.2	Very high	91.6	Very high	61 Å²	61	74 Å²	74	41%	0.412	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-25.3	-179.3	77.7	0	0	0	0	114	C18 G20 Q24 D43	C18-C22 WeakPolarHBondContact CB-SG 3.5Å; C18-C22 VanDerWaalsContact SG-SG 3.63Å; G20-C22 PolarHBondContact O-N 3.19Å; G20-C22 VanDerWaalsContact O-N 3.13Å; C22-Q24 PolarHBondContact O-N 3.44Å; C22-Q24 PolarHBondContact SG-N 3.39Å; C22-D43 PolarHBondContact N-OD2 3.06Å; C22-D43 PolarHBondContact SG-OD2 2.8Å
23	M	91.2	Very high	91.7	Very high	135 Å²	135	74.8 Å²	74.8	67%	0.665	41%	0.411	S	S	*	.			trans	46.5	27	-174.3	-62.2	-167.8	-69.6	0	0	114.8	C18 G20	C18-M23 WeakPolarHBondContact O-CA 3.39Å; G20-M23 PolarHBondContact O-N 2.89Å
24	Q	93.2	Very high	91.8	Very high	111 Å²	111	75 Å²	75	52%	0.519	41%	0.412	S	S	.	.			trans	-69.9	145.3	-176.9	-170.4	-173.3	-71.3	0	0	111.2	L17 C18 C22 L26	L17-Q24 CarbonylContact C-O 3.58Å; L17-Q24 VanDerWaalsContact CA-O 3.31Å; L17-Q24 WeakPolarHBondContact CA-O 3.32Å; C18-Q24 PolarHBondContact N-O 2.85Å; C22-Q24 PolarHBondContact O-N 3.44Å; C22-Q24 PolarHBondContact SG-N 3.39Å; Q24-L26 PolarHBondContact O-N 3.27Å
25	Q	93.4	Very high	91.9	Very high	101 Å²	101	75.8 Å²	75.8	47%	0.472	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-63.2	125.8	170.8	-136.1	167.5	57.5	0	0	111.2	L17	L17-Q25 HydrophobicContact CD2-CB 4.03Å; L17-Q25 HydrophobicContact CD2-CG 3.8Å
26	L	93.6	Very high	91.9	Very high	2 Å²	2	74.5 Å²	74.5	1%	0.01	42%	0.418	C	S	.	.			trans	-105.9	-6.9	-178.6	-65.8	173.8	0	0	0	112.4	F16 C18 Q24 G28 S29 F31 P38 C40	F16-L26 HydrophobicContact CD1-CB 3.61Å; F16-L26 HydrophobicContact CE1-CB 3.72Å; F16-L26 PolarHBondContact O-N 3.15Å; C18-L26 HydrophobicContact CB-CD1 3.92Å; C18-L26 HydrophobicContact CB-CG 4.29Å; Q24-L26 PolarHBondContact O-N 3.27Å; L26-G28 PolarHBondContact O-N 3.3Å; L26-S29 PolarHBondContact O-N 3.01Å; L26-F31 HydrophobicContact CB-CB 4.18Å; L26-F31 HydrophobicContact CD1-CB 3.92Å; L26-F31 HydrophobicContact CD2-CB 4.16Å; L26-F31 HydrophobicContact CG-CB 4.31Å; L26-P38 HydrophobicContact CD1-CB 3.78Å; L26-C40 HydrophobicContact CD2-CB 3.86Å
27	A	89.9	Confident	91.8	Very high	21 Å²	21	76.8 Å²	76.8	17%	0.174	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	124.7	175.9	0	0	0	0	0	110.6	I4 E13 S29	I4-A27 HydrophobicContact CD1-CB 4.02Å; I4-A27 HydrophobicContact CG2-CB 4.47Å; E13-A27 HydrophobicContact CB-CB 4.44Å; E13-A27 HydrophobicContact CG-CB 3.46Å; E13-A27 VanDerWaalsContact CG-CB 3.46Å; A27-S29 PolarHBondContact O-N 2.84Å
28	G	85.9	Confident	91.8	Very high	90 Å²	90	74.1 Å²	74.1	93%	0.928	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	4	-177.9	0	0	0	0	0	115.5	L26	L26-G28 PolarHBondContact O-N 3.3Å
29	S	88.4	Confident	91.8	Very high	63 Å²	63	75.1 Å²	75.1	44%	0.441	42%	0.42	S	S	.	.	S	Bend	trans	-113.6	163.4	175.8	-65.5	0	0	0	0	111.5	L26 A27 F31	L26-S29 PolarHBondContact O-N 3.01Å; A27-S29 PolarHBondContact O-N 2.84Å; S29-F31 WeakPolarHBondContact O-CD1 3.45Å
30	S	90.7	Very high	91.8	Very high	112 Å²	112	68.3 Å²	68.3	78%	0.783	40%	0.396	S	S	*	.			trans	-69.3	130.7	171	-53.9	0	0	0	0	110.6
31	F	93.5	Very high	91.8	Very high	74 Å²	74	74.1 Å²	74.1	33%	0.325	42%	0.416	S	S	.	.			trans	-136.5	167.7	178.2	65.1	-90.7	0	0	0	110.9	A6 M7 F16 L26 S29 P38 Y39	A6-F31 HydrophobicContact CB-CZ 3.97Å; M7-F31 HydrophobicContact CE-CD2 3.65Å; M7-F31 HydrophobicContact CE-CE2 3.47Å; M7-F31 VanDerWaalsContact CE-CE2 3.47Å; M7-F31 HydrophobicContact CG-CE2 4.16Å; F16-F31 AromaticContact CE1-CD1 3.62Å; F16-F31 HydrophobicContact CE1-CD1 3.62Å; F16-F31 HydrophobicContact CE1-CD2 4.25Å; F16-F31 AromaticContact CE1-CE1 3.67Å; F16-F31 HydrophobicContact CE1-CE1 3.67Å; F16-F31 HydrophobicContact CE1-CE2 4.31Å; F16-F31 AromaticContact CE1-CG 3.93Å; F16-F31 HydrophobicContact CE1-CG 3.93Å; F16-F31 HydrophobicContact CE1-CZ 4.03Å; F16-F31 HydrophobicContact CZ-CD1 4.03Å; F16-F31 AromaticContact CZ-CD2 3.95Å; F16-F31 HydrophobicContact CZ-CD2 3.95Å; F16-F31 AromaticContact CZ-CE1 3.78Å; F16-F31 HydrophobicContact CZ-CE1 3.78Å; F16-F31 AromaticContact CZ-CE2 3.72Å; F16-F31 HydrophobicContact CZ-CE2 3.72Å; F16-F31 HydrophobicContact CZ-CG 4.11Å; F16-F31 AromaticContact CZ-CZ 3.63Å; F16-F31 HydrophobicContact CZ-CZ 3.63Å; L26-F31 HydrophobicContact CB-CB 4.18Å; L26-F31 HydrophobicContact CD1-CB 3.92Å; L26-F31 HydrophobicContact CD2-CB 4.16Å; L26-F31 HydrophobicContact CG-CB 4.31Å; S29-F31 WeakPolarHBondContact O-CD1 3.45Å; F31-P38 HydrophobicContact CD2-CB 4.45Å; F31-Y39 WeakPolarHBondContact CA-O 3.26Å
32	Y	92.7	Very high	91.7	Very high	101 Å²	101	73.4 Å²	73.4	40%	0.396	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.3	175.6	-67.6	-98.3	0	0	0	109.7	Y39 R41 F44	Y32-Y39 PolarHBondContact N-O 3.37Å; Y32-Y39 PolarHBondContact O-N 3.1Å; Y32-R41 HydrophobicContact CD2-CB 4.27Å; Y32-R41 HydrophobicContact CE2-CB 3.73Å; Y32-R41 HydrophobicContact CE2-CG 3.91Å; Y32-F44 HydrophobicContact CD1-CD1 4.14Å; Y32-F44 HydrophobicContact CD1-CE1 4.19Å; Y32-F44 HydrophobicContact CD1-CG 4.45Å; Y32-F44 HydrophobicContact CG-CB 4.33Å; Y32-F44 HydrophobicContact CG-CD1 4.12Å; Y32-F44 HydrophobicContact CG-CD2 4.34Å; Y32-F44 HydrophobicContact CG-CG 4.01Å
33	E	92.9	Very high	91.7	Very high	112 Å²	112	71.3 Å²	71.3	52%	0.523	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.9	174.5	-170.9	-177.9	110.5	0	0	110.1	M7	M7-E33 WeakPolarHBondContact CB-OE2 3.34Å; M7-E33 HydrophobicContact CE-CB 3.53Å; M7-E33 HydrophobicContact CE-CG 3.55Å; M7-E33 HydrophobicContact CG-CG 4.2Å; M7-E33 VanDerWaalsContact CG-OE2 3.24Å; M7-E33 WeakPolarHBondContact CG-OE2 3.27Å; M7-E33 HydrophobicContact SD-CB 4.44Å; M7-E33 HydrophobicContact SD-CG 3.82Å
