A0A060XKH9_ONCMY Loading...

Cystatin-B

AlphaFold DB , UniProt , Accession A0A060XKH9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500700, Length 99 aa.

						>A0A060XKH9_ONCMY|A0A060XKH9|LOC110500700
MPLCGGTTGPKDATEEVQKICDEMKPHAEQKTGRNFDVFTAKIYKTQLVAGTNFFIKVHVGGEDHVHLRVYKMLPHAGSKLELTSLQESKAHSDPIEYF
					

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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	47.9	Very low	74.6	Confident	226 Å²	226	91.7 Å²	91.7	100%	1.113	57%	0.569	S	S	*	*				0	126.3	0	-63.1	173.5	-110	0	0	107	L3	M1-L3 PolarHBondContact O-N 2.75Å
2	P	54.1	Low	76.5	Confident	110 Å²	110	95.1 Å²	95.1	71%	0.714	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-62.9	125.7	173.1	26.3	-30.6	0	0	0	108.5
3	L	59.4	Low	77.9	Confident	147 Å²	147	90.1 Å²	90.1	77%	0.77	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-70.5	133.9	175.7	-70.8	161.6	0	0	0	108.7	M1 G5 G6	M1-L3 PolarHBondContact O-N 2.75Å; L3-G5 PolarHBondContact O-N 3.09Å; L3-G6 PolarHBondContact O-N 2.94Å
4	C	60.5	Low	79.1	Confident	116 Å²	116	88.1 Å²	88.1	78%	0.784	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	128.8	172.1	-71.6	0	0	0	0	109.7
5	G	65.4	Low	80.2	Confident	41 Å²	41	93.1 Å²	93.1	42%	0.423	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	88.9	-10.1	-176.8	0	0	0	0	0	116	L3 Q47 L48	L3-G5 PolarHBondContact O-N 3.09Å; G5-Q47 PolarHBondContact O-NE2 2.76Å; G5-L48 PolarHBondContact N-O 3.31Å; G5-L48 VanDerWaalsContact N-O 3.15Å
6	G	82.4	Confident	81.1	Confident	37 Å²	37	94.1 Å²	94.1	38%	0.381	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-81.4	144.1	172.2	0	0	0	0	0	112.9	L3	L3-G6 PolarHBondContact O-N 2.94Å
7	T	85.4	Confident	82	Confident	54 Å²	54	88.6 Å²	88.6	33%	0.331	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-81	148.2	168.2	48.6	0	0	0	0	110.6	T46 Q47 F55	T7-T46 CarbonylContact C-O 3.45Å; T7-T46 VanDerWaalsContact CA-O 3.28Å; T7-T46 WeakPolarHBondContact CA-O 3.45Å; T7-Q47 HydrophobicContact CG2-CB 3.98Å; T7-Q47 HydrophobicContact CG2-CG 4.49Å; T7-F55 HydrophobicContact CG2-CD2 4.15Å; T7-F55 HydrophobicContact CG2-CE2 3.92Å
8	T	89.6	Confident	82.9	Confident	41 Å²	41	86.2 Å²	86.2	25%	0.252	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-70.1	165.4	168.3	64.4	0	0	0	0	110.9	K45 T46	T8-K45 VanDerWaalsContact O-CD 3.3Å; T8-K45 WeakPolarHBondContact O-CD 3.43Å; T8-K45 WeakPolarHBondContact O-CG 3.48Å; T8-T46 WeakPolarHBondContact CG2-OG1 3.33Å; T8-T46 PolarHBondContact N-O 3.32Å; T8-T46 PolarHBondContact OG1-N 2.83Å; T8-T46 VanDerWaalsContact OG1-N 3.11Å
9	G	89.4	Confident	83.6	Confident	47 Å²	47	89.3 Å²	89.3	49%	0.485	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-57.9	157.7	162.9	0	0	0	0	0	111.9
10	P	92.4	Very high	84.2	Confident	86 Å²	86	85.1 Å²	85.1	56%	0.558	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-64.1	140.1	176.6	28.6	-32.2	0	0	0	110.5	I43 K45	P10-I43 HydrophobicContact CB-CG2 3.69Å; P10-K45 HydrophobicContact CB-CG 4.39Å
11	K	94.5	Very high	84.7	Confident	104 Å²	104	81 Å²	81	45%	0.452	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.9	178	-63.9	177.4	-178.1	179.9	0	109.9	I43 Y44	K11-I43 CarbonylContact O-C 3.57Å; K11-I43 VanDerWaalsContact O-CA 3.26Å; K11-I43 WeakPolarHBondContact O-CA 3.3Å; K11-I43 WeakPolarHBondContact O-CG2 3.38Å; K11-Y44 HydrophobicContact CB-CD1 3.99Å; K11-Y44 HydrophobicContact CB-CE1 3.54Å; K11-Y44 HydrophobicContact CD-CE1 4.37Å; K11-Y44 PolarHBondContact N-O 2.91Å; K11-Y44 WeakPolarHBondContact O-CD1 3.28Å; K11-Y44 PolarHBondContact O-N 2.84Å
12	D	96.3	Very high	87	Confident	132 Å²	132	74.1 Å²	74.1	71%	0.706	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	139.6	171.6	-60.9	-82.6	0	0	0	111.2	T14 Y44	D12-T14 PolarHBondContact O-N 3.45Å; D12-Y44 WeakPolarHBondContact O-CD1 3.43Å; D12-Y44 WeakPolarHBondContact O-CE1 3.26Å
13	A	95.2	Very high	89	Confident	30 Å²	30	74 Å²	74	25%	0.248	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-61.9	133.9	179.9	0	0	0	0	0	111.2	V17 A41 K42	A13-V17 HydrophobicContact CB-CB 4.34Å; A13-V17 HydrophobicContact CB-CG1 4.11Å; A13-A41 VanDerWaalsContact CB-C 3.48Å; A13-A41 HydrophobicContact CB-CB 3.5Å; A13-A41 WeakPolarHBondContact CB-O 3.49Å; A13-K42 PolarHBondContact N-O 2.94Å
14	T	95.4	Very high	90.8	Very high	63 Å²	63	67.2 Å²	67.2	39%	0.387	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-95.2	170.5	174.3	64.8	0	0	0	0	110.7	D12 E16 V17 Q18 Y44	D12-T14 PolarHBondContact O-N 3.45Å; T14-E16 PolarHBondContact O-N 2.85Å; T14-V17 PolarHBondContact O-N 3.33Å; T14-V17 PolarHBondContact OG1-N 2.98Å; T14-Q18 PolarHBondContact O-N 3.2Å; T14-Y44 HydrophobicContact CG2-CE1 4.46Å
15	E	95.7	Very high	92.4	Very high	163 Å²	163	64.2 Å²	64.2	76%	0.762	36%	0.36	S	S	*	.	H	α-helix	trans	-57.4	-32.1	173.9	-63.9	-177.9	86	0	0	112.8	K19	E15-K19 VanDerWaalsContact O-CG 3.3Å; E15-K19 WeakPolarHBondContact O-CG 3.12Å; E15-K19 PolarHBondContact O-N 3.41Å
16	E	94	Very high	93.9	Very high	109 Å²	109	65.7 Å²	65.7	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-66.1	-44.4	174.4	-174.4	-179.7	81.5	0	0	111.2	T14 Q18 K19 I20	T14-E16 PolarHBondContact O-N 2.85Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 2.8Å; E16-K19 PolarHBondContact O-N 3.44Å; E16-I20 WeakPolarHBondContact O-CG1 3.44Å; E16-I20 PolarHBondContact O-N 2.63Å
17	V	96	Very high	94.5	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-66	-39.3	178.8	176.8	0	0	0	0	110.8	A13 T14 I20 C21 A41 Y44 I56	A13-V17 HydrophobicContact CB-CB 4.34Å; A13-V17 HydrophobicContact CB-CG1 4.11Å; T14-V17 PolarHBondContact O-N 3.33Å; T14-V17 PolarHBondContact OG1-N 2.98Å; V17-I20 WeakPolarHBondContact O-CB 3.18Å; V17-I20 PolarHBondContact O-N 3.28Å; V17-C21 PolarHBondContact O-N 2.69Å; V17-A41 HydrophobicContact CG1-CB 4.09Å; V17-Y44 HydrophobicContact CG1-CG 4.19Å; V17-Y44 HydrophobicContact CG2-CD1 3.9Å; V17-Y44 HydrophobicContact CG2-CD2 3.79Å; V17-Y44 HydrophobicContact CG2-CE1 4.03Å; V17-Y44 HydrophobicContact CG2-CE2 3.9Å; V17-Y44 HydrophobicContact CG2-CG 3.79Å; V17-I56 HydrophobicContact CG1-CB 4.41Å; V17-I56 HydrophobicContact CG1-CD1 3.81Å; V17-I56 HydrophobicContact CG1-CG1 3.91Å; V17-I56 HydrophobicContact CG1-CG2 3.61Å
18	Q	97.6	Very high	94.9	Very high	44 Å²	44	65.8 Å²	65.8	21%	0.206	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-46.9	173.7	-177.9	56.8	54.5	0	0	110.9	T14 E16 I20 C21 D22 F39	T14-Q18 PolarHBondContact O-N 3.2Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 2.8Å; Q18-I20 VanDerWaalsContact C-N 3.3Å; Q18-I20 PolarHBondContact O-N 3.16Å; Q18-C21 CarbonylContact O-C 3.55Å; Q18-C21 WeakPolarHBondContact O-CA 3.38Å; Q18-C21 VanDerWaalsContact O-CB 3.27Å; Q18-C21 WeakPolarHBondContact O-CB 3.31Å; Q18-C21 PolarHBondContact O-N 3.27Å; Q18-D22 WeakPolarHBondContact CG-OD2 3.26Å; Q18-D22 PolarHBondContact NE2-OD1 3.3Å; Q18-D22 PolarHBondContact NE2-OD2 2.58Å; Q18-D22 VanDerWaalsContact NE2-OD2 3.07Å; Q18-D22 PolarHBondContact O-N 2.82Å; Q18-F39 PolarHBondContact NE2-O 3.28Å
19	K	96.6	Very high	95.2	Very high	145 Å²	145	65.8 Å²	65.8	63%	0.63	35%	0.345	S	S	*	.	H	α-helix	trans	-58.6	-39.2	175.7	-73.3	172.9	-176.2	-178.9	0	113.1	E15 E16 C21 D22 E23	E15-K19 VanDerWaalsContact O-CG 3.3Å; E15-K19 WeakPolarHBondContact O-CG 3.12Å; E15-K19 PolarHBondContact O-N 3.41Å; E16-K19 PolarHBondContact O-N 3.44Å; K19-C21 VanDerWaalsContact C-N 3.31Å; K19-D22 PolarHBondContact O-N 2.69Å; K19-E23 PolarHBondContact O-N 3.3Å
