C4QQC2_SCHMA Loading...

Serine protease

AlphaFold DB , UniProt , Accession C4QQC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 77 aa.

						>C4QQC2_SCHMA|C4QQC2
MDNSGLSFYNSNPDINDYRNTGVGFLVNDQSMITATDFEEVDGRIATIKIHSKAAKQTIYLIGCYAPTESSNDEVSK
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49	Very low	78.7	Confident	209 Å²	209	88.1 Å²	88.1	100%	1.03	48%	0.477	S	S	*	.				0	125.9	0	-77	172.4	169.2	0	0	106.5
2	D	53.9	Low	78.2	Confident	129 Å²	129	84.8 Å²	84.8	69%	0.69	46%	0.459	S	S	*	.			trans	-66.7	141.2	178.8	-148.4	-2.3	0	0	0	108.6	S4 G5	D2-S4 PolarHBondContact O-N 3.26Å; D2-G5 PolarHBondContact O-N 3.49Å
3	N	62.1	Low	77.1	Confident	174 Å²	174	87.2 Å²	87.2	93%	0.93	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	7	-168.3	-122.4	-1.9	0	0	0	113.7
4	S	79.4	Confident	76.4	Confident	70 Å²	70	87.1 Å²	87.1	49%	0.49	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.2	179.9	58.7	0	0	0	0	113.6	D2 L6	D2-S4 PolarHBondContact O-N 3.26Å; S4-L6 PolarHBondContact O-N 3.47Å; S4-L6 PolarHBondContact OG-N 2.85Å
5	G	89.9	Confident	75.4	Confident	25 Å²	25	91.7 Å²	91.7	26%	0.258	50%	0.501	S	S	.	.	S	Bend	trans	68.9	21.5	-169.1	0	0	0	0	0	112.7	D2 N28 D29	D2-G5 PolarHBondContact O-N 3.49Å; G5-N28 PolarHBondContact O-OD1 3.23Å; G5-D29 PolarHBondContact O-N 3.26Å
6	L	91.6	Very high	74.7	Confident	65 Å²	65	92.9 Å²	92.9	34%	0.34	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.9	176.5	-57.5	166.9	0	0	0	108.4	S4 L26 V27 N28	S4-L6 PolarHBondContact O-N 3.47Å; S4-L6 PolarHBondContact OG-N 2.85Å; L6-L26 HydrophobicContact CB-CD2 4.06Å; L6-L26 HydrophobicContact CB-CG 4.46Å; L6-L26 HydrophobicContact CD1-CD2 3.57Å; L6-L26 HydrophobicContact CD2-CD2 4.21Å; L6-L26 HydrophobicContact CG-CD2 4.14Å; L6-V27 CarbonylContact C-O 3.56Å; L6-V27 WeakPolarHBondContact CA-O 3.49Å; L6-N28 HydrophobicContact CD2-CB 3.98Å
7	S	91	Very high	74.2	Confident	21 Å²	21	91.4 Å²	91.4	15%	0.147	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.4	167.7	-69.2	0	0	0	0	109.1	Y9 V27 D29	S7-Y9 VanDerWaalsContact CB-CE2 3.45Å; S7-V27 PolarHBondContact N-O 3.03Å; S7-V27 PolarHBondContact O-N 2.86Å; S7-D29 WeakPolarHBondContact CB-OD1 3.46Å; S7-D29 PolarHBondContact N-OD1 3.42Å; S7-D29 PolarHBondContact OG-OD1 3.42Å