34	H	91.8	Very high	91.8	Very high	75 Å²	75	67.1 Å²	67.1	35%	0.347	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.7	168.4	-161.4	70.6	0	0	0	109.7	G36 L37 Y39 F44 F48	H34-G36 PolarHBondContact O-N 2.92Å; H34-L37 PolarHBondContact N-O 2.91Å; H34-L37 WeakPolarHBondContact O-CA 3.46Å; H34-L37 WeakPolarHBondContact O-CB 3.46Å; H34-L37 PolarHBondContact O-N 3.43Å; H34-Y39 HydrophobicContact CB-CD2 3.82Å; H34-Y39 HydrophobicContact CB-CE2 3.74Å; H34-F44 HydrophobicContact CB-CD2 4.15Å; H34-F44 HydrophobicContact CB-CE2 3.79Å; H34-F44 AromaticContact ND1-CE2 3.99Å; H34-F48 HydrophobicContact CB-CD2 4.35Å; H34-F48 HydrophobicContact CB-CE2 3.98Å; H34-F48 HydrophobicContact CB-CZ 4.22Å; H34-F48 AromaticContact CD2-CD1 3.68Å; H34-F48 AromaticContact CD2-CE1 3.26Å; H34-F48 WeakPolarHBondContact CD2-CE1 3.44Å; H34-F48 AromaticContact CD2-CE2 3.93Å; H34-F48 AromaticContact CD2-CZ 3.4Å; H34-F48 VanDerWaalsContact CD2-CZ 3.4Å; H34-F48 WeakPolarHBondContact CD2-CZ 3.46Å; H34-F48 AromaticContact CE1-CD1 3.94Å; H34-F48 AromaticContact CG-CE2 3.94Å; H34-F48 AromaticContact CG-CZ 3.9Å; H34-F48 AromaticContact NE2-CD1 3.5Å; H34-F48 AromaticContact NE2-CE1 3.46Å; H34-F48 WeakPolarHBondContact NE2-CE1 3.45Å
35	D	90.1	Very high	91.6	Very high	147 Å²	147	63.2 Å²	63.2	79%	0.786	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	36	178.2	-151.6	-119.5	0	0	0	113.5	L37	D35-L37 VanDerWaalsContact C-N 3.26Å; D35-L37 PolarHBondContact O-N 3.45Å
36	G	89.1	Confident	91.3	Very high	38 Å²	38	63.9 Å²	63.9	39%	0.392	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	13.2	-176.3	0	0	0	0	0	114.8	H34	H34-G36 PolarHBondContact O-N 2.92Å
37	L	91.4	Very high	91.1	Very high	49 Å²	49	68.3 Å²	68.3	26%	0.257	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.2	-177.9	-65.6	170.1	0	0	0	111.5	R19 H34 D35 Y39	R19-L37 HydrophobicContact CB-CB 4.24Å; R19-L37 HydrophobicContact CG-CB 3.93Å; R19-L37 HydrophobicContact CG-CD2 3.96Å; R19-L37 HydrophobicContact CG-CG 4.37Å; H34-L37 PolarHBondContact N-O 2.91Å; H34-L37 WeakPolarHBondContact O-CA 3.46Å; H34-L37 WeakPolarHBondContact O-CB 3.46Å; H34-L37 PolarHBondContact O-N 3.43Å; D35-L37 VanDerWaalsContact C-N 3.26Å; D35-L37 PolarHBondContact O-N 3.45Å; L37-Y39 HydrophobicContact CB-CD2 4.43Å; L37-Y39 HydrophobicContact CB-CE2 3.61Å; L37-Y39 VanDerWaalsContact O-CD2 3.23Å; L37-Y39 WeakPolarHBondContact O-CD2 3.41Å; L37-Y39 WeakPolarHBondContact O-CE2 3.3Å
38	P	94.2	Very high	91	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.006	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	130.5	177.9	31.3	-34.9	0	0	0	112.5	M7 F16 C18 R19 L26 F31	M7-P38 HydrophobicContact CE-CB 3.53Å; M7-P38 HydrophobicContact CE-CG 4.43Å; M7-P38 HydrophobicContact SD-CB 4.22Å; F16-P38 HydrophobicContact CD2-CB 4.43Å; F16-P38 HydrophobicContact CD2-CG 4.18Å; F16-P38 HydrophobicContact CE1-CB 4.13Å; F16-P38 HydrophobicContact CE2-CB 3.81Å; F16-P38 HydrophobicContact CE2-CG 3.92Å; F16-P38 HydrophobicContact CZ-CB 3.64Å; F16-P38 HydrophobicContact CZ-CG 4.25Å; C18-P38 CarbonylContact C-O 3.54Å; C18-P38 WeakPolarHBondContact CA-O 3.4Å; R19-P38 HydrophobicContact CG-CG 4.43Å; R19-P38 PolarHBondContact N-O 3.46Å; L26-P38 HydrophobicContact CD1-CB 3.78Å; F31-P38 HydrophobicContact CD2-CB 4.45Å
39	Y	94.9	Very high	91.1	Very high	23 Å²	23	67.5 Å²	67.5	9%	0.09	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.8	175.3	-66.3	-91.1	0	0	0	111.1	R19 F31 Y32 H34 L37 D43 M47 F48	R19-Y39 HydrophobicContact CB-CD1 4.27Å; R19-Y39 HydrophobicContact CB-CE1 3.7Å; R19-Y39 HydrophobicContact CB-CE2 4.24Å; F31-Y39 WeakPolarHBondContact CA-O 3.26Å; Y32-Y39 PolarHBondContact N-O 3.37Å; Y32-Y39 PolarHBondContact O-N 3.1Å; H34-Y39 HydrophobicContact CB-CD2 3.82Å; H34-Y39 HydrophobicContact CB-CE2 3.74Å; L37-Y39 HydrophobicContact CB-CD2 4.43Å; L37-Y39 HydrophobicContact CB-CE2 3.61Å; L37-Y39 VanDerWaalsContact O-CD2 3.23Å; L37-Y39 WeakPolarHBondContact O-CD2 3.41Å; L37-Y39 WeakPolarHBondContact O-CE2 3.3Å; Y39-D43 HydrophobicContact CD1-CB 4.46Å; Y39-M47 HydrophobicContact CE1-SD 4.22Å; Y39-F48 HydrophobicContact CD1-CE2 4.04Å; Y39-F48 HydrophobicContact CD2-CE2 4.07Å; Y39-F48 AromaticContact CE1-CE2 3.98Å; Y39-F48 HydrophobicContact CE1-CE2 3.98Å; Y39-F48 HydrophobicContact CE1-CZ 4.12Å; Y39-F48 HydrophobicContact CE2-CE2 4.01Å; Y39-F48 HydrophobicContact CE2-CZ 4.15Å; Y39-F48 HydrophobicContact CG-CE2 4.09Å; Y39-F48 AromaticContact CZ-CE2 3.98Å; Y39-F48 AromaticContact CZ-CZ 3.87Å
40	C	93.9	Very high	91.1	Very high	14 Å²	14	66.3 Å²	66.3	10%	0.095	35%	0.345	C	S	.	.			trans	-70.6	160.3	167.3	78.7	0	0	0	0	109.4	C18 L26 T42 D43 F44	C18-C40 HydrophobicContact CB-CB 4.32Å; C18-C40 PolarHBondContact SG-N 2.88Å; L26-C40 HydrophobicContact CD2-CB 3.86Å; C40-T42 VanDerWaalsContact C-N 3.27Å; C40-T42 PolarHBondContact O-N 3.43Å; C40-D43 PolarHBondContact O-N 2.9Å; C40-D43 PolarHBondContact SG-N 3.01Å; C40-D43 PolarHBondContact SG-OD2 3.25Å; C40-D43 VanDerWaalsContact SG-OD2 3.37Å; C40-F44 VanDerWaalsContact O-CB 3.24Å; C40-F44 WeakPolarHBondContact O-CB 3.38Å; C40-F44 PolarHBondContact O-N 3.46Å
