X5J565_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J565, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J565_MOUSE|X5J565
GRLSEAWRVPETSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYADTVKGRFTISRDNAKNTLFLQMTSLRSEDTAMYYCARRG
					

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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	G	49.5	Very low	66.3	Low	127 Å²	127	147.4 Å²	147.4	100%	1.309	78%	0.777	S	S	*	*				0	125.9	0	0	0	0	0	0	108	L3	G1-L3 PolarHBondContact O-N 3.38Å
2	R	55.5	Low	68.5	Low	252 Å²	252	138.3 Å²	138.3	95%	0.951	73%	0.732	S	S	*	*			trans	-73.1	114.9	177.8	-160.7	175.4	-152.4	166.2	5.1	107.2	S4	R2-S4 PolarHBondContact O-N 3Å
3	L	54.9	Low	70.6	Confident	166 Å²	166	133.5 Å²	133.5	87%	0.869	72%	0.716	S	S	*	*			trans	-62.9	117.6	168.1	-63.5	171.7	0	0	0	106.3	G1 E5	G1-L3 PolarHBondContact O-N 3.38Å; L3-E5 PolarHBondContact O-N 3.13Å
4	S	63.8	Low	72.4	Confident	108 Å²	108	125.4 Å²	125.4	76%	0.755	67%	0.674	S	S	*	*			trans	-73.8	120	168.2	50.6	0	0	0	0	107.6	R2 A6	R2-S4 PolarHBondContact O-N 3Å; S4-A6 PolarHBondContact O-N 3.06Å
5	E	61.5	Low	74	Confident	199 Å²	199	122.3 Å²	122.3	93%	0.93	67%	0.673	S	S	*	*			trans	-58.3	111.2	168.4	-78.2	165.6	117.8	0	0	108.8	L3 W7	L3-E5 PolarHBondContact O-N 3.13Å; E5-W7 PolarHBondContact O-N 3.02Å
6	A	60.9	Low	75	Confident	99 Å²	99	115.8 Å²	115.8	82%	0.818	64%	0.641	S	S	*	*			trans	-84.7	100.1	173.4	0	0	0	0	0	108.2	S4	S4-A6 PolarHBondContact O-N 3.06Å
7	W	62.3	Low	76	Confident	225 Å²	225	115.3 Å²	115.3	85%	0.852	65%	0.647	S	S	*	*			trans	-70.8	131.8	168.2	179.3	-98.8	0	0	0	109.7	E5 V9	E5-W7 PolarHBondContact O-N 3.02Å; W7-V9 PolarHBondContact O-N 3.26Å
8	R	74.6	Confident	76.8	Confident	224 Å²	224	113.6 Å²	113.6	85%	0.845	66%	0.66	S	S	*	*			trans	-74.8	107	175.5	-168.6	-176.9	-147.4	100.4	2	109.2
9	V	73.1	Confident	77.5	Confident	54 Å²	54	110.3 Å²	110.3	33%	0.327	64%	0.637	S	S	.	*			trans	-74.9	128.3	171.7	-177	0	0	0	0	109.1	W7 E11 Q74 T76	W7-V9 PolarHBondContact O-N 3.26Å; V9-E11 PolarHBondContact O-N 2.79Å; V9-Q74 HydrophobicContact CG1-CG 3.59Å; V9-T76 HydrophobicContact CG1-CG2 3.78Å
10	P	83.1	Confident	78.2	Confident	57 Å²	57	108.8 Å²	108.8	37%	0.37	63%	0.629	S	S	.	*			trans	-60.4	135.4	173.7	-23.7	34.6	0	0	0	111.9	M75 L78	P10-M75 PolarHBondContact O-N 3.12Å; P10-L78 HydrophobicContact CB-CD1 4.19Å; P10-L78 HydrophobicContact CG-CD1 4.13Å
11	E	89.8	Confident	78.9	Confident	110 Å²	110	103.7 Å²	103.7	51%	0.514	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.4	139.5	176.4	-178.9	178.3	-116	0	0	108.5	V9 F72 L73	V9-E11 PolarHBondContact O-N 2.79Å; E11-F72 HydrophobicContact CG-CB 4.4Å; E11-F72 HydrophobicContact CG-CD1 4.39Å; E11-L73 WeakPolarHBondContact CA-O 3.26Å
12	T	93.2	Very high	80.9	Confident	39 Å²	39	99.9 Å²	99.9	24%	0.239	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	145	168.9	-174.3	0	0	0	0	109.7	W28 F72 L73 M75	T12-W28 HydrophobicContact CG2-CH2 3.71Å; T12-W28 HydrophobicContact CG2-CZ2 3.99Å; T12-W28 HydrophobicContact CG2-CZ3 4.05Å; T12-F72 CarbonylContact O-C 3.59Å; T12-F72 WeakPolarHBondContact O-CA 3.49Å; T12-L73 HydrophobicContact CG2-CB 3.66Å; T12-L73 HydrophobicContact CG2-CD2 4.21Å; T12-L73 HydrophobicContact CG2-CG 4.42Å; T12-L73 PolarHBondContact N-O 3.5Å; T12-L73 PolarHBondContact O-N 2.83Å; T12-M75 HydrophobicContact CG2-CE 3.83Å
13	S	96.2	Very high	82.8	Confident	76 Å²	76	92.9 Å²	92.9	53%	0.531	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.6	-178.3	65.9	0	0	0	0	111.5	L71	S13-L71 CarbonylContact C-O 3.5Å; S13-L71 VanDerWaalsContact CA-O 3.24Å; S13-L71 WeakPolarHBondContact CA-O 3.46Å
14	C	95.6	Very high	84.7	Confident	19 Å²	19	88.6 Å²	88.6	13%	0.128	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	119.3	174.9	157.2	0	0	0	0	109.5	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 4.15Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.29Å; C14-L71 HydrophobicContact CB-CB 4.44Å; C14-L71 PolarHBondContact N-O 2.83Å; C14-L71 PolarHBondContact O-N 2.82Å; C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.48Å
15	A	95.6	Very high	86.2	Confident	80 Å²	80	83.8 Å²	83.8	66%	0.661	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.6	171.5	0	0	0	0	0	109.7
16	A	90.9	Very high	87.9	Confident	18 Å²	18	74.5 Å²	74.5	15%	0.149	43%	0.432	C	S	.	.			trans	-92	145.7	176.7	0	0	0	0	0	111.4	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 4.36Å; A16-F19 HydrophobicContact CB-CZ 3.56Å; A16-F21 HydrophobicContact CB-CD2 3.38Å; A16-F21 HydrophobicContact CB-CE2 3.83Å; A16-F21 HydrophobicContact CB-CG 4.34Å; A16-N69 PolarHBondContact N-O 2.91Å
17	S	91.6	Very high	89.7	Confident	107 Å²	107	71.9 Å²	71.9	75%	0.748	40%	0.402	S	S	*	.			trans	-139.4	157.8	174.9	63.6	0	0	0	0	110.7	F19	S17-F19 VanDerWaalsContact O-CD1 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.23Å
18	G	91.2	Very high	91.4	Very high	85 Å²	85	61.3 Å²	61.3	88%	0.876	36%	0.362	S	S	*	.	S	Bend	trans	81.1	9.5	176.3	0	0	0	0	0	115.9
19	F	89	Confident	92.4	Very high	51 Å²	51	52 Å²	52	22%	0.224	33%	0.33	C	S	.	.	S	Bend	trans	-158.7	162.5	171.9	62.8	-83.1	0	0	0	111.8	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 4.36Å; A16-F19 HydrophobicContact CB-CZ 3.56Å; S17-F19 VanDerWaalsContact O-CD1 3.32Å; S17-F19 WeakPolarHBondContact O-CD1 3.23Å; F19-F21 HydrophobicContact CE2-CB 4.36Å; F19-F21 HydrophobicContact CE2-CD2 4.02Å; F19-F21 HydrophobicContact CZ-CD2 4.17Å; F19-F21 PolarHBondContact O-N 3.07Å; F19-F21 VanDerWaalsContact O-N 3.11Å; F19-Y24 HydrophobicContact CB-CE2 4.3Å; F19-Y24 AromaticContact CD2-CD2 3.54Å; F19-Y24 HydrophobicContact CD2-CD2 3.54Å; F19-Y24 AromaticContact CD2-CE2 3.86Å; F19-Y24 HydrophobicContact CD2-CE2 3.86Å; F19-Y24 HydrophobicContact CD2-CG 4.38Å; F19-Y24 HydrophobicContact CE2-CD2 4.01Å; F19-Y24 HydrophobicContact CE2-CG 4.49Å; F19-Y24 HydrophobicContact CG-CE2 4.48Å; F19-M26 HydrophobicContact CE2-SD 4.32Å; F19-M26 HydrophobicContact CZ-CE 4.35Å; F19-M26 HydrophobicContact CZ-SD 4.43Å; F19-R90 HydrophobicContact CE2-CB 4.32Å; F19-R90 HydrophobicContact CZ-CB 4.18Å