8	F	89.9	Confident	73.5	Confident	121 Å²	121	98.1 Å²	98.1	53%	0.531	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.6	174.4	-176.5	-139	0	0	0	110.4	N10 F25 L26	F8-N10 HydrophobicContact CD1-CB 4.44Å; F8-N10 HydrophobicContact CE1-CB 3.86Å; F8-N10 WeakPolarHBondContact CE1-ND2 3.35Å; F8-N10 HydrophobicContact CE2-CB 4.29Å; F8-N10 HydrophobicContact CZ-CB 3.77Å; F8-F25 WeakPolarHBondContact CA-O 3.35Å; F8-F25 WeakPolarHBondContact CD2-O 2.88Å; F8-L26 HydrophobicContact CB-CD1 4.18Å; F8-L26 HydrophobicContact CD2-CD1 3.7Å; F8-L26 HydrophobicContact CE2-CD1 4.35Å; F8-L26 HydrophobicContact CG-CD1 4.11Å
9	Y	90.9	Very high	73	Confident	52 Å²	52	98.2 Å²	98.2	20%	0.204	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.1	177	-60.4	-92.9	0	0	0	108.4	S7 G24 F25 V27 M32 A35 F38 I48	S7-Y9 VanDerWaalsContact CB-CE2 3.45Å; Y9-G24 CarbonylContact O-C 3.55Å; Y9-G24 WeakPolarHBondContact O-CA 3.49Å; Y9-F25 PolarHBondContact N-O 3.18Å; Y9-F25 PolarHBondContact O-N 3.34Å; Y9-V27 HydrophobicContact CD2-CB 4.48Å; Y9-V27 HydrophobicContact CD2-CG2 3.89Å; Y9-V27 HydrophobicContact CE2-CB 4.07Å; Y9-V27 HydrophobicContact CE2-CG2 3.88Å; Y9-M32 WeakPolarHBondContact OH-CE 3.13Å; Y9-A35 HydrophobicContact CE1-CB 3.92Å; Y9-A35 HydrophobicContact CE2-CB 4.07Å; Y9-F38 HydrophobicContact CD1-CB 4.31Å; Y9-F38 WeakPolarHBondContact O-CE2 3.23Å; Y9-I48 HydrophobicContact CD1-CD1 3.83Å; Y9-I48 HydrophobicContact CD2-CD1 3.7Å; Y9-I48 HydrophobicContact CE1-CD1 4.29Å; Y9-I48 HydrophobicContact CE2-CD1 4.18Å; Y9-I48 HydrophobicContact CG-CD1 3.53Å
10	N	87.7	Confident	72.5	Confident	57 Å²	57	102 Å²	102	31%	0.305	53%	0.531	S	S	.	.			trans	-135.3	165.1	172.1	81.6	13.6	0	0	0	108.9	F8 N12 F38	F8-N10 HydrophobicContact CD1-CB 4.44Å; F8-N10 HydrophobicContact CE1-CB 3.86Å; F8-N10 WeakPolarHBondContact CE1-ND2 3.35Å; F8-N10 HydrophobicContact CE2-CB 4.29Å; F8-N10 HydrophobicContact CZ-CB 3.77Å; N10-N12 VanDerWaalsContact CG-O 3.24Å; N10-N12 PolarHBondContact ND2-O 2.86Å; N10-N12 PolarHBondContact OD1-N 3.49Å; N10-N12 PolarHBondContact OD1-O 3.41Å; N10-F38 VanDerWaalsContact CA-CZ 3.48Å; N10-F38 VanDerWaalsContact O-CE1 3.27Å; N10-F38 WeakPolarHBondContact O-CE1 3.19Å
11	S	80.8	Confident	72.2	Confident	46 Å²	46	99.2 Å²	99.2	32%	0.322	52%	0.518	S	S	.	.	S	Bend	trans	-94	-13.4	179.7	43.2	0	0	0	0	113.8	E40	S11-E40 WeakPolarHBondContact CB-OE2 3.49Å; S11-E40 WeakPolarHBondContact OG-CB 3.37Å; S11-E40 VanDerWaalsContact OG-CD 3.25Å; S11-E40 PolarHBondContact OG-OE2 2.81Å