41	R	91.2	Very high	91.1	Very high	130 Å²	130	68.9 Å²	68.9	49%	0.491	34%	0.337	S	S	.	.	H	α-helix	trans	-49.2	-50.1	176.9	-178.6	178.5	173	173.1	5	111.9	Y32 F44 E45	Y32-R41 HydrophobicContact CD2-CB 4.27Å; Y32-R41 HydrophobicContact CE2-CB 3.73Å; Y32-R41 HydrophobicContact CE2-CG 3.91Å; R41-F44 PolarHBondContact O-N 2.79Å; R41-E45 HydrophobicContact CG-CG 4.31Å; R41-E45 WeakPolarHBondContact CG-OE2 2.89Å; R41-E45 IonicContact CZ-OE1 3.6Å; R41-E45 IonicContact NE-OE1 2.92Å; R41-E45 PolarHBondContact NE-OE1 2.97Å; R41-E45 IonicContact NE-OE2 3.57Å; R41-E45 IonicContact NH2-OE1 3.35Å; R41-E45 PolarHBondContact NH2-OE1 3.07Å; R41-E45 VanDerWaalsContact O-CB 3.29Å; R41-E45 WeakPolarHBondContact O-CB 3.3Å; R41-E45 WeakPolarHBondContact O-CG 3.48Å; R41-E45 PolarHBondContact O-N 3.46Å
42	T	90.8	Very high	91	Very high	82 Å²	82	65.5 Å²	65.5	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-49.9	-174.7	-51.8	0	0	0	0	112.7	C40 E45 H46	C40-T42 VanDerWaalsContact C-N 3.27Å; C40-T42 PolarHBondContact O-N 3.43Å; T42-E45 PolarHBondContact O-N 2.88Å; T42-H46 WeakPolarHBondContact O-CB 3.38Å; T42-H46 PolarHBondContact O-CD2 2.89Å; T42-H46 PolarHBondContact O-N 2.91Å
43	D	93.2	Very high	90.7	Very high	16 Å²	16	62.6 Å²	62.6	9%	0.086	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-40.6	179.9	-75.7	-42.8	0	0	0	111.2	C18 P21 C22 Y39 C40 E45 H46 M47	C18-D43 PolarHBondContact SG-OD2 2.97Å; P21-D43 WeakPolarHBondContact CD-OD1 3.39Å; P21-D43 VanDerWaalsContact CG-OD1 3.26Å; P21-D43 WeakPolarHBondContact CG-OD1 3.46Å; C22-D43 PolarHBondContact N-OD2 3.06Å; C22-D43 PolarHBondContact SG-OD2 2.8Å; Y39-D43 HydrophobicContact CD1-CB 4.46Å; C40-D43 PolarHBondContact O-N 2.9Å; C40-D43 PolarHBondContact SG-N 3.01Å; C40-D43 PolarHBondContact SG-OD2 3.25Å; C40-D43 VanDerWaalsContact SG-OD2 3.37Å; D43-E45 VanDerWaalsContact C-N 3.34Å; D43-E45 PolarHBondContact O-N 2.96Å; D43-H46 PolarHBondContact O-N 3.26Å; D43-M47 VanDerWaalsContact O-CB 3.3Å; D43-M47 WeakPolarHBondContact O-CB 3.3Å; D43-M47 VanDerWaalsContact O-CG 3.3Å; D43-M47 WeakPolarHBondContact O-CG 3.37Å; D43-M47 PolarHBondContact O-N 3.35Å
44	F	92.5	Very high	90.4	Very high	47 Å²	47	61 Å²	61	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-47.1	176	-175	-87	0	0	0	110.9	Y32 H34 C40 R41 F48	Y32-F44 HydrophobicContact CD1-CD1 4.14Å; Y32-F44 HydrophobicContact CD1-CE1 4.19Å; Y32-F44 HydrophobicContact CD1-CG 4.45Å; Y32-F44 HydrophobicContact CG-CB 4.33Å; Y32-F44 HydrophobicContact CG-CD1 4.12Å; Y32-F44 HydrophobicContact CG-CD2 4.34Å; Y32-F44 HydrophobicContact CG-CG 4.01Å; H34-F44 HydrophobicContact CB-CD2 4.15Å; H34-F44 HydrophobicContact CB-CE2 3.79Å; H34-F44 AromaticContact ND1-CE2 3.99Å; C40-F44 VanDerWaalsContact O-CB 3.24Å; C40-F44 WeakPolarHBondContact O-CB 3.38Å; C40-F44 PolarHBondContact O-N 3.46Å; R41-F44 PolarHBondContact O-N 2.79Å; F44-F48 HydrophobicContact CB-CD2 4.34Å; F44-F48 AromaticContact CD2-CD2 3.56Å; F44-F48 HydrophobicContact CD2-CD2 3.56Å; F44-F48 HydrophobicContact CD2-CE2 4.08Å; F44-F48 AromaticContact CE2-CD2 3.97Å; F44-F48 HydrophobicContact CE2-CD2 3.97Å; F44-F48 AromaticContact CG-CD2 3.92Å; F44-F48 HydrophobicContact CG-CD2 3.92Å; F44-F48 WeakPolarHBondContact O-CA 3.5Å; F44-F48 WeakPolarHBondContact O-CB 3.49Å; F44-F48 WeakPolarHBondContact O-CD2 3.23Å; F44-F48 PolarHBondContact O-N 2.99Å
45	E	89.7	Confident	90.3	Very high	30 Å²	30	60.3 Å²	60.3	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-43.8	176.3	-74.5	169.9	148.9	0	0	111.7	R41 T42 D43 A49 T60	R41-E45 HydrophobicContact CG-CG 4.31Å; R41-E45 WeakPolarHBondContact CG-OE2 2.89Å; R41-E45 IonicContact CZ-OE1 3.6Å; R41-E45 IonicContact NE-OE1 2.92Å; R41-E45 PolarHBondContact NE-OE1 2.97Å; R41-E45 IonicContact NE-OE2 3.57Å; R41-E45 IonicContact NH2-OE1 3.35Å; R41-E45 PolarHBondContact NH2-OE1 3.07Å; R41-E45 VanDerWaalsContact O-CB 3.29Å; R41-E45 WeakPolarHBondContact O-CB 3.3Å; R41-E45 WeakPolarHBondContact O-CG 3.48Å; R41-E45 PolarHBondContact O-N 3.46Å; T42-E45 PolarHBondContact O-N 2.88Å; D43-E45 VanDerWaalsContact C-N 3.34Å; D43-E45 PolarHBondContact O-N 2.96Å; E45-A49 WeakPolarHBondContact O-CA 3.35Å; E45-A49 WeakPolarHBondContact O-CB 3.49Å; E45-A49 PolarHBondContact O-N 3.23Å; E45-T60 HydrophobicContact CB-CG2 3.87Å; E45-T60 HydrophobicContact CG-CG2 3.7Å; E45-T60 WeakPolarHBondContact OE1-CB 3.36Å; E45-T60 WeakPolarHBondContact OE1-CG2 3.26Å
46	H	87.2	Confident	90.2	Very high	115 Å²	115	61 Å²	61	53%	0.532	32%	0.318	S	S	.	.	H	α-helix	trans	-68.5	-37.7	-178.8	-90.5	-106.8	0	0	0	113.7	T42 D43	T42-H46 WeakPolarHBondContact O-CB 3.38Å; T42-H46 PolarHBondContact O-CD2 2.89Å; T42-H46 PolarHBondContact O-N 2.91Å; D43-H46 PolarHBondContact O-N 3.26Å
47	M	88.5	Confident	90.1	Very high	94 Å²	94	61 Å²	61	46%	0.463	31%	0.314	S	S	.	.	H	α-helix	trans	-86.7	-39.8	-175.7	-67	-177.2	165.8	0	0	112.4	P21 Y39 D43	P21-M47 HydrophobicContact CG-CE 4.31Å; Y39-M47 HydrophobicContact CE1-SD 4.22Å; D43-M47 VanDerWaalsContact O-CB 3.3Å; D43-M47 WeakPolarHBondContact O-CB 3.3Å; D43-M47 VanDerWaalsContact O-CG 3.3Å; D43-M47 WeakPolarHBondContact O-CG 3.37Å; D43-M47 PolarHBondContact O-N 3.35Å