20	T	91.3	Very high	93.5	Very high	80 Å²	80	49.9 Å²	49.9	49%	0.491	32%	0.316	S	S	.	.			trans	-72.7	98.4	172.3	-52.2	0	0	0	0	109.6	S22 D23 Y24	T20-S22 WeakPolarHBondContact CG2-OG 3.47Å; T20-S22 PolarHBondContact O-N 3.23Å; T20-D23 WeakPolarHBondContact CB-OD2 3.43Å; T20-D23 HydrophobicContact CG2-CB 4.5Å; T20-D23 VanDerWaalsContact CG2-CG 3.49Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.14Å; T20-D23 VanDerWaalsContact CG2-OD2 3.26Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.44Å; T20-D23 PolarHBondContact O-N 3.16Å; T20-D23 VanDerWaalsContact O-N 3.07Å; T20-Y24 WeakPolarHBondContact O-CD2 3.42Å
21	F	92.4	Very high	94.1	Very high	1 Å²	1	51 Å²	51	0%	0.004	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-57.4	-35.1	-172.9	-176.3	-103.4	0	0	0	113.6	A16 F19 D23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CD2 3.38Å; A16-F21 HydrophobicContact CB-CE2 3.83Å; A16-F21 HydrophobicContact CB-CG 4.34Å; F19-F21 HydrophobicContact CE2-CB 4.36Å; F19-F21 HydrophobicContact CE2-CD2 4.02Å; F19-F21 HydrophobicContact CZ-CD2 4.17Å; F19-F21 PolarHBondContact O-N 3.07Å; F19-F21 VanDerWaalsContact O-N 3.11Å; F21-D23 PolarHBondContact O-N 3.11Å; F21-Y24 PolarHBondContact O-N 3.18Å; F21-M26 HydrophobicContact CD2-CE 4.3Å; F21-M26 HydrophobicContact CD2-CG 4.35Å; F21-M26 HydrophobicContact CD2-SD 4.03Å; F21-M26 HydrophobicContact CE2-CE 3.72Å; F21-M26 HydrophobicContact CE2-CG 3.66Å; F21-M26 HydrophobicContact CE2-SD 3.74Å; F21-M26 HydrophobicContact CZ-CG 3.77Å; F21-M26 HydrophobicContact CZ-SD 4.45Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 VanDerWaalsContact CE1-NH2 3.35Å; F21-R64 PolarHBondContact O-NH2 2.89Å; F21-N66 WeakPolarHBondContact CD1-OD1 2.95Å; F21-N69 HydrophobicContact CB-CB 3.93Å; F21-N69 VanDerWaalsContact CB-OD1 3.22Å; F21-N69 WeakPolarHBondContact CB-OD1 3.3Å; F21-N69 HydrophobicContact CG-CB 4.25Å; F21-L71 HydrophobicContact CE2-CB 4.45Å; F21-L71 HydrophobicContact CZ-CB 3.97Å; F21-L71 HydrophobicContact CZ-CD1 4.33Å
22	S	93.4	Very high	94.3	Very high	47 Å²	47	46.6 Å²	46.6	33%	0.329	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-62.8	-21.5	178.7	54.7	0	0	0	0	114.2	T20 Y24 S45	T20-S22 WeakPolarHBondContact CG2-OG 3.47Å; T20-S22 PolarHBondContact O-N 3.23Å; S22-Y24 VanDerWaalsContact C-N 3.31Å; S22-S45 WeakPolarHBondContact O-CB 3.43Å
23	D	93.8	Very high	94.1	Very high	105 Å²	105	51 Å²	51	56%	0.561	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-84.1	-14.2	-173.4	-60.2	-9.2	0	0	0	111.9	T20 F21	T20-D23 WeakPolarHBondContact CB-OD2 3.43Å; T20-D23 HydrophobicContact CG2-CB 4.5Å; T20-D23 VanDerWaalsContact CG2-CG 3.49Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.14Å; T20-D23 VanDerWaalsContact CG2-OD2 3.26Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.44Å; T20-D23 PolarHBondContact O-N 3.16Å; T20-D23 VanDerWaalsContact O-N 3.07Å; F21-D23 PolarHBondContact O-N 3.11Å
24	Y	94.8	Very high	93.8	Very high	77 Å²	77	56.5 Å²	56.5	30%	0.302	35%	0.346	S	S	.	.	S	Bend	trans	-114.2	143.4	-173.6	-60.5	-89.9	0	0	0	112.1	F19 T20 F21 S22 R64 R91	F19-Y24 HydrophobicContact CB-CE2 4.3Å; F19-Y24 AromaticContact CD2-CD2 3.54Å; F19-Y24 HydrophobicContact CD2-CD2 3.54Å; F19-Y24 AromaticContact CD2-CE2 3.86Å; F19-Y24 HydrophobicContact CD2-CE2 3.86Å; F19-Y24 HydrophobicContact CD2-CG 4.38Å; F19-Y24 HydrophobicContact CE2-CD2 4.01Å; F19-Y24 HydrophobicContact CE2-CG 4.49Å; F19-Y24 HydrophobicContact CG-CE2 4.48Å; T20-Y24 WeakPolarHBondContact O-CD2 3.42Å; F21-Y24 PolarHBondContact O-N 3.18Å; S22-Y24 VanDerWaalsContact C-N 3.31Å; Y24-R64 PolarHBondContact O-NH1 3.05Å; Y24-R91 WeakPolarHBondContact CD1-O 3.31Å
25	G	96.2	Very high	93.5	Very high	7 Å²	7	61 Å²	61	7%	0.072	36%	0.363	C	S	.	.			trans	-70.5	147.5	158.6	0	0	0	0	0	110	I43 R91	G25-I43 CarbonylContact C-O 3.55Å; G25-I43 VanDerWaalsContact CA-O 3.3Å; G25-I43 WeakPolarHBondContact CA-O 3.29Å; G25-R91 WeakPolarHBondContact O-CB 3.31Å; G25-R91 PolarHBondContact O-N 3.31Å
26	M	97.4	Very high	93.3	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.02	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.8	-174.3	-59.7	-57.4	-57.1	0	0	110.7	F19 F21 Y42 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.32Å; F19-M26 HydrophobicContact CZ-CE 4.35Å; F19-M26 HydrophobicContact CZ-SD 4.43Å; F21-M26 HydrophobicContact CD2-CE 4.3Å; F21-M26 HydrophobicContact CD2-CG 4.35Å; F21-M26 HydrophobicContact CD2-SD 4.03Å; F21-M26 HydrophobicContact CE2-CE 3.72Å; F21-M26 HydrophobicContact CE2-CG 3.66Å; F21-M26 HydrophobicContact CE2-SD 3.74Å; F21-M26 HydrophobicContact CZ-CG 3.77Å; F21-M26 HydrophobicContact CZ-SD 4.45Å; M26-Y42 CarbonylContact O-C 3.57Å; M26-Y42 WeakPolarHBondContact O-CA 3.42Å; M26-Y42 VanDerWaalsContact O-CD2 3.27Å; M26-Y42 WeakPolarHBondContact O-CD2 3.27Å; M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 2.83Å; M26-I43 PolarHBondContact O-N 3.01Å; M26-L71 HydrophobicContact CB-CD1 3.74Å; M26-L71 HydrophobicContact CB-CD2 3.89Å; M26-L71 HydrophobicContact CB-CG 4.42Å; M26-L71 HydrophobicContact CG-CD1 4.33Å; M26-R90 HydrophobicContact CE-CB 4.08Å; M26-R90 HydrophobicContact SD-CB 3.85Å
27	H	97.6	Very high	93.4	Very high	43 Å²	43	64.4 Å²	64.4	20%	0.199	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.3	-179.9	-59.3	-102.4	0	0	0	110.2	V29 W39 A41 Y42 C88 A89	H27-V29 HydrophobicContact CB-CG2 4.47Å; H27-W39 AromaticContact ND1-CD1 3.73Å; H27-W39 AromaticContact ND1-NE1 3.23Å; H27-W39 PolarHBondContact ND1-NE1 2.86Å; H27-A41 CarbonylContact C-O 3.43Å; H27-A41 VanDerWaalsContact CA-O 3.29Å; H27-A41 WeakPolarHBondContact CA-O 3.37Å; H27-Y42 AromaticContact CD2-CD2 3.83Å; H27-Y42 AromaticContact CE1-CD2 3.26Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.33Å; H27-Y42 AromaticContact CE1-CE2 3.85Å; H27-Y42 AromaticContact CG-CD2 3.95Å; H27-Y42 AromaticContact ND1-CD2 3.61Å; H27-Y42 AromaticContact NE2-CD2 3.39Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.45Å; H27-Y42 AromaticContact NE2-CE2 3.61Å; H27-C88 CarbonylContact O-C 3.6Å; H27-C88 VanDerWaalsContact O-CA 3.29Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; H27-A89 HydrophobicContact CB-CB 4.47Å; H27-A89 PolarHBondContact N-O 3.2Å; H27-A89 PolarHBondContact O-N 3.02Å