20	I	95.7	Very high	95.4	Very high	6 Å²	6	71.1 Å²	71.1	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-43.7	173.4	-66.5	168.3	0	0	0	110.2	E16 V17 Q18 M24 F54 I56 V70 L81	E16-I20 WeakPolarHBondContact O-CG1 3.44Å; E16-I20 PolarHBondContact O-N 2.63Å; V17-I20 WeakPolarHBondContact O-CB 3.18Å; V17-I20 PolarHBondContact O-N 3.28Å; Q18-I20 VanDerWaalsContact C-N 3.3Å; Q18-I20 PolarHBondContact O-N 3.16Å; I20-M24 WeakPolarHBondContact O-CB 3.08Å; I20-M24 VanDerWaalsContact O-CG 3.26Å; I20-M24 WeakPolarHBondContact O-CG 3.23Å; I20-M24 PolarHBondContact O-N 3.15Å; I20-F54 HydrophobicContact CD1-CD1 4.12Å; I20-F54 HydrophobicContact CD1-CD2 4.4Å; I20-F54 HydrophobicContact CD1-CE1 3.98Å; I20-F54 HydrophobicContact CD1-CE2 4.27Å; I20-F54 HydrophobicContact CD1-CG 4.34Å; I20-F54 HydrophobicContact CD1-CZ 4.06Å; I20-I56 HydrophobicContact CB-CD1 4.49Å; I20-I56 HydrophobicContact CG2-CD1 3.99Å; I20-V70 HydrophobicContact CG2-CB 4.03Å; I20-V70 HydrophobicContact CG2-CG1 3.75Å; I20-V70 HydrophobicContact CG2-CG2 4.05Å; I20-L81 HydrophobicContact CB-CD1 4.36Å; I20-L81 HydrophobicContact CG1-CD1 3.83Å; I20-L81 HydrophobicContact CG1-CD2 4.35Å; I20-L81 HydrophobicContact CG2-CD1 4.27Å
21	C	96.1	Very high	95.4	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-44.7	175.2	-74.8	0	0	0	0	112.1	V17 Q18 K19 E23 M24 K25 F39 I56 V58	V17-C21 PolarHBondContact O-N 2.69Å; Q18-C21 CarbonylContact O-C 3.55Å; Q18-C21 WeakPolarHBondContact O-CA 3.38Å; Q18-C21 VanDerWaalsContact O-CB 3.27Å; Q18-C21 WeakPolarHBondContact O-CB 3.31Å; Q18-C21 PolarHBondContact O-N 3.27Å; K19-C21 VanDerWaalsContact C-N 3.31Å; C21-E23 VanDerWaalsContact C-N 3.32Å; C21-E23 PolarHBondContact O-N 3.45Å; C21-M24 CarbonylContact O-C 3.6Å; C21-M24 PolarHBondContact O-N 3.19Å; C21-M24 VanDerWaalsContact O-N 3.09Å; C21-K25 PolarHBondContact O-N 2.85Å; C21-F39 HydrophobicContact CB-CD1 3.98Å; C21-F39 HydrophobicContact CB-CE1 3.78Å; C21-F39 VanDerWaalsContact O-CE1 3.22Å; C21-F39 WeakPolarHBondContact O-CE1 3.47Å; C21-I56 VanDerWaalsContact SG-CG2 3.58Å; C21-V58 HydrophobicContact CB-CG2 4.47Å; C21-V58 WeakPolarHBondContact SG-CG2 3.3Å
22	D	96.2	Very high	95.2	Very high	81 Å²	81	68.8 Å²	68.8	43%	0.433	34%	0.341	S	S	.	.	H	α-helix	trans	-61.3	-40.8	179.2	-66.6	-56.5	0	0	0	111.9	Q18 K19 M24 K25	Q18-D22 WeakPolarHBondContact CG-OD2 3.26Å; Q18-D22 PolarHBondContact NE2-OD1 3.3Å; Q18-D22 PolarHBondContact NE2-OD2 2.58Å; Q18-D22 VanDerWaalsContact NE2-OD2 3.07Å; Q18-D22 PolarHBondContact O-N 2.82Å; K19-D22 PolarHBondContact O-N 2.69Å; D22-M24 VanDerWaalsContact C-N 3.32Å; D22-M24 PolarHBondContact O-N 2.85Å; D22-K25 WeakPolarHBondContact O-CB 3.39Å; D22-K25 PolarHBondContact O-N 3.05Å
23	E	96.1	Very high	95	Very high	108 Å²	108	66 Å²	66	51%	0.505	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-34.3	174.3	-168.8	176.5	94.1	0	0	112.2	K19 C21 P26 L81	K19-E23 PolarHBondContact O-N 3.3Å; C21-E23 VanDerWaalsContact C-N 3.32Å; C21-E23 PolarHBondContact O-N 3.45Å; E23-P26 WeakPolarHBondContact O-CD 3.17Å; E23-L81 WeakPolarHBondContact OE1-CB 3.34Å; E23-L81 VanDerWaalsContact OE1-CD1 3.28Å; E23-L81 WeakPolarHBondContact OE1-CD1 3.27Å
24	M	95.5	Very high	94.7	Very high	4 Å²	4	68 Å²	68	2%	0.02	35%	0.345	C	S	.	.	H	α-helix	trans	-87.3	-10.7	-179.6	-67.8	-59.7	149.6	0	0	114.5	I20 C21 D22 H27 A28 V70 L81 L83	I20-M24 WeakPolarHBondContact O-CB 3.08Å; I20-M24 VanDerWaalsContact O-CG 3.26Å; I20-M24 WeakPolarHBondContact O-CG 3.23Å; I20-M24 PolarHBondContact O-N 3.15Å; C21-M24 CarbonylContact O-C 3.6Å; C21-M24 PolarHBondContact O-N 3.19Å; C21-M24 VanDerWaalsContact O-N 3.09Å; D22-M24 VanDerWaalsContact C-N 3.32Å; D22-M24 PolarHBondContact O-N 2.85Å; M24-H27 WeakPolarHBondContact O-CB 3.18Å; M24-H27 PolarHBondContact O-N 2.94Å; M24-H27 VanDerWaalsContact O-N 3.1Å; M24-A28 PolarHBondContact O-N 2.87Å; M24-V70 HydrophobicContact CB-CG2 4.47Å; M24-V70 HydrophobicContact CE-CG1 4.19Å; M24-V70 HydrophobicContact CG-CG1 3.98Å; M24-V70 HydrophobicContact CG-CG2 3.89Å; M24-V70 HydrophobicContact SD-CG1 4.42Å; M24-L81 HydrophobicContact CE-CB 3.25Å; M24-L81 VanDerWaalsContact CE-O 3.32Å; M24-L81 WeakPolarHBondContact CE-O 3.32Å; M24-L83 HydrophobicContact CG-CB 4.47Å; M24-L83 HydrophobicContact SD-CB 3.69Å
25	K	95.6	Very high	94.6	Very high	53 Å²	53	71.4 Å²	71.4	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-51.1	-52.7	178.3	-174.3	-179.3	179.9	179.8	0	112.8	C21 D22 H27 A28 E29 F36 F39	C21-K25 PolarHBondContact O-N 2.85Å; D22-K25 WeakPolarHBondContact O-CB 3.39Å; D22-K25 PolarHBondContact O-N 3.05Å; K25-H27 VanDerWaalsContact C-N 3.25Å; K25-H27 PolarHBondContact O-N 3.3Å; K25-A28 WeakPolarHBondContact O-CB 3.47Å; K25-A28 PolarHBondContact O-N 3.41Å; K25-E29 WeakPolarHBondContact CE-OE1 3.2Å; K25-E29 HydrophobicContact CG-CG 4.33Å; K25-E29 WeakPolarHBondContact O-CG 3.35Å; K25-E29 PolarHBondContact O-N 2.9Å; K25-F36 WeakPolarHBondContact CE-O 3.27Å; K25-F36 PolarHBondContact NZ-O 2.77Å; K25-F39 HydrophobicContact CB-CD1 3.92Å; K25-F39 HydrophobicContact CB-CE1 3.98Å; K25-F39 HydrophobicContact CB-CG 4.37Å; K25-F39 HydrophobicContact CB-CZ 4.47Å; K25-F39 HydrophobicContact CD-CB 3.97Å; K25-F39 HydrophobicContact CD-CD1 4.37Å; K25-F39 HydrophobicContact CD-CG 4.12Å; K25-F39 HydrophobicContact CG-CB 4.38Å; K25-F39 HydrophobicContact CG-CD1 4.06Å; K25-F39 HydrophobicContact CG-CD2 4.26Å; K25-F39 HydrophobicContact CG-CE1 4.37Å; K25-F39 HydrophobicContact CG-CG 3.98Å
26	P	95.7	Very high	94.4	Very high	71 Å²	71	63.9 Å²	63.9	46%	0.461	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-35.7	179.3	23.2	-35	0	0	0	112.6	E23 Q30	E23-P26 WeakPolarHBondContact O-CD 3.17Å; P26-Q30 VanDerWaalsContact O-CB 3.3Å; P26-Q30 WeakPolarHBondContact O-CB 3.46Å; P26-Q30 PolarHBondContact O-N 2.99Å
27	H	95.3	Very high	94.1	Very high	93 Å²	93	66.4 Å²	66.4	43%	0.431	34%	0.342	S	S	.	.	H	α-helix	trans	-69.4	-36.7	176.2	-65.7	-79.8	0	0	0	112.3	M24 K25 K31 L83	M24-H27 WeakPolarHBondContact O-CB 3.18Å; M24-H27 PolarHBondContact O-N 2.94Å; M24-H27 VanDerWaalsContact O-N 3.1Å; K25-H27 VanDerWaalsContact C-N 3.25Å; K25-H27 PolarHBondContact O-N 3.3Å; H27-K31 WeakPolarHBondContact O-CB 3.28Å; H27-K31 PolarHBondContact O-N 3.28Å; H27-L83 HydrophobicContact CB-CB 4.18Å; H27-L83 HydrophobicContact CB-CD2 3.86Å
28	A	94.4	Very high	94	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-67.6	-46.8	175.5	0	0	0	0	0	111	M24 K25 Q30 K31 T32 F36 F39 L68 L83 L86	M24-A28 PolarHBondContact O-N 2.87Å; K25-A28 WeakPolarHBondContact O-CB 3.47Å; K25-A28 PolarHBondContact O-N 3.41Å; A28-Q30 VanDerWaalsContact C-N 3.34Å; A28-Q30 PolarHBondContact O-N 3.37Å; A28-K31 PolarHBondContact O-N 3Å; A28-T32 WeakPolarHBondContact O-CB 3.32Å; A28-T32 VanDerWaalsContact O-CG2 3.25Å; A28-T32 WeakPolarHBondContact O-CG2 3.5Å; A28-T32 PolarHBondContact O-N 2.98Å; A28-T32 PolarHBondContact O-OG1 2.96Å; A28-F36 HydrophobicContact CB-CE2 4.13Å; A28-F39 HydrophobicContact CB-CE2 4.26Å; A28-F39 HydrophobicContact CB-CZ 3.94Å; A28-L68 HydrophobicContact CB-CD2 4.18Å; A28-L83 HydrophobicContact CB-CD2 4.08Å; A28-L86 HydrophobicContact CB-CD1 3.63Å