48	F	88.8	Confident	90	Very high	73 Å²	73	60.5 Å²	60.5	32%	0.32	31%	0.313	S	S	.	.	H	α-helix	trans	-117.6	-11.7	-167.8	-47.2	-66.3	0	0	0	114.3	H34 Y39 F44	H34-F48 HydrophobicContact CB-CD2 4.35Å; H34-F48 HydrophobicContact CB-CE2 3.98Å; H34-F48 HydrophobicContact CB-CZ 4.22Å; H34-F48 AromaticContact CD2-CD1 3.68Å; H34-F48 AromaticContact CD2-CE1 3.26Å; H34-F48 WeakPolarHBondContact CD2-CE1 3.44Å; H34-F48 AromaticContact CD2-CE2 3.93Å; H34-F48 AromaticContact CD2-CZ 3.4Å; H34-F48 VanDerWaalsContact CD2-CZ 3.4Å; H34-F48 WeakPolarHBondContact CD2-CZ 3.46Å; H34-F48 AromaticContact CE1-CD1 3.94Å; H34-F48 AromaticContact CG-CE2 3.94Å; H34-F48 AromaticContact CG-CZ 3.9Å; H34-F48 AromaticContact NE2-CD1 3.5Å; H34-F48 AromaticContact NE2-CE1 3.46Å; H34-F48 WeakPolarHBondContact NE2-CE1 3.45Å; Y39-F48 HydrophobicContact CD1-CE2 4.04Å; Y39-F48 HydrophobicContact CD2-CE2 4.07Å; Y39-F48 AromaticContact CE1-CE2 3.98Å; Y39-F48 HydrophobicContact CE1-CE2 3.98Å; Y39-F48 HydrophobicContact CE1-CZ 4.12Å; Y39-F48 HydrophobicContact CE2-CE2 4.01Å; Y39-F48 HydrophobicContact CE2-CZ 4.15Å; Y39-F48 HydrophobicContact CG-CE2 4.09Å; Y39-F48 AromaticContact CZ-CE2 3.98Å; Y39-F48 AromaticContact CZ-CZ 3.87Å; F44-F48 HydrophobicContact CB-CD2 4.34Å; F44-F48 AromaticContact CD2-CD2 3.56Å; F44-F48 HydrophobicContact CD2-CD2 3.56Å; F44-F48 HydrophobicContact CD2-CE2 4.08Å; F44-F48 AromaticContact CE2-CD2 3.97Å; F44-F48 HydrophobicContact CE2-CD2 3.97Å; F44-F48 AromaticContact CG-CD2 3.92Å; F44-F48 HydrophobicContact CG-CD2 3.92Å; F44-F48 WeakPolarHBondContact O-CA 3.5Å; F44-F48 WeakPolarHBondContact O-CB 3.49Å; F44-F48 WeakPolarHBondContact O-CD2 3.23Å; F44-F48 PolarHBondContact O-N 2.99Å
49	A	87.9	Confident	89.8	Confident	22 Å²	22	61.1 Å²	61.1	18%	0.182	32%	0.317	C	S	.	.	S	Bend	trans	-67.5	146.3	177.7	0	0	0	0	0	111.7	E45 R51 P58	E45-A49 WeakPolarHBondContact O-CA 3.35Å; E45-A49 WeakPolarHBondContact O-CB 3.49Å; E45-A49 PolarHBondContact O-N 3.23Å; A49-R51 PolarHBondContact O-N 3.36Å; A49-P58 HydrophobicContact CB-CB 3.91Å
50	A	88.6	Confident	89.1	Confident	38 Å²	38	63.9 Å²	63.9	31%	0.314	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-59.9	136.9	173.3	0	0	0	0	0	110.3	I59 K70	A50-I59 PolarHBondContact O-N 3.41Å; A50-K70 HydrophobicContact CB-CB 4.27Å; A50-K70 HydrophobicContact CB-CD 3.66Å; A50-K70 HydrophobicContact CB-CG 4.15Å
51	R	90.1	Very high	88.3	Confident	166 Å²	166	69.6 Å²	69.6	63%	0.626	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-92.8	143.1	-179.5	-64.4	-177.6	-177.9	-176.4	0.1	111	A49 G53 A57	A49-R51 PolarHBondContact O-N 3.36Å; R51-G53 PolarHBondContact O-N 2.87Å; R51-A57 WeakPolarHBondContact CA-O 3.24Å
52	C	90.9	Very high	87.7	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.02	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-63.7	129.7	175.1	180	0	0	0	0	111.3	N54 C55 K56 A57 I59 K70 H72 C75	C52-N54 PolarHBondContact O-N 2.89Å; C52-N54 VanDerWaalsContact O-N 3.1Å; C52-N54 PolarHBondContact SG-N 2.87Å; C52-N54 VanDerWaalsContact SG-N 3.45Å; C52-C55 WeakPolarHBondContact CB-SG 3.17Å; C52-C55 VanDerWaalsContact SG-SG 3.64Å; C52-K56 WeakPolarHBondContact O-CA 3.36Å; C52-K56 PolarHBondContact O-N 3.42Å; C52-A57 PolarHBondContact N-O 2.84Å; C52-I59 HydrophobicContact CB-CD1 3.97Å; C52-I59 HydrophobicContact CB-CG1 4.01Å; C52-K70 CarbonylContact C-O 3.51Å; C52-K70 VanDerWaalsContact CA-O 3.27Å; C52-K70 WeakPolarHBondContact CA-O 3.24Å; C52-H72 WeakPolarHBondContact CB-ND1 3.29Å; C52-H72 PolarHBondContact SG-N 3.06Å; C52-C75 WeakPolarHBondContact SG-CB 3.34Å; C52-C75 VanDerWaalsContact SG-SG 3.68Å
53	G	86.6	Confident	87.6	Confident	40 Å²	40	65.6 Å²	65.6	41%	0.412	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-23	176.1	0	0	0	0	0	114.3	R51 K70 W71	R51-G53 PolarHBondContact O-N 2.87Å; G53-K70 PolarHBondContact N-O 3.46Å; G53-W71 VanDerWaalsContact C-CZ3 3.47Å
54	N	87.6	Confident	87.3	Confident	77 Å²	77	67 Å²	67	41%	0.412	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-67	178.8	-160.2	-7.3	0	0	0	112.6	C52 W71 C75	C52-N54 PolarHBondContact O-N 2.89Å; C52-N54 VanDerWaalsContact O-N 3.1Å; C52-N54 PolarHBondContact SG-N 2.87Å; C52-N54 VanDerWaalsContact SG-N 3.45Å; N54-W71 HydrophobicContact CB-CE3 3.79Å; N54-W71 HydrophobicContact CB-CZ3 3.65Å; N54-W71 VanDerWaalsContact N-CZ3 3.35Å; N54-C75 HydrophobicContact CB-CB 3.81Å; N54-C75 PolarHBondContact ND2-O 3.36Å
55	C	89.8	Confident	87.2	Confident	62 Å²	62	70 Å²	70	42%	0.419	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.9	-171.9	65	0	0	0	0	114	C52 A57 H72	C52-C55 WeakPolarHBondContact CB-SG 3.17Å; C52-C55 VanDerWaalsContact SG-SG 3.64Å; C55-A57 PolarHBondContact O-N 2.9Å; C55-H72 VanDerWaalsContact SG-CE1 3.59Å; C55-H72 PolarHBondContact SG-ND1 3.29Å
56	K	87.6	Confident	87.1	Confident	162 Å²	162	69 Å²	69	70%	0.704	38%	0.377	S	S	*	.			trans	59.2	7.6	-177.1	-52.5	-173.6	-179.4	-171.8	0	115.4	C52	C52-K56 WeakPolarHBondContact O-CA 3.36Å; C52-K56 PolarHBondContact O-N 3.42Å
57	A	87.8	Confident	87	Confident	38 Å²	38	65.3 Å²	65.3	31%	0.314	36%	0.361	S	S	.	.			trans	-77.7	150.4	174.4	0	0	0	0	0	111.4	R51 C52 C55	R51-A57 WeakPolarHBondContact CA-O 3.24Å; C52-A57 PolarHBondContact N-O 2.84Å; C55-A57 PolarHBondContact O-N 2.9Å
58	P	89.1	Confident	86.8	Confident	38 Å²	38	69.2 Å²	69.2	25%	0.247	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-64.2	135	178.4	26.1	-33.6	0	0	0	111.3	A49 H72	A49-P58 HydrophobicContact CB-CB 3.91Å; P58-H72 PolarHBondContact O-NE2 3.31Å
59	I	88.7	Confident	86.8	Confident	14 Å²	14	67.2 Å²	67.2	7%	0.072	38%	0.381	C	S	.	.			trans	-98.4	105.9	177	-54.7	163.5	0	0	0	108.5	A50 C52 A63 K70 H72	A50-I59 PolarHBondContact O-N 3.41Å; C52-I59 HydrophobicContact CB-CD1 3.97Å; C52-I59 HydrophobicContact CB-CG1 4.01Å; I59-A63 HydrophobicContact CD1-CB 4.25Å; I59-A63 HydrophobicContact CG2-CB 3.61Å; I59-K70 VanDerWaalsContact CD1-C 3.43Å; I59-K70 HydrophobicContact CD1-CB 3.48Å; I59-K70 VanDerWaalsContact CD1-CB 3.48Å; I59-H72 WeakPolarHBondContact CG1-NE2 3.32Å