28	W	97.8	Very high	93.6	Very high	3 Å²	3	62 Å²	62	1%	0.011	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.8	155.7	-80.1	104.5	0	0	0	109.4	T12 C14 V40 A41 L71 F72 L73 Y87 C88	T12-W28 HydrophobicContact CG2-CH2 3.71Å; T12-W28 HydrophobicContact CG2-CZ2 3.99Å; T12-W28 HydrophobicContact CG2-CZ3 4.05Å; C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 4.15Å; W28-V40 HydrophobicContact CB-CB 4.06Å; W28-V40 HydrophobicContact CB-CG1 4.44Å; W28-V40 WeakPolarHBondContact O-CB 3.49Å; W28-V40 PolarHBondContact O-N 2.83Å; W28-A41 PolarHBondContact N-O 2.92Å; W28-A41 PolarHBondContact O-N 2.78Å; W28-L71 HydrophobicContact CD2-CD2 4.25Å; W28-L71 HydrophobicContact CG-CD2 4.22Å; W28-L71 HydrophobicContact CZ2-CD2 4.3Å; W28-L71 HydrophobicContact CZ2-CG 4.39Å; W28-L71 VanDerWaalsContact NE1-CD2 3.27Å; W28-F72 PolarHBondContact NE1-O 2.86Å; W28-L73 HydrophobicContact CB-CD2 4.29Å; W28-L73 HydrophobicContact CD2-CB 4.09Å; W28-L73 HydrophobicContact CD2-CD2 4.17Å; W28-L73 HydrophobicContact CG-CB 4.18Å; W28-L73 HydrophobicContact CG-CD1 4.42Å; W28-L73 HydrophobicContact CG-CD2 4Å; W28-L73 HydrophobicContact CG-CG 4.46Å; W28-L73 HydrophobicContact CZ2-CB 4.09Å; W28-Y87 WeakPolarHBondContact CA-O 3.47Å; W28-C88 HydrophobicContact CZ3-CB 4.48Å
29	V	97.2	Very high	93.9	Very high	28 Å²	28	62.9 Å²	62.9	17%	0.17	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.9	176.7	-172.1	0	0	0	0	106.9	H27 L37 E38 Y87	H27-V29 HydrophobicContact CB-CG2 4.47Å; V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.71Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.45Å; V29-Y87 PolarHBondContact N-O 3.06Å; V29-Y87 PolarHBondContact O-N 3.3Å; V29-Y87 VanDerWaalsContact O-O 3.13Å
30	R	96	Very high	94.3	Very high	10 Å²	10	60.5 Å²	60.5	4%	0.038	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.6	175.5	72.6	-178.1	-175.9	-176.6	4.9	111.8	L37 E38 V40 D82 A84 M85 Y86	R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.39Å; R30-E38 HydrophobicContact CG-CB 4.08Å; R30-E38 IonicContact CZ-OE2 3.02Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 3.9Å; R30-E38 PolarHBondContact NE-OE2 3.01Å; R30-E38 IonicContact NH2-OE2 3.26Å; R30-E38 PolarHBondContact NH2-OE2 2.98Å; R30-E38 VanDerWaalsContact NH2-OE2 3.13Å; R30-E38 PolarHBondContact O-N 3.37Å; R30-V40 HydrophobicContact CB-CG2 3.85Å; R30-V40 HydrophobicContact CG-CG2 3.61Å; R30-D82 IonicContact CZ-OD1 3.54Å; R30-D82 IonicContact NH1-OD1 3.13Å; R30-D82 PolarHBondContact NH1-OD1 2.9Å; R30-A84 HydrophobicContact CB-CB 3.93Å; R30-A84 HydrophobicContact CG-CB 4.2Å; R30-M85 CarbonylContact C-O 3.54Å; R30-M85 WeakPolarHBondContact CA-O 3.47Å; R30-Y86 HydrophobicContact CB-CD1 3.81Å; R30-Y86 HydrophobicContact CB-CE1 3.77Å; R30-Y86 HydrophobicContact CB-CE2 4.5Å; R30-Y86 HydrophobicContact CB-CG 4.2Å; R30-Y86 HydrophobicContact CG-CE1 4.43Å
31	Q	95.9	Very high	94.6	Very high	80 Å²	80	56.7 Å²	56.7	37%	0.374	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	113.8	175.8	-168.5	178.5	18.2	0	0	109.5	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.33Å; Q31-L37 HydrophobicContact CB-CD2 4.01Å; Q31-A84 WeakPolarHBondContact O-CB 3.25Å; Q31-M85 PolarHBondContact N-O 2.66Å; Q31-M85 PolarHBondContact O-N 3.09Å; Q31-Y87 HydrophobicContact CB-CE2 3.9Å
32	A	93	Very high	94.9	Very high	19 Å²	19	57.7 Å²	57.7	16%	0.157	30%	0.304	C	S	.	.			trans	-82	154.4	170.4	0	0	0	0	0	109.9	E34 K35 A84	A32-E34 PolarHBondContact O-N 2.99Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CD 4.29Å; A32-K35 HydrophobicContact CB-CG 4.27Å; A32-K35 PolarHBondContact O-N 3.01Å; A32-K35 VanDerWaalsContact O-O 3.07Å; A32-A84 HydrophobicContact CB-CB 4.35Å
33	P	89.3	Confident	95.1	Very high	131 Å²	131	55.6 Å²	55.6	85%	0.851	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.8	-174.6	-28.9	35.7	0	0	0	115.3
34	E	89.7	Confident	95.3	Very high	192 Å²	192	51.1 Å²	51.1	90%	0.897	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	9	-177.9	-58.8	-173.2	169.3	0	0	113.3	A32	A32-E34 PolarHBondContact O-N 2.99Å
35	K	88.4	Confident	95.3	Very high	113 Å²	113	49.9 Å²	49.9	49%	0.491	27%	0.268	S	S	.	.	S	Bend	trans	-127.6	157.7	-175.2	-62.4	-172.3	173.4	-175.9	0	112.2	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.33Å; A32-K35 HydrophobicContact CB-CB 4.12Å; A32-K35 HydrophobicContact CB-CD 4.29Å; A32-K35 HydrophobicContact CB-CG 4.27Å; A32-K35 PolarHBondContact O-N 3.01Å; A32-K35 VanDerWaalsContact O-O 3.07Å; K35-E38 VanDerWaalsContact CD-OE1 3.29Å; K35-E38 WeakPolarHBondContact CD-OE1 3.4Å; K35-E38 IonicContact NZ-OE1 2.83Å; K35-E38 PolarHBondContact NZ-OE1 3.37Å
36	G	91.6	Very high	95.2	Very high	52 Å²	52	52.4 Å²	52.4	54%	0.536	29%	0.294	S	S	.	.			trans	-68.2	-176.3	167.7	0	0	0	0	0	112.7	E38	G36-E38 PolarHBondContact O-N 3.24Å
37	L	94.6	Very high	95.1	Very high	118 Å²	118	54.6 Å²	54.6	62%	0.618	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	123.6	172.3	-72.3	166.4	0	0	0	110.2	V29 R30 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.71Å; V29-L37 HydrophobicContact CG1-CG 4.29Å; R30-L37 CarbonylContact O-C 3.55Å; R30-L37 WeakPolarHBondContact O-CA 3.39Å; Q31-L37 HydrophobicContact CB-CD2 4.01Å; L37-Y87 HydrophobicContact CD2-CD2 4.1Å; L37-Y87 HydrophobicContact CD2-CE2 4.26Å
38	E	96	Very high	95.1	Very high	57 Å²	57	57.7 Å²	57.7	27%	0.266	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.6	174.7	-65.7	-178	160.4	0	0	109.3	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.35Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.45Å; R30-E38 HydrophobicContact CG-CB 4.08Å; R30-E38 IonicContact CZ-OE2 3.02Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 3.9Å; R30-E38 PolarHBondContact NE-OE2 3.01Å; R30-E38 IonicContact NH2-OE2 3.26Å; R30-E38 PolarHBondContact NH2-OE2 2.98Å; R30-E38 VanDerWaalsContact NH2-OE2 3.13Å; R30-E38 PolarHBondContact O-N 3.37Å; K35-E38 VanDerWaalsContact CD-OE1 3.29Å; K35-E38 WeakPolarHBondContact CD-OE1 3.4Å; K35-E38 IonicContact NZ-OE1 2.83Å; K35-E38 PolarHBondContact NZ-OE1 3.37Å; G36-E38 PolarHBondContact O-N 3.24Å
39	W	97.3	Very high	95.1	Very high	102 Å²	102	60 Å²	60	39%	0.386	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.3	173.2	177	78.5	0	0	0	110.9	H27 A41 Y52 A53	H27-W39 AromaticContact ND1-CD1 3.73Å; H27-W39 AromaticContact ND1-NE1 3.23Å; H27-W39 PolarHBondContact ND1-NE1 2.86Å; W39-A41 PolarHBondContact NE1-O 2.86Å; W39-Y52 VanDerWaalsContact CZ3-C 3.5Å; W39-A53 HydrophobicContact CE3-CB 3.99Å; W39-A53 HydrophobicContact CZ3-CB 3.98Å; W39-A53 VanDerWaalsContact CZ3-N 3.28Å; W39-A53 WeakPolarHBondContact O-CB 3.29Å