29	E	95.1	Very high	94	Very high	41 Å²	41	67.3 Å²	67.3	19%	0.192	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-45	176.1	-67.8	178.3	139.6	0	0	111.2	K25 K31 T32 G33 R34 N35 F36	K25-E29 WeakPolarHBondContact CE-OE1 3.2Å; K25-E29 HydrophobicContact CG-CG 4.33Å; K25-E29 WeakPolarHBondContact O-CG 3.35Å; K25-E29 PolarHBondContact O-N 2.9Å; E29-K31 PolarHBondContact O-N 3.47Å; E29-T32 PolarHBondContact O-N 2.75Å; E29-T32 PolarHBondContact O-OG1 3.25Å; E29-G33 WeakPolarHBondContact O-CA 3.25Å; E29-G33 PolarHBondContact O-N 2.81Å; E29-R34 WeakPolarHBondContact CA-O 3.4Å; E29-R34 VanDerWaalsContact CB-O 3.27Å; E29-R34 WeakPolarHBondContact CB-O 3.4Å; E29-R34 WeakPolarHBondContact CG-O 3.29Å; E29-R34 PolarHBondContact O-N 3.03Å; E29-N35 WeakPolarHBondContact OE1-CA 3.42Å; E29-F36 HydrophobicContact CG-CB 4.45Å; E29-F36 HydrophobicContact CG-CD2 3.46Å; E29-F36 VanDerWaalsContact CG-CD2 3.46Å; E29-F36 HydrophobicContact CG-CE2 4.1Å; E29-F36 HydrophobicContact CG-CG 4.28Å; E29-F36 PolarHBondContact OE1-N 2.85Å
30	Q	94.4	Very high	94	Very high	159 Å²	159	63.1 Å²	63.1	74%	0.743	34%	0.336	S	S	*	.	H	α-helix	trans	-63.2	-41.9	176.7	-174.2	-177.8	-5.7	0	0	112.8	P26 A28 T32	P26-Q30 VanDerWaalsContact O-CB 3.3Å; P26-Q30 WeakPolarHBondContact O-CB 3.46Å; P26-Q30 PolarHBondContact O-N 2.99Å; A28-Q30 VanDerWaalsContact C-N 3.34Å; A28-Q30 PolarHBondContact O-N 3.37Å; Q30-T32 VanDerWaalsContact C-N 3.34Å
31	K	92.1	Very high	94	Very high	116 Å²	116	63.3 Å²	63.3	50%	0.504	34%	0.339	S	S	.	.	H	α-helix	trans	-67.9	-34.3	178.9	-89.9	-172.5	164.5	178.7	0	112.8	H27 A28 E29 L83 T84	H27-K31 WeakPolarHBondContact O-CB 3.28Å; H27-K31 PolarHBondContact O-N 3.28Å; A28-K31 PolarHBondContact O-N 3Å; E29-K31 PolarHBondContact O-N 3.47Å; K31-L83 HydrophobicContact CD-CD2 4.07Å; K31-L83 PolarHBondContact NZ-O 3.46Å; K31-T84 PolarHBondContact NZ-O 3.31Å
32	T	89.8	Confident	94	Very high	25 Å²	25	67.3 Å²	67.3	15%	0.153	36%	0.356	C	S	.	.	H	α-helix	trans	-91.9	-17.7	-176.1	57.1	0	0	0	0	112.9	A28 E29 Q30 R34 F36 L86 E88	A28-T32 WeakPolarHBondContact O-CB 3.32Å; A28-T32 VanDerWaalsContact O-CG2 3.25Å; A28-T32 WeakPolarHBondContact O-CG2 3.5Å; A28-T32 PolarHBondContact O-N 2.98Å; A28-T32 PolarHBondContact O-OG1 2.96Å; E29-T32 PolarHBondContact O-N 2.75Å; E29-T32 PolarHBondContact O-OG1 3.25Å; Q30-T32 VanDerWaalsContact C-N 3.34Å; T32-R34 PolarHBondContact O-N 3.46Å; T32-R34 VanDerWaalsContact OG1-CG 3.29Å; T32-R34 WeakPolarHBondContact OG1-CG 3.17Å; T32-F36 HydrophobicContact CG2-CE2 4.48Å; T32-F36 HydrophobicContact CG2-CZ 4.18Å; T32-L86 HydrophobicContact CG2-CD1 3.8Å; T32-L86 HydrophobicContact CG2-CD2 3.44Å; T32-L86 VanDerWaalsContact CG2-CD2 3.44Å; T32-L86 HydrophobicContact CG2-CG 4.32Å; T32-E88 VanDerWaalsContact CB-OE1 3.26Å; T32-E88 WeakPolarHBondContact CB-OE1 3.46Å; T32-E88 HydrophobicContact CG2-CG 3.83Å; T32-E88 WeakPolarHBondContact CG2-OE1 3.44Å
33	G	92.6	Very high	94	Very high	75 Å²	75	65.7 Å²	65.7	77%	0.773	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	13.4	-174.5	0	0	0	0	0	113.7	E29	E29-G33 WeakPolarHBondContact O-CA 3.25Å; E29-G33 PolarHBondContact O-N 2.81Å
34	R	89.9	Confident	94	Very high	72 Å²	72	62 Å²	62	27%	0.272	33%	0.329	S	S	.	.			trans	-123.1	149.9	176.8	59.3	175.8	173.2	152.9	6.9	111.1	E29 T32 F36 D64 E88	E29-R34 WeakPolarHBondContact CA-O 3.4Å; E29-R34 VanDerWaalsContact CB-O 3.27Å; E29-R34 WeakPolarHBondContact CB-O 3.4Å; E29-R34 WeakPolarHBondContact CG-O 3.29Å; E29-R34 PolarHBondContact O-N 3.03Å; T32-R34 PolarHBondContact O-N 3.46Å; T32-R34 VanDerWaalsContact OG1-CG 3.29Å; T32-R34 WeakPolarHBondContact OG1-CG 3.17Å; R34-F36 HydrophobicContact CG-CE1 3.92Å; R34-F36 HydrophobicContact CG-CE2 4.46Å; R34-F36 HydrophobicContact CG-CZ 3.81Å; R34-F36 VanDerWaalsContact NE-CE1 3.25Å; R34-D64 IonicContact CZ-OD1 3.59Å; R34-D64 IonicContact NH1-OD1 2.85Å; R34-D64 PolarHBondContact NH1-OD1 2.78Å; R34-D64 IonicContact NH2-OD1 3.33Å; R34-D64 PolarHBondContact NH2-OD1 2.88Å; R34-E88 IonicContact CZ-OE1 3.32Å; R34-E88 IonicContact NE-OE1 2.8Å; R34-E88 PolarHBondContact NE-OE1 3.22Å; R34-E88 IonicContact NH2-OE1 3.28Å; R34-E88 PolarHBondContact NH2-OE1 2.93Å
35	N	91.8	Very high	94.1	Very high	133 Å²	133	62.7 Å²	62.7	71%	0.711	33%	0.332	S	S	*	.			trans	-91.1	143.9	171.6	-68.6	3.5	0	0	0	109.7	E29	E29-N35 WeakPolarHBondContact OE1-CA 3.42Å
36	F	91.1	Very high	94	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.026	33%	0.329	C	S	.	.			trans	-109.9	106.1	-179.1	-65.9	-60.7	0	0	0	110.3	K25 A28 E29 T32 R34 V38 F39 V60 V66	K25-F36 WeakPolarHBondContact CE-O 3.27Å; K25-F36 PolarHBondContact NZ-O 2.77Å; A28-F36 HydrophobicContact CB-CE2 4.13Å; E29-F36 HydrophobicContact CG-CB 4.45Å; E29-F36 HydrophobicContact CG-CD2 3.46Å; E29-F36 VanDerWaalsContact CG-CD2 3.46Å; E29-F36 HydrophobicContact CG-CE2 4.1Å; E29-F36 HydrophobicContact CG-CG 4.28Å; E29-F36 PolarHBondContact OE1-N 2.85Å; T32-F36 HydrophobicContact CG2-CE2 4.48Å; T32-F36 HydrophobicContact CG2-CZ 4.18Å; R34-F36 HydrophobicContact CG-CE1 3.92Å; R34-F36 HydrophobicContact CG-CE2 4.46Å; R34-F36 HydrophobicContact CG-CZ 3.81Å; R34-F36 VanDerWaalsContact NE-CE1 3.25Å; F36-V38 VanDerWaalsContact C-N 3.32Å; F36-F39 HydrophobicContact CB-CD2 3.79Å; F36-F39 HydrophobicContact CB-CE2 4.49Å; F36-F39 AromaticContact CD2-CD2 3.79Å; F36-F39 HydrophobicContact CD2-CD2 3.79Å; F36-F39 AromaticContact CD2-CE2 3.61Å; F36-F39 HydrophobicContact CD2-CE2 3.61Å; F36-F39 HydrophobicContact CE2-CE2 4.02Å; F36-F39 AromaticContact CG-CD2 3.84Å; F36-F39 HydrophobicContact CG-CD2 3.84Å; F36-F39 HydrophobicContact CG-CE2 4.09Å; F36-V60 HydrophobicContact CD1-CB 3.6Å; F36-V60 HydrophobicContact CD1-CG1 3.66Å; F36-V60 HydrophobicContact CD1-CG2 4.24Å; F36-V60 HydrophobicContact CE1-CB 3.89Å; F36-V60 HydrophobicContact CE1-CG1 3.81Å; F36-V60 HydrophobicContact CE1-CG2 4.08Å; F36-V60 HydrophobicContact CG-CB 4.45Å; F36-V60 HydrophobicContact CG-CG1 4.19Å; F36-V66 HydrophobicContact CE1-CG1 4.25Å; F36-V66 HydrophobicContact CZ-CG1 4.13Å
37	D	89.3	Confident	93.9	Very high	161 Å²	161	59 Å²	59	86%	0.861	31%	0.311	S	S	*	.	S	Bend	trans	-65.3	-38.3	173.4	-69.5	-83.9	0	0	0	111.8
38	V	94.1	Very high	93.7	Very high	54 Å²	54	58.7 Å²	58.7	33%	0.327	31%	0.312	S	S	.	.			trans	-109.9	136.9	175.3	-176.2	0	0	0	0	108.7	F36 V60	F36-V38 VanDerWaalsContact C-N 3.32Å; V38-V60 VanDerWaalsContact O-CA 3.28Å; V38-V60 WeakPolarHBondContact O-CA 3.39Å