60	T	81.3	Confident	86.9	Confident	80 Å²	80	70.8 Å²	70.8	49%	0.491	39%	0.392	S	S	.	.			trans	-83.7	-30	-176.9	54.7	0	0	0	0	112.8	E45	E45-T60 HydrophobicContact CB-CG2 3.87Å; E45-T60 HydrophobicContact CG-CG2 3.7Å; E45-T60 WeakPolarHBondContact OE1-CB 3.36Å; E45-T60 WeakPolarHBondContact OE1-CG2 3.26Å
61	E	76.9	Confident	87.1	Confident	135 Å²	135	70.1 Å²	70.1	63%	0.631	38%	0.382	S	S	*	.	S	Bend	trans	-155.8	156.9	179.6	-153.1	-178.2	79.3	0	0	111.9	A63	E61-A63 PolarHBondContact O-N 3.2Å
62	N	78.9	Confident	87.1	Confident	91 Å²	91	64.1 Å²	64.1	49%	0.487	36%	0.361	S	S	.	.			trans	57.7	49.5	165.7	-81.5	-61.2	0	0	0	115.1	R73	N62-R73 PolarHBondContact O-NE 2.99Å; N62-R73 PolarHBondContact OD1-NH2 3.13Å
63	A	87.1	Confident	86.9	Confident	37 Å²	37	71.3 Å²	71.3	31%	0.306	39%	0.388	S	S	.	.			trans	-78.8	145.3	177.5	0	0	0	0	0	113.4	I59 E61 K70	I59-A63 HydrophobicContact CD1-CB 4.25Å; I59-A63 HydrophobicContact CG2-CB 3.61Å; E61-A63 PolarHBondContact O-N 3.2Å; A63-K70 HydrophobicContact CB-CB 4.17Å; A63-K70 HydrophobicContact CB-CD 4.04Å
64	I	88.4	Confident	87	Confident	46 Å²	46	76.7 Å²	76.7	24%	0.236	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.3	162.9	-63.4	173.3	0	0	0	107.6	A66 K70 W71 R73 F76	I64-A66 HydrophobicContact CG2-CB 4.19Å; I64-K70 CarbonylContact O-C 3.56Å; I64-K70 WeakPolarHBondContact O-CA 3.37Å; I64-W71 HydrophobicContact CB-CB 4.38Å; I64-W71 PolarHBondContact N-O 2.89Å; I64-W71 PolarHBondContact O-N 3.47Å; I64-R73 HydrophobicContact CD1-CB 4.37Å; I64-R73 HydrophobicContact CD1-CG 4.26Å; I64-R73 HydrophobicContact CG1-CG 4.26Å; I64-F76 HydrophobicContact CD1-CB 3.66Å; I64-F76 HydrophobicContact CD1-CD1 3.98Å; I64-F76 HydrophobicContact CD1-CG 4.01Å; I64-F76 HydrophobicContact CG2-CD1 4.14Å; I64-F76 HydrophobicContact CG2-CD2 4.25Å; I64-F76 HydrophobicContact CG2-CE1 4.37Å; I64-F76 HydrophobicContact CG2-CE2 4.48Å; I64-F76 HydrophobicContact CG2-CG 4.08Å
65	V	89.3	Confident	87.1	Confident	108 Å²	108	73.6 Å²	73.6	66%	0.655	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.1	173.5	-173.6	0	0	0	0	107.9	A69 K70	V65-A69 WeakPolarHBondContact CA-O 3.2Å; V65-K70 HydrophobicContact CG2-CD 4.47Å; V65-K70 HydrophobicContact CG2-CG 4.3Å
66	A	86.9	Confident	87.2	Confident	9 Å²	9	70.8 Å²	70.8	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	151.4	-178.5	0	0	0	0	0	109.4	I64 D68 A69 W71 F76 F90	I64-A66 HydrophobicContact CG2-CB 4.19Å; A66-D68 VanDerWaalsContact C-N 3.25Å; A66-D68 PolarHBondContact O-N 2.89Å; A66-A69 PolarHBondContact N-O 2.96Å; A66-A69 CarbonylContact O-C 3.56Å; A66-A69 PolarHBondContact O-N 3.39Å; A66-W71 PolarHBondContact O-NE1 3.35Å; A66-F76 HydrophobicContact CB-CD2 4.47Å; A66-F76 HydrophobicContact CB-CE2 3.58Å; A66-F76 HydrophobicContact CB-CZ 3.8Å; A66-F90 HydrophobicContact CB-CE1 4.44Å; A66-F90 HydrophobicContact CB-CE2 4.48Å; A66-F90 HydrophobicContact CB-CZ 3.79Å
67	L	85.4	Confident	87.4	Confident	39 Å²	39	67 Å²	67	20%	0.204	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	38.7	178	-52.5	176.1	0	0	0	113.2	A69 W71 V92	L67-A69 PolarHBondContact O-N 3.47Å; L67-W71 HydrophobicContact CB-CZ2 4.41Å; L67-W71 HydrophobicContact CD1-CZ2 4.03Å; L67-V92 HydrophobicContact CD2-CB 3.98Å; L67-V92 HydrophobicContact CD2-CG1 3.3Å; L67-V92 HydrophobicContact CD2-CG2 3.42Å; L67-V92 VanDerWaalsContact CD2-CG2 3.42Å
68	D	85.6	Confident	87.6	Confident	175 Å²	175	65.2 Å²	65.2	94%	0.936	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	14.4	-175.5	-152.6	-119.8	0	0	0	114.7	A66	A66-D68 VanDerWaalsContact C-N 3.25Å; A66-D68 PolarHBondContact O-N 2.89Å
69	A	87.9	Confident	87.6	Confident	31 Å²	31	66.4 Å²	66.4	26%	0.256	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163.6	-177.9	0	0	0	0	0	111.4	V65 A66 L67 W71	V65-A69 WeakPolarHBondContact CA-O 3.2Å; A66-A69 PolarHBondContact N-O 2.96Å; A66-A69 CarbonylContact O-C 3.56Å; A66-A69 PolarHBondContact O-N 3.39Å; L67-A69 PolarHBondContact O-N 3.47Å; A69-W71 HydrophobicContact CB-CZ2 4.26Å
70	K	90.7	Very high	87.7	Confident	98 Å²	98	71.5 Å²	71.5	43%	0.426	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	143.7	170.8	-60.7	-156	-171.7	-177.4	0	109.7	A50 C52 G53 I59 A63 I64 V65	A50-K70 HydrophobicContact CB-CB 4.27Å; A50-K70 HydrophobicContact CB-CD 3.66Å; A50-K70 HydrophobicContact CB-CG 4.15Å; C52-K70 CarbonylContact C-O 3.51Å; C52-K70 VanDerWaalsContact CA-O 3.27Å; C52-K70 WeakPolarHBondContact CA-O 3.24Å; G53-K70 PolarHBondContact N-O 3.46Å; I59-K70 VanDerWaalsContact CD1-C 3.43Å; I59-K70 HydrophobicContact CD1-CB 3.48Å; I59-K70 VanDerWaalsContact CD1-CB 3.48Å; A63-K70 HydrophobicContact CB-CB 4.17Å; A63-K70 HydrophobicContact CB-CD 4.04Å; I64-K70 CarbonylContact O-C 3.56Å; I64-K70 WeakPolarHBondContact O-CA 3.37Å; V65-K70 HydrophobicContact CG2-CD 4.47Å; V65-K70 HydrophobicContact CG2-CG 4.3Å
71	W	91.3	Very high	88.2	Confident	24 Å²	24	70.4 Å²	70.4	9%	0.091	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.8	-176.6	-54.3	78.1	0	0	0	110.1	G53 N54 I64 A66 L67 A69 F76	G53-W71 VanDerWaalsContact C-CZ3 3.47Å; N54-W71 HydrophobicContact CB-CE3 3.79Å; N54-W71 HydrophobicContact CB-CZ3 3.65Å; N54-W71 VanDerWaalsContact N-CZ3 3.35Å; I64-W71 HydrophobicContact CB-CB 4.38Å; I64-W71 PolarHBondContact N-O 2.89Å; I64-W71 PolarHBondContact O-N 3.47Å; A66-W71 PolarHBondContact O-NE1 3.35Å; L67-W71 HydrophobicContact CB-CZ2 4.41Å; L67-W71 HydrophobicContact CD1-CZ2 4.03Å; A69-W71 HydrophobicContact CB-CZ2 4.26Å; W71-F76 HydrophobicContact CB-CB 4.12Å; W71-F76 HydrophobicContact CB-CD2 4.05Å; W71-F76 HydrophobicContact CD2-CD2 4.08Å; W71-F76 AromaticContact CG-CD2 3.83Å; W71-F76 HydrophobicContact CG-CD2 3.83Å