40	V	97.3	Very high	95.1	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.006	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-53.5	-173.7	178.3	0	0	0	0	111.9	W28 R30 A53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.06Å; W28-V40 HydrophobicContact CB-CG1 4.44Å; W28-V40 WeakPolarHBondContact O-CB 3.49Å; W28-V40 PolarHBondContact O-N 2.83Å; R30-V40 HydrophobicContact CB-CG2 3.85Å; R30-V40 HydrophobicContact CG-CG2 3.61Å; V40-A53 PolarHBondContact O-N 3.4Å; V40-V56 HydrophobicContact CG1-CG1 4.41Å; V40-V56 HydrophobicContact CG1-CG2 3.99Å; V40-F60 HydrophobicContact CG1-CD2 3.88Å; V40-F60 HydrophobicContact CG1-CE2 4.32Å; V40-L73 HydrophobicContact CG1-CD2 4.16Å; V40-Y86 HydrophobicContact CG2-CE1 4.28Å
41	A	98	Very high	95.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	161.2	-175.8	0	0	0	0	0	111.8	H27 W28 W39 Y51 Y52 I62	H27-A41 CarbonylContact C-O 3.43Å; H27-A41 VanDerWaalsContact CA-O 3.29Å; H27-A41 WeakPolarHBondContact CA-O 3.37Å; W28-A41 PolarHBondContact N-O 2.92Å; W28-A41 PolarHBondContact O-N 2.78Å; W39-A41 PolarHBondContact NE1-O 2.86Å; A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.29Å; A41-Y52 HydrophobicContact CB-CD1 3.75Å; A41-Y52 HydrophobicContact CB-CE1 4.06Å; A41-I62 HydrophobicContact CB-CB 4.07Å; A41-I62 HydrophobicContact CB-CD1 4.04Å; A41-I62 HydrophobicContact CB-CG2 4.15Å
42	Y	98.1	Very high	95.3	Very high	23 Å²	23	67 Å²	67	9%	0.09	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.8	174.9	169.5	-101.7	0	0	0	110.4	M26 H27 I50 Y51	M26-Y42 CarbonylContact O-C 3.57Å; M26-Y42 WeakPolarHBondContact O-CA 3.42Å; M26-Y42 VanDerWaalsContact O-CD2 3.27Å; M26-Y42 WeakPolarHBondContact O-CD2 3.27Å; H27-Y42 AromaticContact CD2-CD2 3.83Å; H27-Y42 AromaticContact CE1-CD2 3.26Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.33Å; H27-Y42 AromaticContact CE1-CE2 3.85Å; H27-Y42 AromaticContact CG-CD2 3.95Å; H27-Y42 AromaticContact ND1-CD2 3.61Å; H27-Y42 AromaticContact NE2-CD2 3.39Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.45Å; H27-Y42 AromaticContact NE2-CE2 3.61Å; Y42-I50 VanDerWaalsContact O-CA 3.29Å; Y42-I50 WeakPolarHBondContact O-CA 3.25Å; Y42-I50 WeakPolarHBondContact O-CG2 3.26Å; Y42-Y51 AromaticContact CD1-CD2 3.72Å; Y42-Y51 HydrophobicContact CD1-CD2 3.72Å; Y42-Y51 HydrophobicContact CD1-CE2 4.32Å; Y42-Y51 HydrophobicContact CE1-CD2 4.42Å; Y42-Y51 PolarHBondContact N-O 2.86Å; Y42-Y51 PolarHBondContact O-N 2.85Å
43	I	98.2	Very high	95.5	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.2	169.7	-172.3	159.8	0	0	0	109.9	G25 M26 I50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.55Å; G25-I43 VanDerWaalsContact CA-O 3.3Å; G25-I43 WeakPolarHBondContact CA-O 3.29Å; M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 2.83Å; M26-I43 PolarHBondContact O-N 3.01Å; I43-I50 HydrophobicContact CD1-CD1 4.04Å; I43-I50 HydrophobicContact CD1-CG1 4.21Å; I43-I50 HydrophobicContact CG1-CD1 4.41Å; I43-I50 HydrophobicContact CG1-CG1 4.02Å; I43-I62 HydrophobicContact CB-CD1 3.88Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 4.16Å; I43-I62 HydrophobicContact CG2-CD1 3.53Å; I43-I62 HydrophobicContact CG2-CG1 3.95Å; I43-R64 HydrophobicContact CD1-CB 4.47Å; I43-R64 HydrophobicContact CD1-CG 3.88Å; I43-R64 HydrophobicContact CG1-CG 4.46Å; I43-L71 HydrophobicContact CG2-CD1 3.63Å
44	S	97.1	Very high	95.9	Very high	10 Å²	10	67.2 Å²	67.2	7%	0.07	37%	0.37	C	S	.	.			trans	-63.3	164.4	173.4	61.7	0	0	0	0	112.7	G46 S47 S48 T49 R64	S44-G46 VanDerWaalsContact C-N 3.32Å; S44-G46 PolarHBondContact O-N 3.33Å; S44-S47 PolarHBondContact O-N 3.11Å; S44-S47 VanDerWaalsContact O-N 3.1Å; S44-S47 PolarHBondContact OG-N 2.98Å; S44-S48 PolarHBondContact OG-N 2.77Å; S44-S48 VanDerWaalsContact OG-N 3.14Å; S44-T49 PolarHBondContact N-O 2.94Å; S44-T49 PolarHBondContact OG-N 2.9Å; S44-T49 PolarHBondContact OG-O 3.25Å; S44-R64 PolarHBondContact O-NH1 2.85Å
45	S	94.9	Very high	96.1	Very high	52 Å²	52	62.2 Å²	62.2	36%	0.364	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-48.3	175.4	38.7	0	0	0	0	113.4	S22 N66	S22-S45 WeakPolarHBondContact O-CB 3.43Å; S45-N66 PolarHBondContact O-ND2 2.9Å
46	G	93.9	Very high	96.4	Very high	59 Å²	59	56.8 Å²	56.8	61%	0.608	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	8.7	179.4	0	0	0	0	0	115	S44 S48	S44-G46 VanDerWaalsContact C-N 3.32Å; S44-G46 PolarHBondContact O-N 3.33Å; G46-S48 PolarHBondContact O-N 2.7Å
47	S	96.1	Very high	96.6	Very high	51 Å²	51	61 Å²	61	36%	0.357	33%	0.332	S	S	.	.	S	Bend	trans	57.8	11.7	-177.1	-53.4	0	0	0	0	115.6	S44 T49 R64	S44-S47 PolarHBondContact O-N 3.11Å; S44-S47 VanDerWaalsContact O-N 3.1Å; S44-S47 PolarHBondContact OG-N 2.98Å; S47-T49 VanDerWaalsContact C-N 3.32Å; S47-R64 WeakPolarHBondContact OG-CD 3.01Å; S47-R64 WeakPolarHBondContact OG-CG 3.34Å
48	S	96.2	Very high	96.6	Very high	108 Å²	108	59 Å²	59	76%	0.755	34%	0.34	S	S	*	.	S	Bend	trans	-73.7	-24.8	179.8	58	0	0	0	0	113	S44 G46	S44-S48 PolarHBondContact OG-N 2.77Å; S44-S48 VanDerWaalsContact OG-N 3.14Å; G46-S48 PolarHBondContact O-N 2.7Å
49	T	97.4	Very high	96.5	Very high	50 Å²	50	57.4 Å²	57.4	31%	0.307	33%	0.332	S	S	.	.			trans	-125.5	127.2	179.6	-53	0	0	0	0	109.7	S44 S47 Y51	S44-T49 PolarHBondContact N-O 2.94Å; S44-T49 PolarHBondContact OG-N 2.9Å; S44-T49 PolarHBondContact OG-O 3.25Å; S47-T49 VanDerWaalsContact C-N 3.32Å; T49-Y51 HydrophobicContact CG2-CD2 4.08Å; T49-Y51 HydrophobicContact CG2-CE1 4.26Å; T49-Y51 HydrophobicContact CG2-CE2 3.32Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.43Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.47Å
50	I	98.3	Very high	96.5	Very high	67 Å²	67	52.7 Å²	52.7	34%	0.344	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.4	178.9	-57.5	179.7	0	0	0	108.8	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.29Å; Y42-I50 WeakPolarHBondContact O-CA 3.25Å; Y42-I50 WeakPolarHBondContact O-CG2 3.26Å; I43-I50 HydrophobicContact CD1-CD1 4.04Å; I43-I50 HydrophobicContact CD1-CG1 4.21Å; I43-I50 HydrophobicContact CG1-CD1 4.41Å; I43-I50 HydrophobicContact CG1-CG1 4.02Å; I50-Y52 HydrophobicContact CG2-CD2 4.15Å; I50-Y52 HydrophobicContact CG2-CE1 4.36Å; I50-Y52 HydrophobicContact CG2-CE2 3.4Å; I50-I62 HydrophobicContact CG2-CG2 3.46Å; I50-I62 VanDerWaalsContact CG2-CG2 3.46Å