39	F	95.9	Very high	93.5	Very high	11 Å²	11	61.4 Å²	61.4	5%	0.048	33%	0.329	C	S	.	.			trans	-149	70	177.6	-152.6	-103.3	0	0	0	110.8	Q18 C21 K25 A28 F36 V58 V60 V66 L68	Q18-F39 PolarHBondContact NE2-O 3.28Å; C21-F39 HydrophobicContact CB-CD1 3.98Å; C21-F39 HydrophobicContact CB-CE1 3.78Å; C21-F39 VanDerWaalsContact O-CE1 3.22Å; C21-F39 WeakPolarHBondContact O-CE1 3.47Å; K25-F39 HydrophobicContact CB-CD1 3.92Å; K25-F39 HydrophobicContact CB-CE1 3.98Å; K25-F39 HydrophobicContact CB-CG 4.37Å; K25-F39 HydrophobicContact CB-CZ 4.47Å; K25-F39 HydrophobicContact CD-CB 3.97Å; K25-F39 HydrophobicContact CD-CD1 4.37Å; K25-F39 HydrophobicContact CD-CG 4.12Å; K25-F39 HydrophobicContact CG-CB 4.38Å; K25-F39 HydrophobicContact CG-CD1 4.06Å; K25-F39 HydrophobicContact CG-CD2 4.26Å; K25-F39 HydrophobicContact CG-CE1 4.37Å; K25-F39 HydrophobicContact CG-CG 3.98Å; A28-F39 HydrophobicContact CB-CE2 4.26Å; A28-F39 HydrophobicContact CB-CZ 3.94Å; F36-F39 HydrophobicContact CB-CD2 3.79Å; F36-F39 HydrophobicContact CB-CE2 4.49Å; F36-F39 AromaticContact CD2-CD2 3.79Å; F36-F39 HydrophobicContact CD2-CD2 3.79Å; F36-F39 AromaticContact CD2-CE2 3.61Å; F36-F39 HydrophobicContact CD2-CE2 3.61Å; F36-F39 HydrophobicContact CE2-CE2 4.02Å; F36-F39 AromaticContact CG-CD2 3.84Å; F36-F39 HydrophobicContact CG-CD2 3.84Å; F36-F39 HydrophobicContact CG-CE2 4.09Å; F39-V58 HydrophobicContact CB-CG1 4.45Å; F39-V58 HydrophobicContact CD1-CG1 3.83Å; F39-V58 HydrophobicContact CD2-CG1 3.78Å; F39-V58 HydrophobicContact CE1-CG1 3.96Å; F39-V58 HydrophobicContact CE1-CG2 4.47Å; F39-V58 HydrophobicContact CE2-CG1 3.92Å; F39-V58 HydrophobicContact CG-CG1 3.75Å; F39-V58 HydrophobicContact CZ-CG1 4.02Å; F39-V60 HydrophobicContact CD2-CG1 3.84Å; F39-V60 HydrophobicContact CE2-CG1 4.09Å; F39-V66 HydrophobicContact CE2-CG2 4.2Å; F39-L68 HydrophobicContact CE1-CD1 3.98Å; F39-L68 HydrophobicContact CZ-CD1 3.75Å; F39-L68 HydrophobicContact CZ-CD2 4.41Å
40	T	96.7	Very high	93.3	Very high	56 Å²	56	63.1 Å²	63.1	34%	0.344	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.4	-172.6	-53.5	0	0	0	0	111.1	K42 V58 H59	T40-K42 PolarHBondContact O-N 2.91Å; T40-V58 CarbonylContact O-C 3.51Å; T40-V58 WeakPolarHBondContact O-CA 3.44Å; T40-H59 PolarHBondContact N-O 3.11Å; T40-H59 PolarHBondContact O-N 2.9Å
41	A	97.1	Very high	93.1	Very high	10 Å²	10	55.6 Å²	55.6	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.3	172.1	0	0	0	0	0	110.3	A13 V17 I56	A13-A41 VanDerWaalsContact CB-C 3.48Å; A13-A41 HydrophobicContact CB-CB 3.5Å; A13-A41 WeakPolarHBondContact CB-O 3.49Å; V17-A41 HydrophobicContact CG1-CB 4.09Å; A41-I56 HydrophobicContact CB-CG2 3.92Å
42	K	95.7	Very high	93.2	Very high	84 Å²	84	51.9 Å²	51.9	37%	0.365	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-56.1	-178.9	-65.5	-61.7	-174.3	178.6	0	111.8	A13 T40 K57 H59	A13-K42 PolarHBondContact N-O 2.94Å; T40-K42 PolarHBondContact O-N 2.91Å; K42-K57 PolarHBondContact N-O 2.82Å; K42-H59 HydrophobicContact CD-CB 4.46Å; K42-H59 HydrophobicContact CG-CB 3.94Å
43	I	96.3	Very high	93.5	Very high	47 Å²	47	51.1 Å²	51.1	24%	0.241	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.4	-176.7	-61.6	-173.5	0	0	0	108.4	P10 K11 K57 I96	P10-I43 HydrophobicContact CB-CG2 3.69Å; K11-I43 CarbonylContact O-C 3.57Å; K11-I43 VanDerWaalsContact O-CA 3.26Å; K11-I43 WeakPolarHBondContact O-CA 3.3Å; K11-I43 WeakPolarHBondContact O-CG2 3.38Å; I43-K57 HydrophobicContact CB-CB 4.43Å; I43-K57 PolarHBondContact O-N 3.27Å; I43-I96 HydrophobicContact CG2-CG2 3.87Å
44	Y	96.6	Very high	93.7	Very high	32 Å²	32	48.1 Å²	48.1	13%	0.125	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158.8	172.5	79.9	-69.3	0	0	0	113.1	K11 D12 T14 V17 T46 F54 F55	K11-Y44 HydrophobicContact CB-CD1 3.99Å; K11-Y44 HydrophobicContact CB-CE1 3.54Å; K11-Y44 HydrophobicContact CD-CE1 4.37Å; K11-Y44 PolarHBondContact N-O 2.91Å; K11-Y44 WeakPolarHBondContact O-CD1 3.28Å; K11-Y44 PolarHBondContact O-N 2.84Å; D12-Y44 WeakPolarHBondContact O-CD1 3.43Å; D12-Y44 WeakPolarHBondContact O-CE1 3.26Å; T14-Y44 HydrophobicContact CG2-CE1 4.46Å; V17-Y44 HydrophobicContact CG1-CG 4.19Å; V17-Y44 HydrophobicContact CG2-CD1 3.9Å; V17-Y44 HydrophobicContact CG2-CD2 3.79Å; V17-Y44 HydrophobicContact CG2-CE1 4.03Å; V17-Y44 HydrophobicContact CG2-CE2 3.9Å; V17-Y44 HydrophobicContact CG2-CG 3.79Å; Y44-T46 HydrophobicContact CD2-CG2 3.83Å; Y44-T46 HydrophobicContact CE2-CG2 3.71Å; Y44-F54 HydrophobicContact CD2-CD1 4.2Å; Y44-F55 CarbonylContact C-O 3.56Å; Y44-F55 WeakPolarHBondContact CA-O 3.03Å; Y44-F55 WeakPolarHBondContact CB-O 3.43Å
45	K	95.7	Very high	94	Very high	17 Å²	17	44.7 Å²	44.7	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.1	164.7	-69.1	-179.2	179.9	-179.6	0	108.8	T8 P10 F55 I96 E97	T8-K45 VanDerWaalsContact O-CD 3.3Å; T8-K45 WeakPolarHBondContact O-CD 3.43Å; T8-K45 WeakPolarHBondContact O-CG 3.48Å; P10-K45 HydrophobicContact CB-CG 4.39Å; K45-F55 HydrophobicContact CB-CB 4.36Å; K45-F55 PolarHBondContact N-O 2.81Å; K45-F55 PolarHBondContact O-N 2.84Å; K45-I96 HydrophobicContact CD-CG2 4.07Å; K45-I96 WeakPolarHBondContact CD-O 3.28Å; K45-I96 WeakPolarHBondContact CE-O 3.31Å; K45-I96 HydrophobicContact CG-CG2 3.96Å; K45-I96 PolarHBondContact NZ-O 2.81Å; K45-E97 IonicContact NZ-OE1 2.58Å; K45-E97 PolarHBondContact NZ-OE1 3.47Å
46	T	95.3	Very high	94.3	Very high	29 Å²	29	38.4 Å²	38.4	18%	0.178	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	153.3	171.3	59.5	0	0	0	0	111.2	T7 T8 Y44 T52 N53 F54	T7-T46 CarbonylContact C-O 3.45Å; T7-T46 VanDerWaalsContact CA-O 3.28Å; T7-T46 WeakPolarHBondContact CA-O 3.45Å; T8-T46 WeakPolarHBondContact CG2-OG1 3.33Å; T8-T46 PolarHBondContact N-O 3.32Å; T8-T46 PolarHBondContact OG1-N 2.83Å; T8-T46 VanDerWaalsContact OG1-N 3.11Å; Y44-T46 HydrophobicContact CD2-CG2 3.83Å; Y44-T46 HydrophobicContact CE2-CG2 3.71Å; T46-T52 HydrophobicContact CG2-CG2 4.28Å; T46-N53 CarbonylContact C-O 3.43Å; T46-N53 VanDerWaalsContact CA-O 3.22Å; T46-N53 WeakPolarHBondContact CA-O 3.38Å; T46-F54 HydrophobicContact CG2-CD1 3.68Å; T46-F54 HydrophobicContact CG2-CE1 3.69Å; T46-F54 HydrophobicContact CG2-CG 4.32Å; T46-F54 HydrophobicContact CG2-CZ 4.34Å
47	Q	93.6	Very high	94.6	Very high	17 Å²	17	38.5 Å²	38.5	8%	0.079	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.8	172.1	177.6	-169.1	49.8	0	0	108.4	G5 T7 V49 N53 F55	G5-Q47 PolarHBondContact O-NE2 2.76Å; T7-Q47 HydrophobicContact CG2-CB 3.98Å; T7-Q47 HydrophobicContact CG2-CG 4.49Å; Q47-V49 HydrophobicContact CG-CG1 4.17Å; Q47-N53 HydrophobicContact CB-CB 4.22Å; Q47-N53 PolarHBondContact N-O 2.77Å; Q47-N53 PolarHBondContact O-N 2.86Å; Q47-N53 PolarHBondContact OE1-ND2 3.1Å; Q47-F55 HydrophobicContact CB-CE2 3.92Å
48	L	91.2	Very high	94.9	Very high	87 Å²	87	30.8 Å²	30.8	46%	0.455	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.1	177.9	-172.4	66.4	0	0	0	109.9	G5	G5-L48 PolarHBondContact N-O 3.31Å; G5-L48 VanDerWaalsContact N-O 3.15Å
49	V	88.9	Confident	95	Very high	58 Å²	58	29.9 Å²	29.9	35%	0.352	17%	0.167	S	C	.	.	S	Bend	trans	-136.5	-153.1	177.7	-64	0	0	0	0	108.8	Q47 G51 Y71	Q47-V49 HydrophobicContact CG-CG1 4.17Å; V49-G51 CarbonylContact C-O 3.52Å; V49-G51 WeakPolarHBondContact CG2-O 3.47Å; V49-G51 PolarHBondContact N-O 2.93Å; V49-G51 PolarHBondContact O-N 2.99Å; V49-G51 VanDerWaalsContact O-O 3.13Å; V49-Y71 HydrophobicContact CG2-CD2 4.42Å; V49-Y71 HydrophobicContact CG2-CE2 3.8Å
50	A	90.4	Very high	95	Very high	77 Å²	77	30.1 Å²	30.1	64%	0.636	17%	0.17	S	C	*	.	S	Bend	trans	-70.8	42.3	165.8	0	0	0	0	0	112.6	Y71	A50-Y71 PolarHBondContact O-OH 3.07Å
51	G	91.7	Very high	94.7	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	151.8	-161.1	-161.1	0	0	0	0	0	108.6	V49 K72	V49-G51 CarbonylContact C-O 3.52Å; V49-G51 WeakPolarHBondContact CG2-O 3.47Å; V49-G51 PolarHBondContact N-O 2.93Å; V49-G51 PolarHBondContact O-N 2.99Å; V49-G51 VanDerWaalsContact O-O 3.13Å; G51-K72 CarbonylContact C-O 3.54Å; G51-K72 WeakPolarHBondContact CA-O 3.31Å