12	N	72.3	Confident	73.7	Confident	48 Å²	48	91.7 Å²	91.7	26%	0.257	49%	0.494	S	S	.	.			trans	-125.7	107	170	-154	-11.3	0	0	0	113.1	N10 D14 D17 R19	N10-N12 VanDerWaalsContact CG-O 3.24Å; N10-N12 PolarHBondContact ND2-O 2.86Å; N10-N12 PolarHBondContact OD1-N 3.49Å; N10-N12 PolarHBondContact OD1-O 3.41Å; N12-D14 PolarHBondContact O-N 2.62Å; N12-D14 WeakPolarHBondContact OD1-CB 3.35Å; N12-D14 PolarHBondContact OD1-N 3.46Å; N12-D17 VanDerWaalsContact ND2-CB 3.32Å; N12-D17 WeakPolarHBondContact ND2-CB 3.21Å; N12-D17 VanDerWaalsContact ND2-CG 3.33Å; N12-D17 PolarHBondContact ND2-OD2 2.83Å; N12-R19 PolarHBondContact ND2-NH2 2.99Å; N12-R19 VanDerWaalsContact ND2-NH2 3.12Å
13	P	63.8	Low	75.4	Confident	116 Å²	116	86.8 Å²	86.8	75%	0.753	47%	0.469	S	S	*	.			trans	-75.8	-7.7	173.3	31.2	-34	0	0	0	113	I15	P13-I15 PolarHBondContact O-N 3.39Å; P13-I15 VanDerWaalsContact O-N 3.16Å
14	D	67.8	Low	76.8	Confident	86 Å²	86	79.9 Å²	79.9	46%	0.46	44%	0.439	S	S	.	.			trans	-72.5	108.6	178.7	-163	-14.1	0	0	0	110.9	N12 N16 D17	N12-D14 PolarHBondContact O-N 2.62Å; N12-D14 WeakPolarHBondContact OD1-CB 3.35Å; N12-D14 PolarHBondContact OD1-N 3.46Å; D14-N16 PolarHBondContact O-N 3.17Å; D14-N16 VanDerWaalsContact O-N 3.11Å; D14-N16 WeakPolarHBondContact OD1-CB 3.47Å; D14-N16 PolarHBondContact OD1-N 2.9Å; D14-N16 PolarHBondContact OD1-ND2 2.93Å; D14-D17 HydrophobicContact CB-CB 4.35Å; D14-D17 PolarHBondContact O-N 3.38Å
15	I	60.8	Low	77.4	Confident	156 Å²	156	77.9 Å²	77.9	80%	0.8	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.4	178.8	-157.5	159.2	0	0	0	112.9	P13	P13-I15 PolarHBondContact O-N 3.39Å; P13-I15 VanDerWaalsContact O-N 3.16Å
16	N	64.3	Low	77.6	Confident	112 Å²	112	82.2 Å²	82.2	60%	0.599	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-0.5	177.1	-54.9	-65.4	0	0	0	113.3	D14 Y18	D14-N16 PolarHBondContact O-N 3.17Å; D14-N16 VanDerWaalsContact O-N 3.11Å; D14-N16 WeakPolarHBondContact OD1-CB 3.47Å; D14-N16 PolarHBondContact OD1-N 2.9Å; D14-N16 PolarHBondContact OD1-ND2 2.93Å; N16-Y18 WeakPolarHBondContact O-CD2 3.27Å; N16-Y18 PolarHBondContact O-N 2.65Å
17	D	66.6	Low	77.6	Confident	66 Å²	66	79.6 Å²	79.6	35%	0.353	42%	0.424	S	S	.	.			trans	-79	89.4	175	-168.7	6.8	0	0	0	110.7	N12 D14 R19	N12-D17 VanDerWaalsContact ND2-CB 3.32Å; N12-D17 WeakPolarHBondContact ND2-CB 3.21Å; N12-D17 VanDerWaalsContact ND2-CG 3.33Å; N12-D17 PolarHBondContact ND2-OD2 2.83Å; D14-D17 HydrophobicContact CB-CB 4.35Å; D14-D17 PolarHBondContact O-N 3.38Å; D17-R19 PolarHBondContact O-N 2.91Å; D17-R19 VanDerWaalsContact OD1-CG 3.28Å; D17-R19 WeakPolarHBondContact OD1-CG 3.34Å; D17-R19 IonicContact OD1-NE 3.88Å; D17-R19 IonicContact OD2-CZ 3.23Å; D17-R19 VanDerWaalsContact OD2-CZ 3.23Å; D17-R19 IonicContact OD2-NE 2.66Å; D17-R19 PolarHBondContact OD2-NE 2.89Å; D17-R19 IonicContact OD2-NH2 2.97Å; D17-R19 PolarHBondContact OD2-NH2 3.38Å