51	Y	98.1	Very high	96.5	Very high	142 Å²	142	55.7 Å²	55.7	56%	0.557	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.5	174.1	-59.3	-64.9	0	0	0	110.7	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.48Å; A41-Y51 VanDerWaalsContact CA-O 3.23Å; A41-Y51 WeakPolarHBondContact CA-O 3.29Å; Y42-Y51 AromaticContact CD1-CD2 3.72Å; Y42-Y51 HydrophobicContact CD1-CD2 3.72Å; Y42-Y51 HydrophobicContact CD1-CE2 4.32Å; Y42-Y51 HydrophobicContact CE1-CD2 4.42Å; Y42-Y51 PolarHBondContact N-O 2.86Å; Y42-Y51 PolarHBondContact O-N 2.85Å; T49-Y51 HydrophobicContact CG2-CD2 4.08Å; T49-Y51 HydrophobicContact CG2-CE1 4.26Å; T49-Y51 HydrophobicContact CG2-CE2 3.32Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.43Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.47Å
52	Y	98.3	Very high	96.4	Very high	57 Å²	57	55.9 Å²	55.9	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	146.6	177.4	-62.6	-81.9	0	0	0	109.6	W39 A41 I50 F60 T61 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.5Å; A41-Y52 HydrophobicContact CB-CD1 3.75Å; A41-Y52 HydrophobicContact CB-CE1 4.06Å; I50-Y52 HydrophobicContact CG2-CD2 4.15Å; I50-Y52 HydrophobicContact CG2-CE1 4.36Å; I50-Y52 HydrophobicContact CG2-CE2 3.4Å; Y52-F60 WeakPolarHBondContact CE1-O 3.23Å; Y52-T61 WeakPolarHBondContact OH-CA 3.49Å; Y52-I62 HydrophobicContact CE1-CB 4.25Å; Y52-I62 HydrophobicContact CE1-CG2 3.8Å; Y52-I62 PolarHBondContact OH-N 3.14Å; Y52-I62 VanDerWaalsContact OH-N 3.09Å
53	A	97.3	Very high	96.4	Very high	15 Å²	15	57.1 Å²	57.1	12%	0.124	35%	0.346	C	S	.	.			trans	-66	144	166.7	0	0	0	0	0	110	W39 V40 T55 V56 K57	W39-A53 HydrophobicContact CE3-CB 3.99Å; W39-A53 HydrophobicContact CZ3-CB 3.98Å; W39-A53 VanDerWaalsContact CZ3-N 3.28Å; W39-A53 WeakPolarHBondContact O-CB 3.29Å; V40-A53 PolarHBondContact O-N 3.4Å; A53-T55 PolarHBondContact O-N 3.39Å; A53-T55 VanDerWaalsContact O-N 3.12Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 3.29Å; A53-V56 PolarHBondContact O-N 2.84Å; A53-K57 PolarHBondContact O-N 2.58Å
54	D	96.4	Very high	96.3	Very high	140 Å²	140	58.4 Å²	58.4	75%	0.749	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.6	-176.8	-68.7	-35.4	0	0	0	112.6	V56	D54-V56 PolarHBondContact O-N 2Å
55	T	93.9	Very high	96.3	Very high	86 Å²	86	59.9 Å²	59.9	53%	0.528	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.6	178.1	55	0	0	0	0	113.9	A53 R59	A53-T55 PolarHBondContact O-N 3.39Å; A53-T55 VanDerWaalsContact O-N 3.12Å; T55-R59 PolarHBondContact O-NH2 2.98Å
56	V	95.3	Very high	96.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-6.6	-176.3	-57.8	0	0	0	0	113.4	V40 A53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.41Å; V40-V56 HydrophobicContact CG1-CG2 3.99Å; A53-V56 HydrophobicContact CB-CG2 4.2Å; A53-V56 WeakPolarHBondContact O-CG2 3.29Å; A53-V56 PolarHBondContact O-N 2.84Å; D54-V56 PolarHBondContact O-N 2Å; V56-G58 PolarHBondContact O-N 3.28Å; V56-R59 WeakPolarHBondContact O-CB 3.21Å; V56-R59 PolarHBondContact O-N 2.88Å; V56-F60 HydrophobicContact CB-CB 4.1Å; V56-F60 HydrophobicContact CB-CD1 4.29Å; V56-F60 HydrophobicContact CB-CD2 3.69Å; V56-F60 HydrophobicContact CB-CE2 4.14Å; V56-F60 HydrophobicContact CB-CG 3.77Å; V56-F60 HydrophobicContact CG1-CD2 3.72Å; V56-F60 HydrophobicContact CG1-CE2 3.66Å; V56-F60 HydrophobicContact CG1-CG 4.23Å; V56-F60 HydrophobicContact CG1-CZ 4.09Å; V56-F60 HydrophobicContact CG2-CB 4.35Å; V56-F60 HydrophobicContact CG2-CD2 4.21Å; V56-F60 HydrophobicContact CG2-CG 4.43Å; V56-F60 PolarHBondContact O-N 3.04Å
57	K	95.4	Very high	96.3	Very high	139 Å²	139	62 Å²	62	60%	0.604	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	130.6	-178.4	-167.5	174	-174.7	176.2	0	111	A53 R59	A53-K57 PolarHBondContact O-N 2.58Å; K57-R59 PolarHBondContact O-N 2.84Å
58	G	94.6	Very high	96.3	Very high	77 Å²	77	66.1 Å²	66.1	79%	0.794	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-2.6	-177	0	0	0	0	0	115	V56	V56-G58 PolarHBondContact O-N 3.28Å
59	R	95.3	Very high	96.3	Very high	23 Å²	23	64 Å²	64	9%	0.087	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-38.5	176.1	-61.4	-168.9	-56.6	113.6	-0.8	111.6	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.98Å; V56-R59 WeakPolarHBondContact O-CB 3.21Å; V56-R59 PolarHBondContact O-N 2.88Å; K57-R59 PolarHBondContact O-N 2.84Å; R59-T76 WeakPolarHBondContact CB-O 3.32Å; R59-T76 WeakPolarHBondContact O-CA 3.48Å; R59-T76 WeakPolarHBondContact O-CB 3.22Å; R59-T76 PolarHBondContact O-N 3.37Å; R59-T76 PolarHBondContact O-OG1 3.32Å; R59-S77 PolarHBondContact NH1-O 3.1Å; R59-D82 IonicContact CZ-OD1 3.95Å; R59-D82 IonicContact CZ-OD2 3.32Å; R59-D82 IonicContact NH1-OD1 3.94Å; R59-D82 IonicContact NH1-OD2 2.66Å; R59-D82 PolarHBondContact NH1-OD2 2.84Å; R59-D82 IonicContact NH2-OD1 2.99Å; R59-D82 PolarHBondContact NH2-OD1 3.48Å; R59-D82 IonicContact NH2-OD2 3.09Å; R59-D82 PolarHBondContact NH2-OD2 3.12Å; R59-D82 VanDerWaalsContact NH2-OD2 3.09Å
60	F	95.9	Very high	96.2	Very high	3 Å²	3	62.5 Å²	62.5	1%	0.013	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145.7	-178	-67.7	13	0	0	0	110.3	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.88Å; V40-F60 HydrophobicContact CG1-CE2 4.32Å; Y52-F60 WeakPolarHBondContact CE1-O 3.23Å; V56-F60 HydrophobicContact CB-CB 4.1Å; V56-F60 HydrophobicContact CB-CD1 4.29Å; V56-F60 HydrophobicContact CB-CD2 3.69Å; V56-F60 HydrophobicContact CB-CE2 4.14Å; V56-F60 HydrophobicContact CB-CG 3.77Å; V56-F60 HydrophobicContact CG1-CD2 3.72Å; V56-F60 HydrophobicContact CG1-CE2 3.66Å; V56-F60 HydrophobicContact CG1-CG 4.23Å; V56-F60 HydrophobicContact CG1-CZ 4.09Å; V56-F60 HydrophobicContact CG2-CB 4.35Å; V56-F60 HydrophobicContact CG2-CD2 4.21Å; V56-F60 HydrophobicContact CG2-CG 4.43Å; V56-F60 PolarHBondContact O-N 3.04Å; F60-L73 HydrophobicContact CB-CD1 4.08Å; F60-L73 HydrophobicContact CD2-CD1 4.37Å; F60-L73 HydrophobicContact CD2-CD2 4.02Å; F60-L73 HydrophobicContact CD2-CG 4.34Å; F60-L73 HydrophobicContact CE2-CD2 4.47Å; F60-Q74 CarbonylContact C-O 3.54Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.39Å; F60-M75 HydrophobicContact CD1-CB 3.96Å; F60-M75 HydrophobicContact CD1-CG 3.98Å; F60-M75 HydrophobicContact CD2-CG 3.96Å; F60-M75 HydrophobicContact CE1-CB 3.82Å; F60-M75 HydrophobicContact CE1-CG 3.92Å; F60-M75 HydrophobicContact CE2-CG 3.86Å; F60-M75 HydrophobicContact CE2-SD 4.15Å; F60-M75 HydrophobicContact CG-CB 4.48Å; F60-M75 HydrophobicContact CG-CG 4.03Å; F60-M75 HydrophobicContact CZ-CB 4.17Å; F60-M75 HydrophobicContact CZ-CG 3.86Å; F60-M75 HydrophobicContact CZ-SD 4.19Å; F60-L78 HydrophobicContact CE1-CD2 3.98Å; F60-L78 HydrophobicContact CZ-CD2 3.85Å; F60-D82 HydrophobicContact CZ-CB 4.03Å; F60-Y86 HydrophobicContact CE2-CE1 4.15Å