52	T	93.8	Very high	94.2	Very high	37 Å²	37	31.5 Å²	31.5	23%	0.227	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.8	176	-56.5	0	0	0	0	110.3	T46 F54 K72	T46-T52 HydrophobicContact CG2-CG2 4.28Å; T52-F54 HydrophobicContact CG2-CD2 4.04Å; T52-F54 HydrophobicContact CG2-CE2 3.59Å; T52-F54 HydrophobicContact CG2-CZ 3.99Å; T52-K72 PolarHBondContact N-O 2.78Å; T52-K72 PolarHBondContact O-N 3.04Å
53	N	95.8	Very high	93.8	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134	165.8	-67	-41	0	0	0	109.1	T46 Q47 F55 R69 V70 Y71	T46-N53 CarbonylContact C-O 3.43Å; T46-N53 VanDerWaalsContact CA-O 3.22Å; T46-N53 WeakPolarHBondContact CA-O 3.38Å; Q47-N53 HydrophobicContact CB-CB 4.22Å; Q47-N53 PolarHBondContact N-O 2.77Å; Q47-N53 PolarHBondContact O-N 2.86Å; Q47-N53 PolarHBondContact OE1-ND2 3.1Å; N53-F55 HydrophobicContact CB-CE2 3.81Å; N53-F55 HydrophobicContact CB-CZ 4.18Å; N53-R69 PolarHBondContact ND2-NH2 2.97Å; N53-V70 CarbonylContact C-O 3.52Å; N53-V70 WeakPolarHBondContact CA-O 3.42Å; N53-Y71 WeakPolarHBondContact OD1-CD2 3.34Å
54	F	96.5	Very high	93.5	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.057	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121	169.2	-69.4	-99.7	0	0	0	108.2	I20 Y44 T46 T52 I56 R69 V70 K72	I20-F54 HydrophobicContact CD1-CD1 4.12Å; I20-F54 HydrophobicContact CD1-CD2 4.4Å; I20-F54 HydrophobicContact CD1-CE1 3.98Å; I20-F54 HydrophobicContact CD1-CE2 4.27Å; I20-F54 HydrophobicContact CD1-CG 4.34Å; I20-F54 HydrophobicContact CD1-CZ 4.06Å; Y44-F54 HydrophobicContact CD2-CD1 4.2Å; T46-F54 HydrophobicContact CG2-CD1 3.68Å; T46-F54 HydrophobicContact CG2-CE1 3.69Å; T46-F54 HydrophobicContact CG2-CG 4.32Å; T46-F54 HydrophobicContact CG2-CZ 4.34Å; T52-F54 HydrophobicContact CG2-CD2 4.04Å; T52-F54 HydrophobicContact CG2-CE2 3.59Å; T52-F54 HydrophobicContact CG2-CZ 3.99Å; F54-I56 HydrophobicContact CB-CD1 3.97Å; F54-I56 HydrophobicContact CB-CG1 3.94Å; F54-R69 CarbonylContact O-C 3.56Å; F54-R69 VanDerWaalsContact O-CA 3.31Å; F54-R69 WeakPolarHBondContact O-CA 3.26Å; F54-V70 HydrophobicContact CB-CB 4.38Å; F54-V70 PolarHBondContact N-O 3.05Å; F54-V70 PolarHBondContact O-N 3.25Å; F54-K72 HydrophobicContact CD2-CB 4.21Å; F54-K72 HydrophobicContact CE2-CB 3.74Å; F54-K72 HydrophobicContact CE2-CD 3.84Å; F54-K72 HydrophobicContact CE2-CG 4.45Å; F54-K72 HydrophobicContact CZ-CD 4.27Å
55	F	97	Very high	93.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.8	169.3	-60	-91.2	0	0	0	106.8	T7 Y44 K45 Q47 N53 L68 R69 I96 E97 Y98 F99	T7-F55 HydrophobicContact CG2-CD2 4.15Å; T7-F55 HydrophobicContact CG2-CE2 3.92Å; Y44-F55 CarbonylContact C-O 3.56Å; Y44-F55 WeakPolarHBondContact CA-O 3.03Å; Y44-F55 WeakPolarHBondContact CB-O 3.43Å; K45-F55 HydrophobicContact CB-CB 4.36Å; K45-F55 PolarHBondContact N-O 2.81Å; K45-F55 PolarHBondContact O-N 2.84Å; Q47-F55 HydrophobicContact CB-CE2 3.92Å; N53-F55 HydrophobicContact CB-CE2 3.81Å; N53-F55 HydrophobicContact CB-CZ 4.18Å; F55-L68 CarbonylContact C-O 3.49Å; F55-L68 VanDerWaalsContact CA-O 3.31Å; F55-L68 WeakPolarHBondContact CA-O 3.45Å; F55-R69 HydrophobicContact CD1-CB 4.32Å; F55-R69 HydrophobicContact CD1-CG 4.04Å; F55-R69 HydrophobicContact CE1-CB 4.3Å; F55-R69 HydrophobicContact CE1-CG 3.65Å; F55-R69 HydrophobicContact CZ-CG 4.12Å; F55-I96 HydrophobicContact CB-CD1 3.94Å; F55-I96 HydrophobicContact CB-CG1 3.67Å; F55-E97 WeakPolarHBondContact CD1-O 3.48Å; F55-Y98 HydrophobicContact CE1-CD2 4.04Å; F55-Y98 HydrophobicContact CE1-CG 4.38Å; F55-Y98 HydrophobicContact CE2-CD2 4.27Å; F55-Y98 AromaticContact CZ-CD2 3.43Å; F55-Y98 HydrophobicContact CZ-CD2 3.43Å; F55-Y98 VanDerWaalsContact CZ-CD2 3.43Å; F55-Y98 AromaticContact CZ-CE2 4Å; F55-Y98 HydrophobicContact CZ-CE2 4Å; F55-Y98 HydrophobicContact CZ-CG 4.17Å; F55-F99 HydrophobicContact CD1-CD1 4.12Å; F55-F99 AromaticContact CD1-CE1 3.88Å; F55-F99 HydrophobicContact CD1-CE1 3.88Å; F55-F99 HydrophobicContact CE1-CD1 4.46Å
56	I	97.4	Very high	93.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.9	-169.6	-46.9	166.4	0	0	0	109.1	V17 I20 C21 A41 F54 V58 H67 L68 V70	V17-I56 HydrophobicContact CG1-CB 4.41Å; V17-I56 HydrophobicContact CG1-CD1 3.81Å; V17-I56 HydrophobicContact CG1-CG1 3.91Å; V17-I56 HydrophobicContact CG1-CG2 3.61Å; I20-I56 HydrophobicContact CB-CD1 4.49Å; I20-I56 HydrophobicContact CG2-CD1 3.99Å; C21-I56 VanDerWaalsContact SG-CG2 3.58Å; A41-I56 HydrophobicContact CB-CG2 3.92Å; F54-I56 HydrophobicContact CB-CD1 3.97Å; F54-I56 HydrophobicContact CB-CG1 3.94Å; I56-V58 HydrophobicContact CB-CG2 4.45Å; I56-V58 HydrophobicContact CG2-CG2 3.96Å; I56-H67 CarbonylContact O-C 3.52Å; I56-H67 WeakPolarHBondContact O-CA 3.44Å; I56-L68 HydrophobicContact CB-CB 4.48Å; I56-L68 PolarHBondContact N-O 2.87Å; I56-L68 PolarHBondContact O-N 2.71Å; I56-V70 HydrophobicContact CD1-CG2 4.3Å
57	K	96.9	Very high	93.5	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.035	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121	166.2	176.7	-176.4	-74.1	177.1	0	108.7	K42 I43 H65 H67 H92 D94	K42-K57 PolarHBondContact N-O 2.82Å; I43-K57 HydrophobicContact CB-CB 4.43Å; I43-K57 PolarHBondContact O-N 3.27Å; K57-H65 HydrophobicContact CG-CB 4.26Å; K57-H67 WeakPolarHBondContact CE-NE2 3.22Å; K57-H92 PolarHBondContact NZ-O 2.92Å; K57-D94 WeakPolarHBondContact CE-O 3.45Å; K57-D94 PolarHBondContact NZ-O 3.5Å
58	V	97	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.5	-179.6	-175.2	0	0	0	0	108.8	C21 F39 T40 I56 V60 H65 V66 L68	C21-V58 HydrophobicContact CB-CG2 4.47Å; C21-V58 WeakPolarHBondContact SG-CG2 3.3Å; F39-V58 HydrophobicContact CB-CG1 4.45Å; F39-V58 HydrophobicContact CD1-CG1 3.83Å; F39-V58 HydrophobicContact CD2-CG1 3.78Å; F39-V58 HydrophobicContact CE1-CG1 3.96Å; F39-V58 HydrophobicContact CE1-CG2 4.47Å; F39-V58 HydrophobicContact CE2-CG1 3.92Å; F39-V58 HydrophobicContact CG-CG1 3.75Å; F39-V58 HydrophobicContact CZ-CG1 4.02Å; T40-V58 CarbonylContact O-C 3.51Å; T40-V58 WeakPolarHBondContact O-CA 3.44Å; I56-V58 HydrophobicContact CB-CG2 4.45Å; I56-V58 HydrophobicContact CG2-CG2 3.96Å; V58-V60 HydrophobicContact CG1-CG1 4.24Å; V58-H65 CarbonylContact O-C 3.53Å; V58-H65 WeakPolarHBondContact O-CA 3.39Å; V58-H65 WeakPolarHBondContact O-CB 3.22Å; V58-V66 HydrophobicContact CB-CG2 3.79Å; V58-V66 HydrophobicContact CG1-CG2 4.43Å; V58-V66 PolarHBondContact N-O 3.15Å; V58-V66 PolarHBondContact O-N 2.8Å; V58-L68 HydrophobicContact CG2-CD1 3.69Å; V58-L68 HydrophobicContact CG2-CG 3.95Å
59	H	95.9	Very high	94	Very high	34 Å²	34	29.1 Å²	29.1	16%	0.157	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.5	171.4	176.7	54.9	0	0	0	109.9	T40 K42 G61 G62 D64 H65	T40-H59 PolarHBondContact N-O 3.11Å; T40-H59 PolarHBondContact O-N 2.9Å; K42-H59 HydrophobicContact CD-CB 4.46Å; K42-H59 HydrophobicContact CG-CB 3.94Å; H59-G61 VanDerWaalsContact CE1-CA 3.5Å; H59-G61 WeakPolarHBondContact CE1-CA 3.02Å; H59-G61 PolarHBondContact CE1-N 2.82Å; H59-G61 VanDerWaalsContact CE1-N 3.3Å; H59-G61 PolarHBondContact NE2-N 2.8Å; H59-G62 PolarHBondContact CE1-O 2.87Å; H59-D64 PolarHBondContact ND1-O 2.84Å; H59-H65 AromaticContact ND1-CE1 3.66Å; H59-H65 AromaticContact ND1-NE2 3.66Å