72	H	90.8	Very high	88.8	Confident	39 Å²	39	70.2 Å²	70.2	18%	0.181	35%	0.35	C	S	.	.			trans	-66.3	148.5	164.2	-61.9	119.6	0	0	0	110.1	C52 C55 P58 I59 E74 C75 F76	C52-H72 WeakPolarHBondContact CB-ND1 3.29Å; C52-H72 PolarHBondContact SG-N 3.06Å; C55-H72 VanDerWaalsContact SG-CE1 3.59Å; C55-H72 PolarHBondContact SG-ND1 3.29Å; P58-H72 PolarHBondContact O-NE2 3.31Å; I59-H72 WeakPolarHBondContact CG1-NE2 3.32Å; H72-E74 HydrophobicContact CB-CG 3.9Å; H72-E74 PolarHBondContact O-N 2.92Å; H72-C75 HydrophobicContact CB-CB 3.82Å; H72-C75 WeakPolarHBondContact O-CA 3.42Å; H72-C75 WeakPolarHBondContact O-CB 3.48Å; H72-C75 PolarHBondContact O-N 3.26Å; H72-F76 PolarHBondContact O-N 3.37Å
73	R	87.7	Confident	89.2	Confident	155 Å²	155	69.7 Å²	69.7	59%	0.585	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.2	177.4	-61.4	-171.8	-179.8	-150.6	5.6	112.7	N62 I64	N62-R73 PolarHBondContact O-NE 2.99Å; N62-R73 PolarHBondContact OD1-NH2 3.13Å; I64-R73 HydrophobicContact CD1-CB 4.37Å; I64-R73 HydrophobicContact CD1-CG 4.26Å; I64-R73 HydrophobicContact CG1-CG 4.26Å
74	E	87.8	Confident	89.3	Confident	153 Å²	153	71.2 Å²	71.2	72%	0.715	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-25.7	174.7	59.4	-176	80.9	0	0	114.1	H72	H72-E74 HydrophobicContact CB-CG 3.9Å; H72-E74 PolarHBondContact O-N 2.92Å
75	C	90.2	Very high	89.3	Confident	11 Å²	11	69.5 Å²	69.5	7%	0.074	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-24.6	-179.6	-76.3	0	0	0	0	112.6	C52 N54 H72 K77	C52-C75 WeakPolarHBondContact SG-CB 3.34Å; C52-C75 VanDerWaalsContact SG-SG 3.68Å; N54-C75 HydrophobicContact CB-CB 3.81Å; N54-C75 PolarHBondContact ND2-O 3.36Å; H72-C75 HydrophobicContact CB-CB 3.82Å; H72-C75 WeakPolarHBondContact O-CA 3.42Å; H72-C75 WeakPolarHBondContact O-CB 3.48Å; H72-C75 PolarHBondContact O-N 3.26Å; C75-K77 PolarHBondContact O-N 3.3Å; C75-K77 VanDerWaalsContact O-N 3.07Å
76	F	91.1	Very high	88.9	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.018	36%	0.357	C	S	.	.			trans	-81.2	81.9	178.3	-163.1	-106	0	0	0	110.4	I64 A66 W71 H72 I85 F90 P97	I64-F76 HydrophobicContact CD1-CB 3.66Å; I64-F76 HydrophobicContact CD1-CD1 3.98Å; I64-F76 HydrophobicContact CD1-CG 4.01Å; I64-F76 HydrophobicContact CG2-CD1 4.14Å; I64-F76 HydrophobicContact CG2-CD2 4.25Å; I64-F76 HydrophobicContact CG2-CE1 4.37Å; I64-F76 HydrophobicContact CG2-CE2 4.48Å; I64-F76 HydrophobicContact CG2-CG 4.08Å; A66-F76 HydrophobicContact CB-CD2 4.47Å; A66-F76 HydrophobicContact CB-CE2 3.58Å; A66-F76 HydrophobicContact CB-CZ 3.8Å; W71-F76 HydrophobicContact CB-CB 4.12Å; W71-F76 HydrophobicContact CB-CD2 4.05Å; W71-F76 HydrophobicContact CD2-CD2 4.08Å; W71-F76 AromaticContact CG-CD2 3.83Å; W71-F76 HydrophobicContact CG-CD2 3.83Å; H72-F76 PolarHBondContact O-N 3.37Å; F76-I85 HydrophobicContact CD1-CB 3.88Å; F76-I85 HydrophobicContact CD1-CG2 4.31Å; F76-I85 HydrophobicContact CE1-CB 3.97Å; F76-I85 HydrophobicContact CE1-CD1 4.39Å; F76-I85 HydrophobicContact CE1-CG2 3.96Å; F76-I85 PolarHBondContact O-N 2.99Å; F76-F90 AromaticContact CE1-CD1 3.98Å; F76-F90 HydrophobicContact CE1-CD1 3.98Å; F76-F90 HydrophobicContact CE1-CE1 4.21Å; F76-F90 HydrophobicContact CE1-CG 4.18Å; F76-F90 AromaticContact CZ-CD1 3.97Å; F76-F90 HydrophobicContact CZ-CD1 3.97Å; F76-F90 AromaticContact CZ-CD2 3.95Å; F76-F90 HydrophobicContact CZ-CD2 3.95Å; F76-F90 AromaticContact CZ-CE1 3.89Å; F76-F90 HydrophobicContact CZ-CE1 3.89Å; F76-F90 AromaticContact CZ-CE2 3.86Å; F76-F90 HydrophobicContact CZ-CE2 3.86Å; F76-F90 HydrophobicContact CZ-CG 4.02Å; F76-F90 AromaticContact CZ-CZ 3.84Å; F76-F90 HydrophobicContact CZ-CZ 3.84Å; F76-P97 HydrophobicContact CD2-CB 4.42Å; F76-P97 HydrophobicContact CD2-CG 4.12Å; F76-P97 HydrophobicContact CE1-CB 4.33Å; F76-P97 HydrophobicContact CE2-CB 3.69Å; F76-P97 HydrophobicContact CE2-CG 3.81Å; F76-P97 HydrophobicContact CZ-CB 3.64Å; F76-P97 HydrophobicContact CZ-CG 4.24Å
77	K	91.5	Very high	88	Confident	83 Å²	83	73.1 Å²	73.1	36%	0.361	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-129.5	151.2	-174	64	-167.5	171.9	-165.9	0	111.7	C75 K79 T83	C75-K77 PolarHBondContact O-N 3.3Å; C75-K77 VanDerWaalsContact O-N 3.07Å; K77-K79 PolarHBondContact O-N 3.25Å; K77-T83 CarbonylContact C-O 3.51Å; K77-T83 VanDerWaalsContact CA-O 3.3Å; K77-T83 WeakPolarHBondContact CA-O 3.31Å; K77-T83 WeakPolarHBondContact CB-O 3.44Å
78	C	91.9	Very high	87.4	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	41%	0.41	C	S	.	.			trans	-57.9	131.3	-178.2	178.3	0	0	0	0	111.3	K80 C81 K82 T83 I85 P97 C99	C78-K80 PolarHBondContact O-N 3.14Å; C78-K80 PolarHBondContact SG-N 3.49Å; C78-C81 WeakPolarHBondContact CB-SG 3.45Å; C78-K82 WeakPolarHBondContact O-CA 3.47Å; C78-K82 PolarHBondContact O-N 2.94Å; C78-T83 PolarHBondContact N-O 3.13Å; C78-I85 HydrophobicContact CB-CD1 4.16Å; C78-I85 HydrophobicContact CB-CG1 4.21Å; C78-P97 CarbonylContact C-O 3.59Å; C78-P97 WeakPolarHBondContact CA-O 3.21Å; C78-C99 HydrophobicContact CB-CB 4.13Å; C78-C99 PolarHBondContact SG-N 2.94Å; C78-C99 VanDerWaalsContact SG-N 3.37Å