61	T	97	Very high	96.2	Very high	64 Å²	64	59.3 Å²	59.3	39%	0.393	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118	177.5	-55.8	0	0	0	0	108.9	Y52 L73 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.49Å; T61-L73 WeakPolarHBondContact O-CA 3.2Å; T61-Q74 PolarHBondContact N-O 3.37Å; T61-Q74 PolarHBondContact O-N 3.19Å
62	I	97.7	Very high	96.2	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.1	173.1	-171.5	174.8	0	0	0	109.2	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 4.07Å; A41-I62 HydrophobicContact CB-CD1 4.04Å; A41-I62 HydrophobicContact CB-CG2 4.15Å; I43-I62 HydrophobicContact CB-CD1 3.88Å; I43-I62 HydrophobicContact CB-CG1 4.22Å; I43-I62 HydrophobicContact CB-CG2 4.16Å; I43-I62 HydrophobicContact CG2-CD1 3.53Å; I43-I62 HydrophobicContact CG2-CG1 3.95Å; I50-I62 HydrophobicContact CG2-CG2 3.46Å; I50-I62 VanDerWaalsContact CG2-CG2 3.46Å; Y52-I62 HydrophobicContact CE1-CB 4.25Å; Y52-I62 HydrophobicContact CE1-CG2 3.8Å; Y52-I62 PolarHBondContact OH-N 3.14Å; Y52-I62 VanDerWaalsContact OH-N 3.09Å; I62-L71 HydrophobicContact CD1-CD1 4.12Å; I62-L71 HydrophobicContact CD1-CD2 4.47Å; I62-L71 HydrophobicContact CG1-CD1 4.11Å; I62-F72 WeakPolarHBondContact CA-O 3.38Å; I62-L73 HydrophobicContact CB-CD1 4.21Å
63	S	97.4	Very high	96.2	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	167.1	173.6	70.1	0	0	0	0	110.3	L71 F72	S63-L71 WeakPolarHBondContact O-CD1 3.32Å; S63-F72 PolarHBondContact N-O 3.05Å; S63-F72 PolarHBondContact O-N 3.46Å; S63-F72 WeakPolarHBondContact OG-CB 3.42Å
64	R	96.8	Very high	96.1	Very high	29 Å²	29	54.2 Å²	54.2	11%	0.109	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.9	-176.2	65.4	-176.9	-68.3	158.7	2.2	111.5	F21 Y24 I43 S44 S47 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 VanDerWaalsContact CE1-NH2 3.35Å; F21-R64 PolarHBondContact O-NH2 2.89Å; Y24-R64 PolarHBondContact O-NH1 3.05Å; I43-R64 HydrophobicContact CD1-CB 4.47Å; I43-R64 HydrophobicContact CD1-CG 3.88Å; I43-R64 HydrophobicContact CG1-CG 4.46Å; S44-R64 PolarHBondContact O-NH1 2.85Å; S47-R64 WeakPolarHBondContact OG-CD 3.01Å; S47-R64 WeakPolarHBondContact OG-CG 3.34Å; R64-N66 PolarHBondContact NE-OD1 3.07Å; R64-N66 PolarHBondContact NH2-OD1 3.23Å; R64-T70 WeakPolarHBondContact CA-O 3.44Å; R64-L71 HydrophobicContact CB-CD1 4.05Å
65	D	96.3	Very high	95.9	Very high	41 Å²	41	48.5 Å²	48.5	22%	0.219	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	106.8	169.5	-174.7	-25.4	0	0	0	108.7	A67 K68 N69 T70 F72	D65-A67 WeakPolarHBondContact OD1-CB 3.3Å; D65-A67 PolarHBondContact OD1-N 3.19Å; D65-K68 HydrophobicContact CB-CB 4.14Å; D65-K68 HydrophobicContact CB-CG 4.48Å; D65-K68 PolarHBondContact O-N 2.77Å; D65-K68 PolarHBondContact OD1-N 2.87Å; D65-K68 VanDerWaalsContact OD2-CD 3.31Å; D65-K68 WeakPolarHBondContact OD2-CD 3.48Å; D65-K68 WeakPolarHBondContact OD2-CE 3.03Å; D65-K68 VanDerWaalsContact OD2-CG 3.31Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 2.73Å; D65-K68 PolarHBondContact OD2-NZ 3.09Å; D65-N69 PolarHBondContact O-N 2.83Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 2.76Å; D65-F72 HydrophobicContact CB-CE2 3.94Å
66	N	95.1	Very high	95.7	Very high	61 Å²	61	46.6 Å²	46.6	33%	0.326	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.2	-178.2	-73.3	-16.1	0	0	0	112.7	F21 S45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 2.95Å; S45-N66 PolarHBondContact O-ND2 2.9Å; R64-N66 PolarHBondContact NE-OD1 3.07Å; R64-N66 PolarHBondContact NH2-OD1 3.23Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 2.95Å; N66-N69 PolarHBondContact O-N 2.95Å; N66-N69 PolarHBondContact O-OD1 2.75Å
67	A	94.3	Very high	95.4	Very high	94 Å²	94	51.1 Å²	51.1	78%	0.777	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.8	177.8	0	0	0	0	0	111.2	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.3Å; D65-A67 PolarHBondContact OD1-N 3.19Å
68	K	95.3	Very high	95.2	Very high	138 Å²	138	48.6 Å²	48.6	60%	0.6	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	1	176.8	-61.2	-170.4	-169.5	106.5	0	114.3	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.14Å; D65-K68 HydrophobicContact CB-CG 4.48Å; D65-K68 PolarHBondContact O-N 2.77Å; D65-K68 PolarHBondContact OD1-N 2.87Å; D65-K68 VanDerWaalsContact OD2-CD 3.31Å; D65-K68 WeakPolarHBondContact OD2-CD 3.48Å; D65-K68 WeakPolarHBondContact OD2-CE 3.03Å; D65-K68 VanDerWaalsContact OD2-CG 3.31Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 2.73Å; D65-K68 PolarHBondContact OD2-NZ 3.09Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 2.95Å; K68-T70 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-OG1 2.81Å
69	N	95.6	Very high	95.1	Very high	64 Å²	64	51.7 Å²	51.7	34%	0.342	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	38	-172.1	-60.6	-43.7	0	0	0	113	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.91Å; F21-N69 HydrophobicContact CB-CB 3.93Å; F21-N69 VanDerWaalsContact CB-OD1 3.22Å; F21-N69 WeakPolarHBondContact CB-OD1 3.3Å; F21-N69 HydrophobicContact CG-CB 4.25Å; D65-N69 PolarHBondContact O-N 2.83Å; N66-N69 PolarHBondContact O-N 2.95Å; N66-N69 PolarHBondContact O-OD1 2.75Å
70	T	96.9	Very high	94.8	Very high	18 Å²	18	55 Å²	55	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.1	-171.6	-55.4	0	0	0	0	111.3	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.29Å; R64-T70 WeakPolarHBondContact CA-O 3.44Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 2.76Å; K68-T70 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact O-N 3.12Å; K68-T70 PolarHBondContact O-OG1 2.81Å; T70-F72 HydrophobicContact CG2-CD1 4.26Å; T70-F72 HydrophobicContact CG2-CD2 4.29Å; T70-F72 HydrophobicContact CG2-CE1 3.63Å; T70-F72 HydrophobicContact CG2-CE2 3.66Å; T70-F72 HydrophobicContact CG2-CZ 3.29Å