18	Y	60.7	Low	77.7	Confident	212 Å²	212	81.9 Å²	81.9	83%	0.831	44%	0.435	S	S	*	.			trans	-75.2	72.4	172.5	-73.8	-86	0	0	0	110.9	N16	N16-Y18 WeakPolarHBondContact O-CD2 3.27Å; N16-Y18 PolarHBondContact O-N 2.65Å
19	R	64.1	Low	77.7	Confident	100 Å²	100	78 Å²	78	38%	0.377	42%	0.42	S	S	.	.			trans	-80.5	133.3	163.8	-57.6	-171.2	-156.7	163.3	9.6	109.4	N12 D17 T21 E40	N12-R19 PolarHBondContact ND2-NH2 2.99Å; N12-R19 VanDerWaalsContact ND2-NH2 3.12Å; D17-R19 PolarHBondContact O-N 2.91Å; D17-R19 VanDerWaalsContact OD1-CG 3.28Å; D17-R19 WeakPolarHBondContact OD1-CG 3.34Å; D17-R19 IonicContact OD1-NE 3.88Å; D17-R19 IonicContact OD2-CZ 3.23Å; D17-R19 VanDerWaalsContact OD2-CZ 3.23Å; D17-R19 IonicContact OD2-NE 2.66Å; D17-R19 PolarHBondContact OD2-NE 2.89Å; D17-R19 IonicContact OD2-NH2 2.97Å; D17-R19 PolarHBondContact OD2-NH2 3.38Å; R19-T21 WeakPolarHBondContact CB-O 3.3Å; R19-T21 PolarHBondContact O-N 3.05Å; R19-T21 VanDerWaalsContact O-N 3.1Å; R19-E40 IonicContact NH1-OE1 3.04Å; R19-E40 PolarHBondContact NH1-OE1 2.9Å; R19-E40 IonicContact NH1-OE2 3Å; R19-E40 PolarHBondContact NH1-OE2 2.84Å
20	N	63.5	Low	77.7	Confident	175 Å²	175	83.1 Å²	83.1	94%	0.936	45%	0.446	S	S	*	.	S	Bend	trans	-69.4	3.6	166.6	-87.6	-14.7	0	0	0	113
21	T	66.4	Low	77.8	Confident	44 Å²	44	83 Å²	83	27%	0.27	45%	0.449	S	S	.	.			trans	-139.9	155.1	-178.4	58.8	0	0	0	0	109	R19 G43 R44	R19-T21 WeakPolarHBondContact CB-O 3.3Å; R19-T21 PolarHBondContact O-N 3.05Å; R19-T21 VanDerWaalsContact O-N 3.1Å; T21-G43 WeakPolarHBondContact CB-O 3.28Å; T21-R44 HydrophobicContact CG2-CG 4.35Å
22	G	81	Confident	78.3	Confident	50 Å²	50	81.9 Å²	81.9	52%	0.515	44%	0.439	S	S	.	.			trans	166.9	145.6	173.2	0	0	0	0	0	110.2	G43	G22-G43 VanDerWaalsContact CA-O 3.31Å; G22-G43 WeakPolarHBondContact CA-O 3.14Å; G22-G43 PolarHBondContact N-O 2.98Å; G22-G43 VanDerWaalsContact N-O 3.12Å
23	V	88.7	Confident	79.2	Confident	27 Å²	27	85.4 Å²	85.4	16%	0.164	46%	0.457	C	S	.	.			trans	-135.5	142.3	174.1	60.2	0	0	0	0	108.9	R44 I45 A46	V23-R44 VanDerWaalsContact CG1-C 3.47Å; V23-I45 VanDerWaalsContact CG1-C 3.45Å; V23-A46 HydrophobicContact CG1-CB 3.61Å; V23-A46 VanDerWaalsContact CG1-N 3.31Å
24	G	90.8	Very high	80.7	Confident	29 Å²	29	82.4 Å²	82.4	30%	0.299	44%	0.436	S	S	.	.			trans	-158.3	172.5	179.1	0	0	0	0	0	110.1	Y9	Y9-G24 CarbonylContact O-C 3.55Å; Y9-G24 WeakPolarHBondContact O-CA 3.49Å