79	K	89.8	Confident	87.3	Confident	63 Å²	63	73 Å²	73	27%	0.274	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-42.2	175.5	-177.4	-177.8	-174.7	172	0	112.3	K77 K82 D94 Q96 P97 L98	K77-K79 PolarHBondContact O-N 3.25Å; K79-K82 WeakPolarHBondContact O-CE 3.43Å; K79-K82 PolarHBondContact O-NZ 2.82Å; K79-D94 IonicContact NZ-OD1 3.02Å; K79-D94 PolarHBondContact NZ-OD1 2.95Å; K79-Q96 HydrophobicContact CB-CB 4.17Å; K79-Q96 HydrophobicContact CD-CB 3.83Å; K79-Q96 VanDerWaalsContact CD-CD 3.46Å; K79-Q96 HydrophobicContact CD-CG 4.25Å; K79-Q96 VanDerWaalsContact CE-CD 3.42Å; K79-Q96 HydrophobicContact CG-CB 4.34Å; K79-P97 PolarHBondContact N-O 3.2Å; K79-L98 HydrophobicContact CB-CD1 4.1Å; K79-L98 HydrophobicContact CB-CG 4.38Å
80	K	90.6	Very high	87.3	Confident	121 Å²	121	75 Å²	75	53%	0.526	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-63.6	-174.8	-69.7	-178.1	-179.5	172.3	0	112.5	C78 L98 C102	C78-K80 PolarHBondContact O-N 3.14Å; C78-K80 PolarHBondContact SG-N 3.49Å; K80-L98 HydrophobicContact CD-CD2 3.93Å; K80-L98 HydrophobicContact CG-CD2 4.21Å; K80-C102 HydrophobicContact CB-CB 4.07Å; K80-C102 HydrophobicContact CD-CB 3.97Å; K80-C102 WeakPolarHBondContact CD-O 3.39Å; K80-C102 PolarHBondContact NZ-O 3.26Å
81	C	91.9	Very high	87.3	Confident	57 Å²	57	72.8 Å²	72.8	39%	0.385	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.1	-174.8	65	0	0	0	0	114.9	C78 T83 C99	C78-C81 WeakPolarHBondContact CB-SG 3.45Å; C81-T83 PolarHBondContact O-N 2.83Å; C81-T83 PolarHBondContact SG-OG1 2.83Å; C81-C99 VanDerWaalsContact SG-SG 3.63Å
82	K	89.3	Confident	87.3	Confident	131 Å²	131	75 Å²	75	57%	0.57	41%	0.406	S	S	*	.			trans	58.7	10.2	-176.7	-52.8	-56.6	-171.9	-162.7	0	115.1	C78 K79	C78-K82 WeakPolarHBondContact O-CA 3.47Å; C78-K82 PolarHBondContact O-N 2.94Å; K79-K82 WeakPolarHBondContact O-CE 3.43Å; K79-K82 PolarHBondContact O-NZ 2.82Å
83	T	88.4	Confident	87.3	Confident	80 Å²	80	77.7 Å²	77.7	49%	0.491	42%	0.418	S	S	.	.			trans	-74.6	134.8	174.9	-52.3	0	0	0	0	110.6	K77 C78 C81 I85	K77-T83 CarbonylContact C-O 3.51Å; K77-T83 VanDerWaalsContact CA-O 3.3Å; K77-T83 WeakPolarHBondContact CA-O 3.31Å; K77-T83 WeakPolarHBondContact CB-O 3.44Å; C78-T83 PolarHBondContact N-O 3.13Å; C81-T83 PolarHBondContact O-N 2.83Å; C81-T83 PolarHBondContact SG-OG1 2.83Å; T83-I85 PolarHBondContact O-N 3.42Å
84	P	88.3	Confident	87.2	Confident	68 Å²	68	76 Å²	76	44%	0.442	42%	0.421	S	S	.	.	B	Isolated β-bridge	trans	-57.6	130.6	174.4	23.7	-33.3	0	0	0	110.5	T86	P84-T86 PolarHBondContact O-N 3.27Å
85	I	88.7	Confident	87	Confident	10 Å²	10	74.6 Å²	74.6	5%	0.051	42%	0.418	C	S	.	.			trans	-87.8	95.7	179.1	-62.4	167.5	0	0	0	106.7	F76 C78 T83 F90 P97 C99	F76-I85 HydrophobicContact CD1-CB 3.88Å; F76-I85 HydrophobicContact CD1-CG2 4.31Å; F76-I85 HydrophobicContact CE1-CB 3.97Å; F76-I85 HydrophobicContact CE1-CD1 4.39Å; F76-I85 HydrophobicContact CE1-CG2 3.96Å; F76-I85 PolarHBondContact O-N 2.99Å; C78-I85 HydrophobicContact CB-CD1 4.16Å; C78-I85 HydrophobicContact CB-CG1 4.21Å; T83-I85 PolarHBondContact O-N 3.42Å; I85-F90 HydrophobicContact CD1-CB 4.39Å; I85-F90 HydrophobicContact CG2-CB 3.79Å; I85-P97 HydrophobicContact CD1-CB 3.79Å; I85-P97 HydrophobicContact CD1-CG 4.38Å; I85-C99 HydrophobicContact CG1-CB 4.23Å
86	T	80.2	Confident	86.8	Confident	135 Å²	135	77.2 Å²	77.2	83%	0.828	43%	0.43	S	S	*	.			trans	-91.9	-9.6	173.6	53.1	0	0	0	0	112.6	P84	P84-T86 PolarHBondContact O-N 3.27Å
87	A	69	Low	86.8	Confident	59 Å²	59	77.4 Å²	77.4	49%	0.488	43%	0.431	S	S	.	.	S	Bend	trans	-70.4	143.1	179.5	0	0	0	0	0	111.3	S89	A87-S89 PolarHBondContact O-N 3.16Å
88	S	73.4	Confident	86.8	Confident	130 Å²	130	73.4 Å²	73.4	91%	0.909	41%	0.414	S	S	*	.	S	Bend	trans	-63.7	-10.6	174.7	-40.6	0	0	0	0	113.7
89	S	81.9	Confident	86.8	Confident	82 Å²	82	74.7 Å²	74.7	57%	0.573	42%	0.422	S	S	*	.			trans	-130.5	129.1	-178.6	4.3	0	0	0	0	110.1	A87	A87-S89 PolarHBondContact O-N 3.16Å
90	F	89.6	Confident	86.7	Confident	73 Å²	73	79 Å²	79	32%	0.32	44%	0.441	S	S	.	.			trans	-141.1	161.3	178.6	62.3	-89.7	0	0	0	109.6	A66 F76 I85 V92 P97	A66-F90 HydrophobicContact CB-CE1 4.44Å; A66-F90 HydrophobicContact CB-CE2 4.48Å; A66-F90 HydrophobicContact CB-CZ 3.79Å; F76-F90 AromaticContact CE1-CD1 3.98Å; F76-F90 HydrophobicContact CE1-CD1 3.98Å; F76-F90 HydrophobicContact CE1-CE1 4.21Å; F76-F90 HydrophobicContact CE1-CG 4.18Å; F76-F90 AromaticContact CZ-CD1 3.97Å; F76-F90 HydrophobicContact CZ-CD1 3.97Å; F76-F90 AromaticContact CZ-CD2 3.95Å; F76-F90 HydrophobicContact CZ-CD2 3.95Å; F76-F90 AromaticContact CZ-CE1 3.89Å; F76-F90 HydrophobicContact CZ-CE1 3.89Å; F76-F90 AromaticContact CZ-CE2 3.86Å; F76-F90 HydrophobicContact CZ-CE2 3.86Å; F76-F90 HydrophobicContact CZ-CG 4.02Å; F76-F90 AromaticContact CZ-CZ 3.84Å; F76-F90 HydrophobicContact CZ-CZ 3.84Å; I85-F90 HydrophobicContact CD1-CB 4.39Å; I85-F90 HydrophobicContact CG2-CB 3.79Å; F90-V92 HydrophobicContact CD2-CG2 3.89Å; F90-V92 HydrophobicContact CE2-CG2 3.56Å; F90-P97 HydrophobicContact CD2-CB 4.29Å
91	V	90.9	Very high	86.6	Confident	51 Å²	51	77.2 Å²	77.2	31%	0.309	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.5	176.5	-175.1	0	0	0	0	108.7	P97 L98	V91-P97 CarbonylContact O-C 3.54Å; V91-L98 HydrophobicContact CB-CB 4.42Å; V91-L98 PolarHBondContact N-O 2.8Å; V91-L98 PolarHBondContact O-N 3.16Å