71	L	97.9	Very high	94.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140	170.8	-166.9	69.6	0	0	0	109.5	S13 C14 F21 M26 W28 I43 I62 S63 R64 C88	S13-L71 CarbonylContact C-O 3.5Å; S13-L71 VanDerWaalsContact CA-O 3.24Å; S13-L71 WeakPolarHBondContact CA-O 3.46Å; C14-L71 HydrophobicContact CB-CB 4.44Å; C14-L71 PolarHBondContact N-O 2.83Å; C14-L71 PolarHBondContact O-N 2.82Å; F21-L71 HydrophobicContact CE2-CB 4.45Å; F21-L71 HydrophobicContact CZ-CB 3.97Å; F21-L71 HydrophobicContact CZ-CD1 4.33Å; M26-L71 HydrophobicContact CB-CD1 3.74Å; M26-L71 HydrophobicContact CB-CD2 3.89Å; M26-L71 HydrophobicContact CB-CG 4.42Å; M26-L71 HydrophobicContact CG-CD1 4.33Å; W28-L71 HydrophobicContact CD2-CD2 4.25Å; W28-L71 HydrophobicContact CG-CD2 4.22Å; W28-L71 HydrophobicContact CZ2-CD2 4.3Å; W28-L71 HydrophobicContact CZ2-CG 4.39Å; W28-L71 VanDerWaalsContact NE1-CD2 3.27Å; I43-L71 HydrophobicContact CG2-CD1 3.63Å; I62-L71 HydrophobicContact CD1-CD1 4.12Å; I62-L71 HydrophobicContact CD1-CD2 4.47Å; I62-L71 HydrophobicContact CG1-CD1 4.11Å; S63-L71 WeakPolarHBondContact O-CD1 3.32Å; R64-L71 HydrophobicContact CB-CD1 4.05Å; L71-C88 HydrophobicContact CD2-CB 3.98Å
72	F	97.6	Very high	94.3	Very high	41 Å²	41	57.4 Å²	57.4	18%	0.18	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.3	177.6	-55.6	-88.5	0	0	0	110.7	E11 T12 W28 I62 S63 D65 T70	E11-F72 HydrophobicContact CG-CB 4.4Å; E11-F72 HydrophobicContact CG-CD1 4.39Å; T12-F72 CarbonylContact O-C 3.59Å; T12-F72 WeakPolarHBondContact O-CA 3.49Å; W28-F72 PolarHBondContact NE1-O 2.86Å; I62-F72 WeakPolarHBondContact CA-O 3.38Å; S63-F72 PolarHBondContact N-O 3.05Å; S63-F72 PolarHBondContact O-N 3.46Å; S63-F72 WeakPolarHBondContact OG-CB 3.42Å; D65-F72 HydrophobicContact CB-CE2 3.94Å; T70-F72 HydrophobicContact CG2-CD1 4.26Å; T70-F72 HydrophobicContact CG2-CD2 4.29Å; T70-F72 HydrophobicContact CG2-CE1 3.63Å; T70-F72 HydrophobicContact CG2-CE2 3.66Å; T70-F72 HydrophobicContact CG2-CZ 3.29Å
73	L	97.5	Very high	94.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	105.7	168.5	-175.3	71.9	0	0	0	108.4	E11 T12 W28 V40 F60 T61 I62 M75 Y86	E11-L73 WeakPolarHBondContact CA-O 3.26Å; T12-L73 HydrophobicContact CG2-CB 3.66Å; T12-L73 HydrophobicContact CG2-CD2 4.21Å; T12-L73 HydrophobicContact CG2-CG 4.42Å; T12-L73 PolarHBondContact N-O 3.5Å; T12-L73 PolarHBondContact O-N 2.83Å; W28-L73 HydrophobicContact CB-CD2 4.29Å; W28-L73 HydrophobicContact CD2-CB 4.09Å; W28-L73 HydrophobicContact CD2-CD2 4.17Å; W28-L73 HydrophobicContact CG-CB 4.18Å; W28-L73 HydrophobicContact CG-CD1 4.42Å; W28-L73 HydrophobicContact CG-CD2 4Å; W28-L73 HydrophobicContact CG-CG 4.46Å; W28-L73 HydrophobicContact CZ2-CB 4.09Å; V40-L73 HydrophobicContact CG1-CD2 4.16Å; F60-L73 HydrophobicContact CB-CD1 4.08Å; F60-L73 HydrophobicContact CD2-CD1 4.37Å; F60-L73 HydrophobicContact CD2-CD2 4.02Å; F60-L73 HydrophobicContact CD2-CG 4.34Å; F60-L73 HydrophobicContact CE2-CD2 4.47Å; T61-L73 WeakPolarHBondContact O-CA 3.2Å; I62-L73 HydrophobicContact CB-CD1 4.21Å; L73-M75 HydrophobicContact CD2-CG 4.24Å; L73-M75 HydrophobicContact CD2-SD 4.33Å; L73-M75 HydrophobicContact CG-CG 4.12Å; L73-Y86 HydrophobicContact CD2-CD1 4Å; L73-Y86 HydrophobicContact CD2-CE1 4.1Å
74	Q	96.1	Very high	93.9	Very high	67 Å²	67	61.2 Å²	61.2	31%	0.313	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.4	171.1	-171.4	-178.9	8.8	0	0	108.6	V9 F60 T61	V9-Q74 HydrophobicContact CG1-CG 3.59Å; F60-Q74 CarbonylContact C-O 3.54Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.39Å; T61-Q74 PolarHBondContact N-O 3.37Å; T61-Q74 PolarHBondContact O-N 3.19Å
75	M	93	Very high	93.8	Very high	19 Å²	19	65.2 Å²	65.2	9%	0.094	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	101.1	-175.9	-64	171.4	-73.9	0	0	109.2	P10 T12 F60 L73 L78 Y86	P10-M75 PolarHBondContact O-N 3.12Å; T12-M75 HydrophobicContact CG2-CE 3.83Å; F60-M75 HydrophobicContact CD1-CB 3.96Å; F60-M75 HydrophobicContact CD1-CG 3.98Å; F60-M75 HydrophobicContact CD2-CG 3.96Å; F60-M75 HydrophobicContact CE1-CB 3.82Å; F60-M75 HydrophobicContact CE1-CG 3.92Å; F60-M75 HydrophobicContact CE2-CG 3.86Å; F60-M75 HydrophobicContact CE2-SD 4.15Å; F60-M75 HydrophobicContact CG-CB 4.48Å; F60-M75 HydrophobicContact CG-CG 4.03Å; F60-M75 HydrophobicContact CZ-CB 4.17Å; F60-M75 HydrophobicContact CZ-CG 3.86Å; F60-M75 HydrophobicContact CZ-SD 4.19Å; L73-M75 HydrophobicContact CD2-CG 4.24Å; L73-M75 HydrophobicContact CD2-SD 4.33Å; L73-M75 HydrophobicContact CG-CG 4.12Å; M75-L78 HydrophobicContact CB-CD1 4.43Å; M75-L78 HydrophobicContact CB-CD2 3.81Å; M75-L78 HydrophobicContact CB-CG 4.04Å; M75-L78 HydrophobicContact CG-CD2 4.38Å; M75-L78 HydrophobicContact SD-CD2 4.07Å; M75-Y86 HydrophobicContact SD-CE1 4.36Å; M75-Y86 HydrophobicContact SD-CE2 4.47Å
76	T	89.9	Confident	93.8	Very high	47 Å²	47	65 Å²	65	29%	0.288	36%	0.355	S	S	.	.			trans	-92.4	145.1	173.7	69.1	0	0	0	0	110.1	V9 R59 L78	V9-T76 HydrophobicContact CG1-CG2 3.78Å; R59-T76 WeakPolarHBondContact CB-O 3.32Å; R59-T76 WeakPolarHBondContact O-CA 3.48Å; R59-T76 WeakPolarHBondContact O-CB 3.22Å; R59-T76 PolarHBondContact O-N 3.37Å; R59-T76 PolarHBondContact O-OG1 3.32Å; T76-L78 PolarHBondContact O-N 3.11Å
77	S	89.1	Confident	93.8	Very high	95 Å²	95	67 Å²	67	66%	0.664	36%	0.359	S	S	*	.	S	Bend	trans	51.8	55.3	177.2	-56.3	0	0	0	0	113.6	R59	R59-S77 PolarHBondContact NH1-O 3.1Å
78	L	90.3	Very high	93.9	Very high	85 Å²	85	64.7 Å²	64.7	45%	0.445	34%	0.336	S	S	.	.			trans	-57.5	140.1	174.3	-78.2	169.1	0	0	0	111.4	P10 F60 M75 T76 D82	P10-L78 HydrophobicContact CB-CD1 4.19Å; P10-L78 HydrophobicContact CG-CD1 4.13Å; F60-L78 HydrophobicContact CE1-CD2 3.98Å; F60-L78 HydrophobicContact CZ-CD2 3.85Å; M75-L78 HydrophobicContact CB-CD1 4.43Å; M75-L78 HydrophobicContact CB-CD2 3.81Å; M75-L78 HydrophobicContact CB-CG 4.04Å; M75-L78 HydrophobicContact CG-CD2 4.38Å; M75-L78 HydrophobicContact SD-CD2 4.07Å; T76-L78 PolarHBondContact O-N 3.11Å; L78-D82 HydrophobicContact CD2-CB 3.81Å
79	R	91.6	Very high	93.9	Very high	142 Å²	142	60.2 Å²	60.2	54%	0.536	33%	0.325	S	S	.	.			trans	-114.1	165.8	174.6	-57.9	177.3	-179.8	172.9	-1	110.3	E81 D82	R79-E81 VanDerWaalsContact CB-OE2 3.23Å; R79-E81 WeakPolarHBondContact CB-OE2 3.48Å; R79-E81 PolarHBondContact O-N 3.29Å; R79-D82 PolarHBondContact N-OD2 2.99Å; R79-D82 WeakPolarHBondContact O-CB 3.44Å; R79-D82 PolarHBondContact O-N 3.37Å