25	F	93.4	Very high	82	Confident	27 Å²	27	79.1 Å²	79.1	12%	0.118	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128	-178.8	-62.3	-89	0	0	0	110.3	F8 Y9 V27 F38 A46 I48 L61 G63	F8-F25 WeakPolarHBondContact CA-O 3.35Å; F8-F25 WeakPolarHBondContact CD2-O 2.88Å; Y9-F25 PolarHBondContact N-O 3.18Å; Y9-F25 PolarHBondContact O-N 3.34Å; F25-V27 HydrophobicContact CB-CG2 4.11Å; F25-F38 HydrophobicContact CD2-CD2 4.12Å; F25-F38 HydrophobicContact CD2-CE2 4.07Å; F25-F38 HydrophobicContact CE2-CE2 4.44Å; F25-A46 HydrophobicContact CE2-CB 3.99Å; F25-I48 HydrophobicContact CB-CD1 4.44Å; F25-I48 HydrophobicContact CB-CG2 4.42Å; F25-I48 HydrophobicContact CD1-CG2 3.85Å; F25-I48 HydrophobicContact CD2-CB 3.95Å; F25-I48 HydrophobicContact CD2-CD1 4.49Å; F25-I48 HydrophobicContact CD2-CG2 3.57Å; F25-I48 HydrophobicContact CE1-CG2 3.88Å; F25-I48 HydrophobicContact CE2-CB 3.96Å; F25-I48 HydrophobicContact CE2-CG2 3.59Å; F25-I48 HydrophobicContact CG-CB 4.47Å; F25-I48 HydrophobicContact CG-CG2 3.68Å; F25-I48 HydrophobicContact CZ-CB 4.49Å; F25-I48 HydrophobicContact CZ-CG2 3.72Å; F25-L61 HydrophobicContact CD1-CB 4.5Å; F25-L61 HydrophobicContact CD1-CD1 4.43Å; F25-L61 HydrophobicContact CE1-CB 3.73Å; F25-L61 HydrophobicContact CE1-CD1 4.41Å; F25-L61 HydrophobicContact CZ-CB 4.13Å; F25-G63 VanDerWaalsContact CZ-N 3.29Å
26	L	92.8	Very high	83.6	Confident	117 Å²	117	74.7 Å²	74.7	61%	0.613	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.2	164.9	-135.4	103.2	0	0	0	107.6	L6 F8	L6-L26 HydrophobicContact CB-CD2 4.06Å; L6-L26 HydrophobicContact CB-CG 4.46Å; L6-L26 HydrophobicContact CD1-CD2 3.57Å; L6-L26 HydrophobicContact CD2-CD2 4.21Å; L6-L26 HydrophobicContact CG-CD2 4.14Å; F8-L26 HydrophobicContact CB-CD1 4.18Å; F8-L26 HydrophobicContact CD2-CD1 3.7Å; F8-L26 HydrophobicContact CE2-CD1 4.35Å; F8-L26 HydrophobicContact CG-CD1 4.11Å
27	V	92.5	Very high	85	Confident	10 Å²	10	73.8 Å²	73.8	6%	0.061	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.7	-176.4	-172.8	0	0	0	0	109.7	L6 S7 Y9 F25 D29 M32 I50	L6-V27 CarbonylContact C-O 3.56Å; L6-V27 WeakPolarHBondContact CA-O 3.49Å; S7-V27 PolarHBondContact N-O 3.03Å; S7-V27 PolarHBondContact O-N 2.86Å; Y9-V27 HydrophobicContact CD2-CB 4.48Å; Y9-V27 HydrophobicContact CD2-CG2 3.89Å; Y9-V27 HydrophobicContact CE2-CB 4.07Å; Y9-V27 HydrophobicContact CE2-CG2 3.88Å; F25-V27 HydrophobicContact CB-CG2 4.11Å; V27-D29 PolarHBondContact O-N 2.89Å; V27-M32 HydrophobicContact CB-SD 4.27Å; V27-M32 HydrophobicContact CG1-CB 3.93Å; V27-M32 HydrophobicContact CG1-CE 4.45Å; V27-M32 HydrophobicContact CG1-CG 4.33Å; V27-M32 HydrophobicContact CG1-SD 3.58Å; V27-M32 VanDerWaalsContact CG1-SD 3.58Å; V27-I50 HydrophobicContact CB-CD1 4.41Å; V27-I50 HydrophobicContact CG1-CD1 3.85Å; V27-I50 HydrophobicContact CG2-CD1 3.61Å