92	V	90.2	Very high	86.5	Confident	71 Å²	71	75.8 Å²	75.8	43%	0.43	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.1	177.8	-178.6	0	0	0	0	108.3	L67 F90	L67-V92 HydrophobicContact CD2-CB 3.98Å; L67-V92 HydrophobicContact CD2-CG1 3.3Å; L67-V92 HydrophobicContact CD2-CG2 3.42Å; L67-V92 VanDerWaalsContact CD2-CG2 3.42Å; F90-V92 HydrophobicContact CD2-CG2 3.89Å; F90-V92 HydrophobicContact CE2-CG2 3.56Å
93	E	89.9	Confident	86.4	Confident	94 Å²	94	72.2 Å²	72.2	44%	0.439	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.1	175.7	-169.9	-178.3	82.4	0	0	107.9	N95 Q96 L98	E93-N95 VanDerWaalsContact C-N 3.33Å; E93-N95 PolarHBondContact O-N 3.03Å; E93-Q96 PolarHBondContact N-O 3.39Å; E93-Q96 WeakPolarHBondContact O-CB 3.4Å; E93-Q96 PolarHBondContact O-N 3.46Å; E93-L98 HydrophobicContact CB-CD1 3.61Å; E93-L98 HydrophobicContact CB-CD2 4.34Å
94	D	86.5	Confident	86	Confident	120 Å²	120	77.6 Å²	77.6	64%	0.642	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	47.2	178.6	-172.5	-121.9	0	0	0	113.1	K79 Q96	K79-D94 IonicContact NZ-OD1 3.02Å; K79-D94 PolarHBondContact NZ-OD1 2.95Å; D94-Q96 PolarHBondContact O-N 2.95Å; D94-Q96 PolarHBondContact O-NE2 3.35Å; D94-Q96 VanDerWaalsContact O-NE2 3.12Å; D94-Q96 PolarHBondContact OD1-NE2 2.88Å
95	N	83.7	Confident	85.9	Confident	123 Å²	123	78.1 Å²	78.1	66%	0.658	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	26	-177.5	-148	73	0	0	0	114.4	E93	E93-N95 VanDerWaalsContact C-N 3.33Å; E93-N95 PolarHBondContact O-N 3.03Å
96	Q	86.6	Confident	85.7	Confident	66 Å²	66	81.6 Å²	81.6	31%	0.308	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.9	-178.4	-75.5	165.7	86.8	0	0	110.7	K79 E93 D94 L98	K79-Q96 HydrophobicContact CB-CB 4.17Å; K79-Q96 HydrophobicContact CD-CB 3.83Å; K79-Q96 VanDerWaalsContact CD-CD 3.46Å; K79-Q96 HydrophobicContact CD-CG 4.25Å; K79-Q96 VanDerWaalsContact CE-CD 3.42Å; K79-Q96 HydrophobicContact CG-CB 4.34Å; E93-Q96 PolarHBondContact N-O 3.39Å; E93-Q96 WeakPolarHBondContact O-CB 3.4Å; E93-Q96 PolarHBondContact O-N 3.46Å; D94-Q96 PolarHBondContact O-N 2.95Å; D94-Q96 PolarHBondContact O-NE2 3.35Å; D94-Q96 VanDerWaalsContact O-NE2 3.12Å; D94-Q96 PolarHBondContact OD1-NE2 2.88Å; Q96-L98 WeakPolarHBondContact O-CD1 3.23Å
97	P	90	Very high	86.1	Confident	8 Å²	8	78.7 Å²	78.7	5%	0.052	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.9	-178.3	33.9	-35.2	0	0	0	110.9	F76 C78 K79 I85 F90 V91	F76-P97 HydrophobicContact CD2-CB 4.42Å; F76-P97 HydrophobicContact CD2-CG 4.12Å; F76-P97 HydrophobicContact CE1-CB 4.33Å; F76-P97 HydrophobicContact CE2-CB 3.69Å; F76-P97 HydrophobicContact CE2-CG 3.81Å; F76-P97 HydrophobicContact CZ-CB 3.64Å; F76-P97 HydrophobicContact CZ-CG 4.24Å; C78-P97 CarbonylContact C-O 3.59Å; C78-P97 WeakPolarHBondContact CA-O 3.21Å; K79-P97 PolarHBondContact N-O 3.2Å; I85-P97 HydrophobicContact CD1-CB 3.79Å; I85-P97 HydrophobicContact CD1-CG 4.38Å; F90-P97 HydrophobicContact CD2-CB 4.29Å; V91-P97 CarbonylContact O-C 3.54Å
98	L	91.3	Very high	87.1	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.9	174.1	-77.7	78.4	0	0	0	109.4	K79 K80 V91 E93 Q96	K79-L98 HydrophobicContact CB-CD1 4.1Å; K79-L98 HydrophobicContact CB-CG 4.38Å; K80-L98 HydrophobicContact CD-CD2 3.93Å; K80-L98 HydrophobicContact CG-CD2 4.21Å; V91-L98 HydrophobicContact CB-CB 4.42Å; V91-L98 PolarHBondContact N-O 2.8Å; V91-L98 PolarHBondContact O-N 3.16Å; E93-L98 HydrophobicContact CB-CD1 3.61Å; E93-L98 HydrophobicContact CB-CD2 4.34Å; Q96-L98 WeakPolarHBondContact O-CD1 3.23Å
99	C	91.7	Very high	87.9	Confident	26 Å²	26	76.7 Å²	76.7	18%	0.176	43%	0.43	C	S	.	.			trans	-72.4	152.1	169.4	65.8	0	0	0	0	109.8	C78 C81 I85 A101 C102 S103	C78-C99 HydrophobicContact CB-CB 4.13Å; C78-C99 PolarHBondContact SG-N 2.94Å; C78-C99 VanDerWaalsContact SG-N 3.37Å; C81-C99 VanDerWaalsContact SG-SG 3.63Å; I85-C99 HydrophobicContact CG1-CB 4.23Å; C99-A101 PolarHBondContact O-N 3.11Å; C99-C102 PolarHBondContact O-N 2.89Å; C99-C102 PolarHBondContact SG-SG 3.04Å; C99-S103 PolarHBondContact O-N 2.85Å
100	K	88.3	Confident	88.3	Confident	153 Å²	153	76.3 Å²	76.3	67%	0.665	42%	0.42	S	S	*	.	H	α-helix	trans	-53.5	-39.7	179.3	-167.1	173.3	-178.2	177.8	0	112.2	C102 S103 D104	K100-C102 PolarHBondContact O-N 3.25Å; K100-S103 PolarHBondContact O-N 3.24Å; K100-S103 VanDerWaalsContact O-N 3.15Å; K100-D104 PolarHBondContact O-N 3.31Å
101	A	88	Confident	88.2	Confident	84 Å²	84	76.6 Å²	76.6	69%	0.694	43%	0.427	S	S	*	.	H	α-helix	trans	-65.9	-15.9	178.5	0	0	0	0	0	115.5	C99	C99-A101 PolarHBondContact O-N 3.11Å
102	C	89.7	Confident	88	Confident	28 Å²	28	78.5 Å²	78.5	19%	0.189	44%	0.436	C	S	.	.	H	α-helix	trans	-105.4	-5.8	176.7	-75	0	0	0	0	112.9	K80 C99 K100	K80-C102 HydrophobicContact CB-CB 4.07Å; K80-C102 HydrophobicContact CD-CB 3.97Å; K80-C102 WeakPolarHBondContact CD-O 3.39Å; K80-C102 PolarHBondContact NZ-O 3.26Å; C99-C102 PolarHBondContact O-N 2.89Å; C99-C102 PolarHBondContact SG-SG 3.04Å; K100-C102 PolarHBondContact O-N 3.25Å
103	S	87.5	Confident	87.8	Confident	55 Å²	55	79.2 Å²	79.2	39%	0.385	44%	0.437	S	S	.	.	H	α-helix	trans	-100.7	-27	175.7	-177.7	0	0	0	0	112.2	C99 K100	C99-S103 PolarHBondContact O-N 2.85Å; K100-S103 PolarHBondContact O-N 3.24Å; K100-S103 VanDerWaalsContact O-N 3.15Å
104	D	80.8	Confident	87.6	Confident	193 Å²	193	77.8 Å²	77.8	100%	1.032	44%	0.436	S	S	*	.			trans	-74.6	0	165.2	-161.1	-110.8	0	0	0	109.8	K100	K100-D104 PolarHBondContact O-N 3.31Å

Retrieved 104 of 104 residues in 79.7 ms (Link to these results)

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