80	S	90.4	Very high	93.8	Very high	92 Å²	92	63.3 Å²	63.3	64%	0.643	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-51.6	-42.3	173.5	26.8	0	0	0	0	112.1	D82 T83	S80-D82 PolarHBondContact O-N 2.98Å; S80-T83 WeakPolarHBondContact O-CB 3.24Å; S80-T83 PolarHBondContact O-N 3.05Å; S80-T83 VanDerWaalsContact O-N 3.16Å; S80-T83 PolarHBondContact O-OG1 3.42Å; S80-T83 VanDerWaalsContact O-OG1 3.11Å
81	E	90.5	Very high	93.1	Very high	114 Å²	114	69.4 Å²	69.4	53%	0.533	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-67.4	-14.8	-178.8	-51.1	76.7	-123.6	0	0	113.8	R79 T83	R79-E81 VanDerWaalsContact CB-OE2 3.23Å; R79-E81 WeakPolarHBondContact CB-OE2 3.48Å; R79-E81 PolarHBondContact O-N 3.29Å; E81-T83 VanDerWaalsContact C-N 3.31Å
82	D	92.1	Very high	91.7	Very high	5 Å²	5	75.4 Å²	75.4	3%	0.027	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-86.7	-3.6	177.9	-59.3	-49.7	0	0	0	113.2	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact CZ-OD1 3.54Å; R30-D82 IonicContact NH1-OD1 3.13Å; R30-D82 PolarHBondContact NH1-OD1 2.9Å; R59-D82 IonicContact CZ-OD1 3.95Å; R59-D82 IonicContact CZ-OD2 3.32Å; R59-D82 IonicContact NH1-OD1 3.94Å; R59-D82 IonicContact NH1-OD2 2.66Å; R59-D82 PolarHBondContact NH1-OD2 2.84Å; R59-D82 IonicContact NH2-OD1 2.99Å; R59-D82 PolarHBondContact NH2-OD1 3.48Å; R59-D82 IonicContact NH2-OD2 3.09Å; R59-D82 PolarHBondContact NH2-OD2 3.12Å; R59-D82 VanDerWaalsContact NH2-OD2 3.09Å; F60-D82 HydrophobicContact CZ-CB 4.03Å; L78-D82 HydrophobicContact CD2-CB 3.81Å; R79-D82 PolarHBondContact N-OD2 2.99Å; R79-D82 WeakPolarHBondContact O-CB 3.44Å; R79-D82 PolarHBondContact O-N 3.37Å; S80-D82 PolarHBondContact O-N 2.98Å; D82-A84 PolarHBondContact O-N 3.07Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.73Å
83	T	92.1	Very high	91.4	Very high	109 Å²	109	77.2 Å²	77.2	67%	0.669	43%	0.426	S	S	*	.			trans	-71.8	103.7	177.4	-56	0	0	0	0	109.8	S80 E81	S80-T83 WeakPolarHBondContact O-CB 3.24Å; S80-T83 PolarHBondContact O-N 3.05Å; S80-T83 VanDerWaalsContact O-N 3.16Å; S80-T83 PolarHBondContact O-OG1 3.42Å; S80-T83 VanDerWaalsContact O-OG1 3.11Å; E81-T83 VanDerWaalsContact C-N 3.31Å
84	A	94.2	Very high	91.1	Very high	25 Å²	25	81.2 Å²	81.2	21%	0.207	45%	0.449	C	S	.	.	S	Bend	trans	-156.9	166.2	-174.6	0	0	0	0	0	110.2	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.93Å; R30-A84 HydrophobicContact CG-CB 4.2Å; Q31-A84 WeakPolarHBondContact O-CB 3.25Å; A32-A84 HydrophobicContact CB-CB 4.35Å; D82-A84 PolarHBondContact O-N 3.07Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CE2 4.1Å; A84-Y86 VanDerWaalsContact O-CD2 3.25Å; A84-Y86 WeakPolarHBondContact O-CD2 3.36Å; A84-Y86 WeakPolarHBondContact O-CE2 3.39Å
85	M	95	Very high	90.8	Very high	113 Å²	113	82 Å²	82	56%	0.557	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	134.3	163.6	-167.3	58.8	65	0	0	109.3	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.54Å; R30-M85 WeakPolarHBondContact CA-O 3.47Å; Q31-M85 PolarHBondContact N-O 2.66Å; Q31-M85 PolarHBondContact O-N 3.09Å; M85-Y87 HydrophobicContact CB-CE2 3.93Å; M85-Y87 HydrophobicContact CG-CD1 4.49Å; M85-Y87 HydrophobicContact CG-CE1 3.67Å; M85-Y87 HydrophobicContact CG-CE2 3.81Å; M85-Y87 VanDerWaalsContact CG-OH 3.25Å; M85-Y87 WeakPolarHBondContact CG-OH 3.34Å
86	Y	95.9	Very high	90.7	Very high	37 Å²	37	85.7 Å²	85.7	15%	0.145	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.4	-178.3	-73.3	-99.8	0	0	0	110.7	R30 V40 F60 L73 M75 D82 A84	R30-Y86 HydrophobicContact CB-CD1 3.81Å; R30-Y86 HydrophobicContact CB-CE1 3.77Å; R30-Y86 HydrophobicContact CB-CE2 4.5Å; R30-Y86 HydrophobicContact CB-CG 4.2Å; R30-Y86 HydrophobicContact CG-CE1 4.43Å; V40-Y86 HydrophobicContact CG2-CE1 4.28Å; F60-Y86 HydrophobicContact CE2-CE1 4.15Å; L73-Y86 HydrophobicContact CD2-CD1 4Å; L73-Y86 HydrophobicContact CD2-CE1 4.1Å; M75-Y86 HydrophobicContact SD-CE1 4.36Å; M75-Y86 HydrophobicContact SD-CE2 4.47Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.73Å; A84-Y86 HydrophobicContact CB-CE2 4.1Å; A84-Y86 VanDerWaalsContact O-CD2 3.25Å; A84-Y86 WeakPolarHBondContact O-CD2 3.36Å; A84-Y86 WeakPolarHBondContact O-CE2 3.39Å
87	Y	95.6	Very high	90.7	Very high	103 Å²	103	88.1 Å²	88.1	40%	0.404	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.1	-177.7	-52.4	-78.7	0	0	0	110.2	W28 V29 Q31 L37 M85	W28-Y87 WeakPolarHBondContact CA-O 3.47Å; V29-Y87 PolarHBondContact N-O 3.06Å; V29-Y87 PolarHBondContact O-N 3.3Å; V29-Y87 VanDerWaalsContact O-O 3.13Å; Q31-Y87 HydrophobicContact CB-CE2 3.9Å; L37-Y87 HydrophobicContact CD2-CD2 4.1Å; L37-Y87 HydrophobicContact CD2-CE2 4.26Å; M85-Y87 HydrophobicContact CB-CE2 3.93Å; M85-Y87 HydrophobicContact CG-CD1 4.49Å; M85-Y87 HydrophobicContact CG-CE1 3.67Å; M85-Y87 HydrophobicContact CG-CE2 3.81Å; M85-Y87 VanDerWaalsContact CG-OH 3.25Å; M85-Y87 WeakPolarHBondContact CG-OH 3.34Å
88	C	95.2	Very high	90.9	Very high	45 Å²	45	87.7 Å²	87.7	30%	0.304	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	144	167.4	54	0	0	0	0	109.9	C14 H27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.46Å; C14-C88 VanDerWaalsContact CB-CB 3.46Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.48Å; H27-C88 CarbonylContact O-C 3.6Å; H27-C88 VanDerWaalsContact O-CA 3.29Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; W28-C88 HydrophobicContact CZ3-CB 4.48Å; L71-C88 HydrophobicContact CD2-CB 3.98Å
89	A	95.2	Very high	90.9	Very high	43 Å²	43	87.9 Å²	87.9	36%	0.355	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.8	175.3	0	0	0	0	0	110.4	H27	H27-A89 HydrophobicContact CB-CB 4.47Å; H27-A89 PolarHBondContact N-O 3.2Å; H27-A89 PolarHBondContact O-N 3.02Å
90	R	93.8	Very high	90.9	Very high	130 Å²	130	83.7 Å²	83.7	49%	0.491	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	146.1	170	73.7	178.8	-178	-163.7	1	110	F19 M26	F19-R90 HydrophobicContact CE2-CB 4.32Å; F19-R90 HydrophobicContact CZ-CB 4.18Å; M26-R90 HydrophobicContact CE-CB 4.08Å; M26-R90 HydrophobicContact SD-CB 3.85Å
91	R	82.4	Confident	90.9	Very high	146 Å²	146	83 Å²	83	55%	0.551	46%	0.462	S	S	*	.			trans	-66	131.9	165.3	-170.2	176.1	174.8	-177.8	-1.9	108.3	Y24 G25	Y24-R91 WeakPolarHBondContact CD1-O 3.31Å; G25-R91 WeakPolarHBondContact O-CB 3.31Å; G25-R91 PolarHBondContact O-N 3.31Å
92	G	68.6	Low	90.9	Very high	126 Å²	126	80.2 Å²	80.2	100%	1.299	46%	0.455	S	S	*	.			trans	-68.4	0	174.1	0	0	0	0	0	112.7

Retrieved 92 of 92 residues in 20.7 ms (Link to these results)

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