28	N	92.1	Very high	86.4	Confident	69 Å²	69	73.1 Å²	73.1	37%	0.369	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.4	173.9	-177.7	-27.5	0	0	0	110.6	G5 L6 Q30 S31 M32	G5-N28 PolarHBondContact O-OD1 3.23Å; L6-N28 HydrophobicContact CD2-CB 3.98Å; N28-Q30 PolarHBondContact O-N 2.78Å; N28-Q30 VanDerWaalsContact O-N 3.17Å; N28-Q30 VanDerWaalsContact OD1-CB 3.23Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.32Å; N28-Q30 WeakPolarHBondContact OD1-CG 3.23Å; N28-Q30 PolarHBondContact OD1-N 2.73Å; N28-S31 WeakPolarHBondContact O-CB 3.35Å; N28-S31 PolarHBondContact O-N 2.91Å; N28-S31 PolarHBondContact O-OG 3.06Å; N28-M32 PolarHBondContact O-N 3.04Å
29	D	91	Very high	88	Confident	40 Å²	40	68.7 Å²	68.7	21%	0.214	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25	-177.8	-63.3	-22.2	0	0	0	112.4	G5 S7 V27 S31	G5-D29 PolarHBondContact O-N 3.26Å; S7-D29 WeakPolarHBondContact CB-OD1 3.46Å; S7-D29 PolarHBondContact N-OD1 3.42Å; S7-D29 PolarHBondContact OG-OD1 3.42Å; V27-D29 PolarHBondContact O-N 2.89Å; D29-S31 VanDerWaalsContact C-N 3.31Å
30	Q	91.5	Very high	89.3	Confident	159 Å²	159	66.6 Å²	66.6	74%	0.743	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-25.6	175.2	-58	-174.2	-11.3	0	0	112.7	N28	N28-Q30 PolarHBondContact O-N 2.78Å; N28-Q30 VanDerWaalsContact O-N 3.17Å; N28-Q30 VanDerWaalsContact OD1-CB 3.23Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.32Å; N28-Q30 WeakPolarHBondContact OD1-CG 3.23Å; N28-Q30 PolarHBondContact OD1-N 2.73Å
31	S	89.4	Confident	90.7	Very high	54 Å²	54	62.3 Å²	62.3	38%	0.378	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-14.2	-178.8	73.5	0	0	0	0	113.2	N28 D29 K53	N28-S31 WeakPolarHBondContact O-CB 3.35Å; N28-S31 PolarHBondContact O-N 2.91Å; N28-S31 PolarHBondContact O-OG 3.06Å; D29-S31 VanDerWaalsContact C-N 3.31Å; S31-K53 PolarHBondContact O-N 2.82Å
32	M	91.9	Very high	91.7	Very high	22 Å²	22	63.9 Å²	63.9	11%	0.108	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.2	-168.4	175.3	-179.6	79.5	0	0	111	Y9 V27 N28 T34 A35 I50	Y9-M32 WeakPolarHBondContact OH-CE 3.13Å; V27-M32 HydrophobicContact CB-SD 4.27Å; V27-M32 HydrophobicContact CG1-CB 3.93Å; V27-M32 HydrophobicContact CG1-CE 4.45Å; V27-M32 HydrophobicContact CG1-CG 4.33Å; V27-M32 HydrophobicContact CG1-SD 3.58Å; V27-M32 VanDerWaalsContact CG1-SD 3.58Å; N28-M32 PolarHBondContact O-N 3.04Å; M32-T34 VanDerWaalsContact CG-O 