60	V	94.8	Very high	94.4	Very high	17 Å²	17	26.3 Å²	26.3	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	15.6	-174.5	-61.5	0	0	0	0	114.5	F36 V38 F39 V58 D64 V66	F36-V60 HydrophobicContact CD1-CB 3.6Å; F36-V60 HydrophobicContact CD1-CG1 3.66Å; F36-V60 HydrophobicContact CD1-CG2 4.24Å; F36-V60 HydrophobicContact CE1-CB 3.89Å; F36-V60 HydrophobicContact CE1-CG1 3.81Å; F36-V60 HydrophobicContact CE1-CG2 4.08Å; F36-V60 HydrophobicContact CG-CB 4.45Å; F36-V60 HydrophobicContact CG-CG1 4.19Å; V38-V60 VanDerWaalsContact O-CA 3.28Å; V38-V60 WeakPolarHBondContact O-CA 3.39Å; F39-V60 HydrophobicContact CD2-CG1 3.84Å; F39-V60 HydrophobicContact CE2-CG1 4.09Å; V58-V60 HydrophobicContact CG1-CG1 4.24Å; V60-D64 HydrophobicContact CG2-CB 3.87Å; V60-D64 WeakPolarHBondContact CG2-OD1 3.33Å; V60-D64 PolarHBondContact N-O 3.48Å; V60-V66 HydrophobicContact CG1-CB 4.49Å; V60-V66 HydrophobicContact CG1-CG1 4.09Å; V60-V66 HydrophobicContact CG1-CG2 3.72Å; V60-V66 HydrophobicContact CG2-CG1 4.13Å
61	G	91.1	Very high	94.7	Very high	21 Å²	21	25.1 Å²	25.1	22%	0.216	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.5	149.1	177.3	0	0	0	0	0	113.1	H59 E63 D64	H59-G61 VanDerWaalsContact CE1-CA 3.5Å; H59-G61 WeakPolarHBondContact CE1-CA 3.02Å; H59-G61 PolarHBondContact CE1-N 2.82Å; H59-G61 VanDerWaalsContact CE1-N 3.3Å; H59-G61 PolarHBondContact NE2-N 2.8Å; G61-E63 PolarHBondContact O-N 3Å; G61-D64 PolarHBondContact O-N 2.75Å
62	G	87.8	Confident	94.8	Very high	74 Å²	74	27.9 Å²	27.9	76%	0.763	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	-117.7	-177.7	0	0	0	0	0	112.7	H59	H59-G62 PolarHBondContact CE1-O 2.87Å
63	E	86.2	Confident	94.8	Very high	173 Å²	173	28.8 Å²	28.8	81%	0.808	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	3.8	171.9	-61.4	-168.3	109.1	0	0	112.6	G61 H65	G61-E63 PolarHBondContact O-N 3Å; E63-H65 PolarHBondContact O-CE1 2.79Å; E63-H65 PolarHBondContact O-ND1 2.94Å
64	D	91.2	Very high	94.6	Very high	46 Å²	46	31.2 Å²	31.2	25%	0.246	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.2	-175.6	-159.7	-116.6	0	0	0	111.2	R34 H59 V60 G61	R34-D64 IonicContact CZ-OD1 3.59Å; R34-D64 IonicContact NH1-OD1 2.85Å; R34-D64 PolarHBondContact NH1-OD1 2.78Å; R34-D64 IonicContact NH2-OD1 3.33Å; R34-D64 PolarHBondContact NH2-OD1 2.88Å; H59-D64 PolarHBondContact ND1-O 2.84Å; V60-D64 HydrophobicContact CG2-CB 3.87Å; V60-D64 WeakPolarHBondContact CG2-OD1 3.33Å; V60-D64 PolarHBondContact N-O 3.48Å; G61-D64 PolarHBondContact O-N 2.75Å
65	H	94.3	Very high	94.1	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.9	175.9	-60.6	68.5	0	0	0	110.1	K57 V58 H59 E63 K90 H92	K57-H65 HydrophobicContact CG-CB 4.26Å; V58-H65 CarbonylContact O-C 3.53Å; V58-H65 WeakPolarHBondContact O-CA 3.39Å; V58-H65 WeakPolarHBondContact O-CB 3.22Å; H59-H65 AromaticContact ND1-CE1 3.66Å; H59-H65 AromaticContact ND1-NE2 3.66Å; E63-H65 PolarHBondContact O-CE1 2.79Å; E63-H65 PolarHBondContact O-ND1 2.94Å; H65-K90 WeakPolarHBondContact CA-O 3.42Å; H65-K90 HydrophobicContact CB-CB 4.19Å; H65-K90 WeakPolarHBondContact CB-O 3.37Å; H65-K90 PolarHBondContact N-O 3.03Å; H65-K90 WeakPolarHBondContact O-CB 3.4Å; H65-K90 PolarHBondContact O-N 2.91Å; H65-H92 AromaticContact CE1-ND1 3.66Å; H65-H92 AromaticContact NE2-ND1 3.27Å; H65-H92 PolarHBondContact NE2-ND1 3.03Å
66	V	95.5	Very high	93.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.4	168.8	-58.9	0	0	0	0	109.6	F36 F39 V58 V60 L68 Q87	F36-V66 HydrophobicContact CE1-CG1 4.25Å; F36-V66 HydrophobicContact CZ-CG1 4.13Å; F39-V66 HydrophobicContact CE2-CG2 4.2Å; V58-V66 HydrophobicContact CB-CG2 3.79Å; V58-V66 HydrophobicContact CG1-CG2 4.43Å; V58-V66 PolarHBondContact N-O 3.15Å; V58-V66 PolarHBondContact O-N 2.8Å; V60-V66 HydrophobicContact CG1-CB 4.49Å; V60-V66 HydrophobicContact CG1-CG1 4.09Å; V60-V66 HydrophobicContact CG1-CG2 3.72Å; V60-V66 HydrophobicContact CG2-CG1 4.13Å; V66-L68 HydrophobicContact CG2-CD2 4.19Å; V66-Q87 WeakPolarHBondContact CA-O 3.38Å
67	H	97.1	Very high	92.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.7	171.5	-66.3	179	0	0	0	108.8	I56 K57 L86 Q87 P95 I96 F99	I56-H67 CarbonylContact O-C 3.52Å; I56-H67 WeakPolarHBondContact O-CA 3.44Å; K57-H67 WeakPolarHBondContact CE-NE2 3.22Å; H67-L86 CarbonylContact O-C 3.56Å; H67-L86 WeakPolarHBondContact O-CA 3.26Å; H67-Q87 HydrophobicContact CB-CB 4.28Å; H67-Q87 PolarHBondContact N-O 3.05Å; H67-Q87 PolarHBondContact O-N 3.48Å; H67-P95 PolarHBondContact CE1-O 3.2Å; H67-I96 HydrophobicContact CB-CD1 3.63Å; H67-I96 VanDerWaalsContact CG-CD1 3.44Å; H67-F99 HydrophobicContact CB-CE1 3.77Å; H67-F99 HydrophobicContact CB-CZ 3.86Å; H67-F99 WeakPolarHBondContact O-CZ 3.45Å
68	L	97.2	Very high	92.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.7	176.3	-55	-179.4	0	0	0	110.1	A28 F39 F55 I56 V58 V66 V70 L83 L86	A28-L68 HydrophobicContact CB-CD2 4.18Å; F39-L68 HydrophobicContact CE1-CD1 3.98Å; F39-L68 HydrophobicContact CZ-CD1 3.75Å; F39-L68 HydrophobicContact CZ-CD2 4.41Å; F55-L68 CarbonylContact C-O 3.49Å; F55-L68 VanDerWaalsContact CA-O 3.31Å; F55-L68 WeakPolarHBondContact CA-O 3.45Å; I56-L68 HydrophobicContact CB-CB 4.48Å; I56-L68 PolarHBondContact N-O 2.87Å; I56-L68 PolarHBondContact O-N 2.71Å; V58-L68 HydrophobicContact CG2-CD1 3.69Å; V58-L68 HydrophobicContact CG2-CG 3.95Å; V66-L68 HydrophobicContact CG2-CD2 4.19Å; L68-V70 HydrophobicContact CB-CG2 4.2Å; L68-L83 HydrophobicContact CB-CD1 4.03Å; L68-L83 HydrophobicContact CD2-CD1 3.94Å; L68-L83 HydrophobicContact CG-CD1 4.44Å; L68-L86 HydrophobicContact CD2-CB 4.46Å; L68-L86 HydrophobicContact CD2-CD1 3.49Å; L68-L86 VanDerWaalsContact CD2-CD1 3.49Å; L68-L86 HydrophobicContact CD2-CG 3.88Å
69	R	97.3	Very high	91.7	Very high	35 Å²	35	50.4 Å²	50.4	13%	0.132	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	106.7	164.2	-172.5	-174.4	174.4	171.7	-5.7	109.1	N53 F54 F55 T84 S85 Y98 F99	N53-R69 PolarHBondContact ND2-NH2 2.97Å; F54-R69 CarbonylContact O-C 3.56Å; F54-R69 VanDerWaalsContact O-CA 3.31Å; F54-R69 WeakPolarHBondContact O-CA 3.26Å; F55-R69 HydrophobicContact CD1-CB 4.32Å; F55-R69 HydrophobicContact CD1-CG 4.04Å; F55-R69 HydrophobicContact CE1-CB 4.3Å; F55-R69 HydrophobicContact CE1-CG 3.65Å; F55-R69 HydrophobicContact CZ-CG 4.12Å; R69-T84 WeakPolarHBondContact CD-OG1 3.46Å; R69-T84 VanDerWaalsContact CG-OG1 3.26Å; R69-T84 WeakPolarHBondContact CG-OG1 3.38Å; R69-T84 PolarHBondContact O-N 3.01Å; R69-T84 PolarHBondContact O-OG1 3.43Å; R69-S85 PolarHBondContact N-O 2.9Å; R69-S85 PolarHBondContact O-N 2.82Å; R69-Y98 PolarHBondContact NH1-OH 2.9Å; R69-Y98 PolarHBondContact NH2-OH 3.26Å; R69-F99 HydrophobicContact CB-CE2 3.87Å; R69-F99 HydrophobicContact CB-CZ 3.88Å; R69-F99 VanDerWaalsContact CD-O 3.23Å; R69-F99 WeakPolarHBondContact CD-O 3.49Å; R69-F99 PolarHBondContact NH1-O 3.09Å
70	V	97.4	Very high	91.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127	-179.1	-171.9	0	0	0	0	109.6	I20 M24 N53 F54 I56 L68 L81 E82 L83	I20-V70 HydrophobicContact CG2-CB 4.03Å; I20-V70 HydrophobicContact CG2-CG1 3.75Å; I20-V70 HydrophobicContact CG2-CG2 4.05Å; M24-V70 HydrophobicContact CB-CG2 4.47Å; M24-V70 HydrophobicContact CE-CG1 4.19Å; M24-V70 HydrophobicContact CG-CG1 3.98Å; M24-V70 HydrophobicContact CG-CG2 3.89Å; M24-V70 HydrophobicContact SD-CG1 4.42Å; N53-V70 CarbonylContact C-O 3.52Å; N53-V70 WeakPolarHBondContact CA-O 3.42Å; F54-V70 HydrophobicContact CB-CB 4.38Å; F54-V70 PolarHBondContact N-O 3.05Å; F54-V70 PolarHBondContact O-N 3.25Å; I56-V70 HydrophobicContact CD1-CG2 4.3Å; L68-V70 HydrophobicContact CB-CG2 4.2Å; V70-L81 HydrophobicContact CG1-CB 4.17Å; V70-L81 HydrophobicContact CG1-CD2 4.33Å; V70-E82 CarbonylContact C-O 3.45Å; V70-E82 WeakPolarHBondContact CA-O 3.18Å; V70-L83 HydrophobicContact CG2-CD1 4.09Å
71	Y	96.3	Very high	91.6	Very high	52 Å²	52	56.4 Å²	56.4	20%	0.204	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.3	174.4	178	-118.9	0	0	0	110.2	V49 A50 N53 M73 L81 E82	V49-Y71 HydrophobicContact CG2-CD2 4.42Å; V49-Y71 HydrophobicContact CG2-CE2 3.8Å; A50-Y71 PolarHBondContact O-OH 3.07Å; N53-Y71 WeakPolarHBondContact OD1-CD2 3.34Å; Y71-M73 HydrophobicContact CD1-CG 4.19Å; Y71-M73 HydrophobicContact CE1-CG 3.73Å; Y71-L81 CarbonylContact O-C 3.49Å; Y71-L81 WeakPolarHBondContact O-CA 3.49Å; Y71-E82 PolarHBondContact N-O 3.27Å; Y71-E82 PolarHBondContact O-N 3Å
72	K	94.8	Very high	91.8	Very high	58 Å²	58	60.4 Å²	60.4	25%	0.252	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.5	171.8	-173.4	173.2	-175	173.5	0	109.1	G51 T52 F54 L81	G51-K72 CarbonylContact C-O 3.54Å; G51-K72 WeakPolarHBondContact CA-O 3.31Å; T52-K72 PolarHBondContact N-O 2.78Å; T52-K72 PolarHBondContact O-N 3.04Å; F54-K72 HydrophobicContact CD2-CB 4.21Å; F54-K72 HydrophobicContact CE2-CB 3.74Å; F54-K72 HydrophobicContact CE2-CD 3.84Å; F54-K72 HydrophobicContact CE2-CG 4.45Å; F54-K72 HydrophobicContact CZ-CD 4.27Å; K72-L81 HydrophobicContact CB-CD2 3.62Å; K72-L81 HydrophobicContact CD-CD2 3.98Å; K72-L81 HydrophobicContact CG-CD2 3.63Å
73	M	94.3	Very high	92.2	Very high	57 Å²	57	57.5 Å²	57.5	28%	0.281	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-64.5	156.4	174.7	-65.1	-171.5	-177.8	0	0	111.3	Y71 A77 K80	Y71-M73 HydrophobicContact CD1-CG 4.19Å; Y71-M73 HydrophobicContact CE1-CG 3.73Å; M73-A77 HydrophobicContact CB-CB 4.27Å; M73-K80 HydrophobicContact CG-CB 4.31Å; M73-K80 PolarHBondContact N-O 3.22Å; M73-K80 HydrophobicContact SD-CB 3.92Å; M73-K80 HydrophobicContact SD-CD 4.35Å; M73-K80 HydrophobicContact SD-CG 4.44Å
74	L	89.9	Confident	92.6	Very high	59 Å²	59	51.4 Å²	51.4	31%	0.309	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-63.4	154	176	-67.5	171	0	0	0	111.5	H76 A77 G78 S79	L74-H76 VanDerWaalsContact C-N 3.28Å; L74-H76 VanDerWaalsContact CB-CE1 3.48Å; L74-H76 WeakPolarHBondContact CB-CE1 3.45Å; L74-H76 VanDerWaalsContact CD1-CE1 3.42Å; L74-H76 WeakPolarHBondContact CD1-CE1 3.47Å; L74-H76 PolarHBondContact O-N 3.47Å; L74-A77 WeakPolarHBondContact O-CA 3.12Å; L74-A77 WeakPolarHBondContact O-CB 3.47Å; L74-A77 PolarHBondContact O-N 3.04Å; L74-G78 PolarHBondContact O-N 3.48Å; L74-S79 PolarHBondContact O-N 3.09Å
75	P	86.2	Confident	92.8	Very high	102 Å²	102	51 Å²	51	66%	0.662	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-56	-38.4	-176.8	-27.9	35.3	0	0	0	114.6	A77 G78 S79	P75-A77 PolarHBondContact O-N 2.78Å; P75-G78 PolarHBondContact O-N 3.42Å; P75-G78 VanDerWaalsContact O-N 3.09Å; P75-S79 WeakPolarHBondContact CA-OG 3.32Å
76	H	85.9	Confident	92.8	Very high	166 Å²	166	52.5 Å²	52.5	77%	0.769	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-68.7	-17.1	178.1	65.1	-101.2	0	0	0	113.5	L74	L74-H76 VanDerWaalsContact C-N 3.28Å; L74-H76 VanDerWaalsContact CB-CE1 3.48Å; L74-H76 WeakPolarHBondContact CB-CE1 3.45Å; L74-H76 VanDerWaalsContact CD1-CE1 3.42Å; L74-H76 WeakPolarHBondContact CD1-CE1 3.47Å; L74-H76 PolarHBondContact O-N 3.47Å
77	A	83.4	Confident	92.8	Very high	50 Å²	50	55.5 Å²	55.5	41%	0.413	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-98	9.8	175.4	0	0	0	0	0	112.4	M73 L74 P75	M73-A77 HydrophobicContact CB-CB 4.27Å; L74-A77 WeakPolarHBondContact O-CA 3.12Å; L74-A77 WeakPolarHBondContact O-CB 3.47Å; L74-A77 PolarHBondContact O-N 3.04Å; P75-A77 PolarHBondContact O-N 2.78Å
78	G	83.9	Confident	92.6	Very high	52 Å²	52	59.2 Å²	59.2	54%	0.536	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	11.4	173.5	0	0	0	0	0	115.5	L74 P75 K80	L74-G78 PolarHBondContact O-N 3.48Å; P75-G78 PolarHBondContact O-N 3.42Å; P75-G78 VanDerWaalsContact O-N 3.09Å; G78-K80 PolarHBondContact O-N 3.01Å
79	S	85.3	Confident	92	Very high	54 Å²	54	63.8 Å²	63.8	38%	0.378	35%	0.351	S	S	.	.			trans	53	26.4	174.9	-59.4	0	0	0	0	115.2	L74 P75	L74-S79 PolarHBondContact O-N 3.09Å; P75-S79 WeakPolarHBondContact CA-OG 3.32Å
80	K	92.8	Very high	91.7	Very high	141 Å²	141	64.7 Å²	64.7	61%	0.613	36%	0.356	S	S	*	.			trans	-64.1	142.6	-179	-61.8	-177.4	-179.6	-179.7	0	110.7	M73 G78	M73-K80 HydrophobicContact CG-CB 4.31Å; M73-K80 PolarHBondContact N-O 3.22Å; M73-K80 HydrophobicContact SD-CB 3.92Å; M73-K80 HydrophobicContact SD-CD 4.35Å; M73-K80 HydrophobicContact SD-CG 4.44Å; G78-K80 PolarHBondContact O-N 3.01Å
81	L	95.8	Very high	91.2	Very high	37 Å²	37	67 Å²	67	19%	0.194	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.8	174.1	-59.9	170.7	0	0	0	109.2	I20 E23 M24 V70 Y71 K72	I20-L81 HydrophobicContact CB-CD1 4.36Å; I20-L81 HydrophobicContact CG1-CD1 3.83Å; I20-L81 HydrophobicContact CG1-CD2 4.35Å; I20-L81 HydrophobicContact CG2-CD1 4.27Å; E23-L81 WeakPolarHBondContact OE1-CB 3.34Å; E23-L81 VanDerWaalsContact OE1-CD1 3.28Å; E23-L81 WeakPolarHBondContact OE1-CD1 3.27Å; M24-L81 HydrophobicContact CE-CB 3.25Å; M24-L81 VanDerWaalsContact CE-O 3.32Å; M24-L81 WeakPolarHBondContact CE-O 3.32Å; V70-L81 HydrophobicContact CG1-CB 4.17Å; V70-L81 HydrophobicContact CG1-CD2 4.33Å; Y71-L81 CarbonylContact O-C 3.49Å; Y71-L81 WeakPolarHBondContact O-CA 3.49Å; K72-L81 HydrophobicContact CB-CD2 3.62Å; K72-L81 HydrophobicContact CD-CD2 3.98Å; K72-L81 HydrophobicContact CG-CD2 3.63Å
82	E	95.2	Very high	90.6	Very high	104 Å²	104	70.2 Å²	70.2	49%	0.486	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128	178.8	-175.5	179.5	80.7	0	0	111.3	V70 Y71 T84	V70-E82 CarbonylContact C-O 3.45Å; V70-E82 WeakPolarHBondContact CA-O 3.18Å; Y71-E82 PolarHBondContact N-O 3.27Å; Y71-E82 PolarHBondContact O-N 3Å; E82-T84 PolarHBondContact O-N 3.32Å
83	L	96.3	Very high	90.2	Very high	13 Å²	13	72.8 Å²	72.8	7%	0.068	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	88.8	173.4	-177	65.6	0	0	0	111.1	M24 H27 A28 K31 L68 V70 S85 L86	M24-L83 HydrophobicContact CG-CB 4.47Å; M24-L83 HydrophobicContact SD-CB 3.69Å; H27-L83 HydrophobicContact CB-CB 4.18Å; H27-L83 HydrophobicContact CB-CD2 3.86Å; A28-L83 HydrophobicContact CB-CD2 4.08Å; K31-L83 HydrophobicContact CD-CD2 4.07Å; K31-L83 PolarHBondContact NZ-O 3.46Å; L68-L83 HydrophobicContact CB-CD1 4.03Å; L68-L83 HydrophobicContact CD2-CD1 3.94Å; L68-L83 HydrophobicContact CG-CD1 4.44Å; V70-L83 HydrophobicContact CG2-CD1 4.09Å; L83-S85 WeakPolarHBondContact CD1-O 3.32Å; L83-L86 HydrophobicContact CD2-CD1 4.35Å
84	T	94.8	Very high	90	Very high	46 Å²	46	73 Å²	73	28%	0.282	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-50.5	-179.3	55.5	0	0	0	0	112.7	K31 R69 E82	K31-T84 PolarHBondContact NZ-O 3.31Å; R69-T84 WeakPolarHBondContact CD-OG1 3.46Å; R69-T84 VanDerWaalsContact CG-OG1 3.26Å; R69-T84 WeakPolarHBondContact CG-OG1 3.38Å; R69-T84 PolarHBondContact O-N 3.01Å; R69-T84 PolarHBondContact O-OG1 3.43Å; E82-T84 PolarHBondContact O-N 3.32Å
85	S	95.3	Very high	90	Very high	38 Å²	38	74.3 Å²	74.3	27%	0.266	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.5	-177.4	-60.2	0	0	0	0	112.1	R69 L83	R69-S85 PolarHBondContact N-O 2.9Å; R69-S85 PolarHBondContact O-N 2.82Å; L83-S85 WeakPolarHBondContact CD1-O 3.32Å
86	L	94.6	Very high	90.3	Very high	37 Å²	37	69.7 Å²	69.7	19%	0.194	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	139.7	177.8	-177.8	153.2	0	0	0	109.6	A28 T32 H67 L68 L83 E88	A28-L86 HydrophobicContact CB-CD1 3.63Å; T32-L86 HydrophobicContact CG2-CD1 3.8Å; T32-L86 HydrophobicContact CG2-CD2 3.44Å; T32-L86 VanDerWaalsContact CG2-CD2 3.44Å; T32-L86 HydrophobicContact CG2-CG 4.32Å; H67-L86 CarbonylContact O-C 3.56Å; H67-L86 WeakPolarHBondContact O-CA 3.26Å; L68-L86 HydrophobicContact CD2-CB 4.46Å; L68-L86 HydrophobicContact CD2-CD1 3.49Å; L68-L86 VanDerWaalsContact CD2-CD1 3.49Å; L68-L86 HydrophobicContact CD2-CG 3.88Å; L83-L86 HydrophobicContact CD2-CD1 4.35Å; L86-E88 HydrophobicContact CD2-CG 3.38Å
87	Q	95.3	Very high	90.5	Very high	62 Å²	62	66.2 Å²	66.2	29%	0.29	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.8	168.3	-60.9	-178.3	-21.9	0	0	110.2	V66 H67 F99	V66-Q87 WeakPolarHBondContact CA-O 3.38Å; H67-Q87 HydrophobicContact CB-CB 4.28Å; H67-Q87 PolarHBondContact N-O 3.05Å; H67-Q87 PolarHBondContact O-N 3.48Å; Q87-F99 HydrophobicContact CG-CD1 4.4Å; Q87-F99 HydrophobicContact CG-CD2 3.65Å; Q87-F99 HydrophobicContact CG-CE2 3.79Å; Q87-F99 HydrophobicContact CG-CG 3.98Å; Q87-F99 HydrophobicContact CG-CZ 4.25Å
88	E	91.8	Very high	90.8	Very high	81 Å²	81	70 Å²	70	38%	0.379	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	170.9	179.3	-59.8	-169.6	88.1	0	0	112.3	T32 R34 L86 K90	T32-E88 VanDerWaalsContact CB-OE1 3.26Å; T32-E88 WeakPolarHBondContact CB-OE1 3.46Å; T32-E88 HydrophobicContact CG2-CG 3.83Å; T32-E88 WeakPolarHBondContact CG2-OE1 3.44Å; R34-E88 IonicContact CZ-OE1 3.32Å; R34-E88 IonicContact NE-OE1 2.8Å; R34-E88 PolarHBondContact NE-OE1 3.22Å; R34-E88 IonicContact NH2-OE1 3.28Å; R34-E88 PolarHBondContact NH2-OE1 2.93Å; L86-E88 HydrophobicContact CD2-CG 3.38Å; E88-K90 VanDerWaalsContact C-N 3.33Å; E88-K90 PolarHBondContact O-N 3.31Å
89	S	86.3	Confident	91.1	Very high	95 Å²	95	70.2 Å²	70.2	66%	0.664	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.3	46	171.8	-55.6	0	0	0	0	113.3
90	K	90	Very high	91.4	Very high	55 Å²	55	71 Å²	71	24%	0.239	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.4	174	-60.9	-61	-175.1	176.9	0	110.4	H65 E88 D94	H65-K90 WeakPolarHBondContact CA-O 3.42Å; H65-K90 HydrophobicContact CB-CB 4.19Å; H65-K90 WeakPolarHBondContact CB-O 3.37Å; H65-K90 PolarHBondContact N-O 3.03Å; H65-K90 WeakPolarHBondContact O-CB 3.4Å; H65-K90 PolarHBondContact O-N 2.91Å; E88-K90 VanDerWaalsContact C-N 3.33Å; E88-K90 PolarHBondContact O-N 3.31Å; K90-D94 HydrophobicContact CB-CB 4.38Å; K90-D94 HydrophobicContact CD-CB 4.41Å
91	A	86.6	Confident	91.4	Very high	48 Å²	48	67.3 Å²	67.3	40%	0.397	36%	0.363	S	S	.	.			trans	-81.3	159.8	171.9	0	0	0	0	0	110.8	S93 D94	A91-S93 PolarHBondContact O-N 3.27Å; A91-S93 VanDerWaalsContact O-N 3.16Å; A91-D94 WeakPolarHBondContact CB-OD2 3.46Å; A91-D94 PolarHBondContact N-OD2 3Å; A91-D94 WeakPolarHBondContact O-CB 3.3Å; A91-D94 PolarHBondContact O-N 2.84Å; A91-D94 VanDerWaalsContact O-N 3.09Å
92	H	83.4	Confident	91.1	Very high	120 Å²	120	69 Å²	69	56%	0.556	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.6	173.9	-173.6	69	0	0	0	112.7	K57 H65	K57-H92 PolarHBondContact NZ-O 2.92Å; H65-H92 AromaticContact CE1-ND1 3.66Å; H65-H92 AromaticContact NE2-ND1 3.27Å; H65-H92 PolarHBondContact NE2-ND1 3.03Å
93	S	87.8	Confident	90.9	Very high	112 Å²	112	66.9 Å²	66.9	78%	0.783	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.6	-178.9	-160.7	0	0	0	0	113.9	A91	A91-S93 PolarHBondContact O-N 3.27Å; A91-S93 VanDerWaalsContact O-N 3.16Å
94	D	89.4	Confident	90.5	Very high	60 Å²	60	70.3 Å²	70.3	32%	0.321	39%	0.385	S	S	.	.	S	Bend	trans	-63.3	123.8	-176.7	-83.3	-55.3	0	0	0	111.4	K57 K90 A91	K57-D94 WeakPolarHBondContact CE-O 3.45Å; K57-D94 PolarHBondContact NZ-O 3.5Å; K90-D94 HydrophobicContact CB-CB 4.38Å; K90-D94 HydrophobicContact CD-CB 4.41Å; A91-D94 WeakPolarHBondContact CB-OD2 3.46Å; A91-D94 PolarHBondContact N-OD2 3Å; A91-D94 WeakPolarHBondContact O-CB 3.3Å; A91-D94 PolarHBondContact O-N 2.84Å; A91-D94 VanDerWaalsContact O-N 3.09Å
95	P	90.6	Very high	90.2	Very high	88 Å²	88	71.9 Å²	71.9	57%	0.571	39%	0.391	S	S	*	.			trans	-65.2	141.8	178.7	27	-33.5	0	0	0	110.9	H67 E97	H67-P95 PolarHBondContact CE1-O 3.2Å; P95-E97 HydrophobicContact CB-CG 4.23Å; P95-E97 HydrophobicContact CG-CG 4.34Å; P95-E97 PolarHBondContact O-N 3.38Å
96	I	91.3	Very high	89.9	Confident	4 Å²	4	74.4 Å²	74.4	2%	0.021	40%	0.4	C	S	.	.			trans	-79.8	113	169.8	-175.1	67.2	0	0	0	108.2	I43 K45 F55 H67 F99	I43-I96 HydrophobicContact CG2-CG2 3.87Å; K45-I96 HydrophobicContact CD-CG2 4.07Å; K45-I96 WeakPolarHBondContact CD-O 3.28Å; K45-I96 WeakPolarHBondContact CE-O 3.31Å; K45-I96 HydrophobicContact CG-CG2 3.96Å; K45-I96 PolarHBondContact NZ-O 2.81Å; F55-I96 HydrophobicContact CB-CD1 3.94Å; F55-I96 HydrophobicContact CB-CG1 3.67Å; H67-I96 HydrophobicContact CB-CD1 3.63Å; H67-I96 VanDerWaalsContact CG-CD1 3.44Å; I96-F99 HydrophobicContact CD1-CE1 4.19Å
97	E	90.6	Very high	89.5	Confident	94 Å²	94	77.2 Å²	77.2	44%	0.439	42%	0.416	S	S	.	.			trans	-124.7	179	-177.5	-65.8	-62.8	112.9	0	0	110.4	K45 F55 P95 F99	K45-E97 IonicContact NZ-OE1 2.58Å; K45-E97 PolarHBondContact NZ-OE1 3.47Å; F55-E97 WeakPolarHBondContact CD1-O 3.48Å; P95-E97 HydrophobicContact CB-CG 4.23Å; P95-E97 HydrophobicContact CG-CG 4.34Å; P95-E97 PolarHBondContact O-N 3.38Å; E97-F99 VanDerWaalsContact O-CD1 3.31Å; E97-F99 WeakPolarHBondContact O-CD1 3.45Å
98	Y	89.3	Confident	89	Confident	129 Å²	129	78.5 Å²	78.5	51%	0.506	43%	0.427	S	S	.	.			trans	-69.7	137.8	172.4	-179.2	-83	0	0	0	111.1	F55 R69	F55-Y98 HydrophobicContact CE1-CD2 4.04Å; F55-Y98 HydrophobicContact CE1-CG 4.38Å; F55-Y98 HydrophobicContact CE2-CD2 4.27Å; F55-Y98 AromaticContact CZ-CD2 3.43Å; F55-Y98 HydrophobicContact CZ-CD2 3.43Å; F55-Y98 VanDerWaalsContact CZ-CD2 3.43Å; F55-Y98 AromaticContact CZ-CE2 4Å; F55-Y98 HydrophobicContact CZ-CE2 4Å; F55-Y98 HydrophobicContact CZ-CG 4.17Å; R69-Y98 PolarHBondContact NH1-OH 2.9Å; R69-Y98 PolarHBondContact NH2-OH 3.26Å
99	F	91.3	Very high	88.8	Confident	56 Å²	56	78.3 Å²	78.3	25%	0.246	43%	0.431	C	S	.	.			trans	-155.7	0	173.3	62.2	-90.8	0	0	0	112	F55 H67 R69 Q87 I96 E97	F55-F99 HydrophobicContact CD1-CD1 4.12Å; F55-F99 AromaticContact CD1-CE1 3.88Å; F55-F99 HydrophobicContact CD1-CE1 3.88Å; F55-F99 HydrophobicContact CE1-CD1 4.46Å; H67-F99 HydrophobicContact CB-CE1 3.77Å; H67-F99 HydrophobicContact CB-CZ 3.86Å; H67-F99 WeakPolarHBondContact O-CZ 3.45Å; R69-F99 HydrophobicContact CB-CE2 3.87Å; R69-F99 HydrophobicContact CB-CZ 3.88Å; R69-F99 VanDerWaalsContact CD-O 3.23Å; R69-F99 WeakPolarHBondContact CD-O 3.49Å; R69-F99 PolarHBondContact NH1-O 3.09Å; Q87-F99 HydrophobicContact CG-CD1 4.4Å; Q87-F99 HydrophobicContact CG-CD2 3.65Å; Q87-F99 HydrophobicContact CG-CE2 3.79Å; Q87-F99 HydrophobicContact CG-CG 3.98Å; Q87-F99 HydrophobicContact CG-CZ 4.25Å; I96-F99 HydrophobicContact CD1-CE1 4.19Å; E97-F99 VanDerWaalsContact O-CD1 3.31Å; E97-F99 WeakPolarHBondContact O-CD1 3.45Å

Retrieved 99 of 99 residues in 619.4 ms (Link to these results)

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