3.3Å; M32-T34 WeakPolarHBondContact CG-O 3.47Å; M32-T34 VanDerWaalsContact SD-C 3.55Å; M32-A35 HydrophobicContact CE-CB 4.28Å; M32-A35 HydrophobicContact SD-CB 3.27Å; M32-A35 WeakPolarHBondContact SD-CB 2.93Å; M32-A35 PolarHBondContact SD-N 3.11Å; M32-A35 VanDerWaalsContact SD-N 3.38Å; M32-I50 HydrophobicContact CB-CG2 4.13Å; M32-I50 HydrophobicContact CG-CG2 3.79Å; M32-I50 HydrophobicContact SD-CG2 4.22Å
33	I	91.3	Very high	91.9	Very high	122 Å²	122	62.5 Å²	62.5	63%	0.626	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	-48.1	166.6	-59.8	174.3	0	0	0	109.2	H51 K53	I33-H51 HydrophobicContact CB-CB 4.18Å; I33-H51 PolarHBondContact N-O 3Å; I33-K53 HydrophobicContact CG1-CB 4.06Å; I33-K53 HydrophobicContact CG1-CG 4.39Å
34	T	94.2	Very high	91.9	Very high	54 Å²	54	65.3 Å²	65.3	33%	0.331	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.4	174.8	-174.2	0	0	0	0	109.8	M32 T36 H51	M32-T34 VanDerWaalsContact CG-O 3.3Å; M32-T34 WeakPolarHBondContact CG-O 3.47Å; M32-T34 VanDerWaalsContact SD-C 3.55Å; T34-T36 HydrophobicContact CG2-CG2 4.33Å; T34-H51 HydrophobicContact CG2-CB 3.87Å; T34-H51 PolarHBondContact O-N 3.02Å
35	A	94.3	Very high	91.9	Very high	16 Å²	16	66.7 Å²	66.7	13%	0.132	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.1	161.5	0	0	0	0	0	109	Y9 M32 I48 K49 I50	Y9-A35 HydrophobicContact CE1-CB 3.92Å; Y9-A35 HydrophobicContact CE2-CB 4.07Å; M32-A35 HydrophobicContact CE-CB 4.28Å; M32-A35 HydrophobicContact SD-CB 3.27Å; M32-A35 WeakPolarHBondContact SD-CB 2.93Å; M32-A35 PolarHBondContact SD-N 3.11Å; M32-A35 VanDerWaalsContact SD-N 3.38Å; A35-I48 HydrophobicContact CB-CD1 3.77Å; A35-I48 HydrophobicContact CB-CG1 4.17Å; A35-K49 CarbonylContact C-O 3.59Å; A35-K49 WeakPolarHBondContact CA-O 3.4Å; A35-I50 HydrophobicContact CB-CG1 4.38Å
36	T	95	Very high	92	Very high	63 Å²	63	65.4 Å²	65.4	39%	0.387	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	169.5	-178.2	64.6	0	0	0	0	109.5	T34 F38 K49	T34-T36 HydrophobicContact CG2-CG2 4.33Å; T36-F38 PolarHBondContact O-N 2.6Å; T36-K49 PolarHBondContact N-O 2.85Å; T36-K49 PolarHBondContact O-N 3.16Å
37	D	95	Very high	92.2	Very high	93 Å²	93	61.8 Å²	61.8	50%	0.497	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	39.8	171.7	-50.1	-15.2	0	0	0	112.4	E39 K49	D37-E39 PolarHBondContact O-N 2.66Å; D37-K49 HydrophobicContact CB-CD 4.09Å; D37-K49 HydrophobicContact CB-CG 4.17Å; D37-K49 WeakPolarHBondContact OD2-CD 3.36Å; D37-K49 WeakPolarHBondContact OD2-CE 3.27Å; D37-K49 IonicContact OD2-NZ 2.73Å; D37-K49 PolarHBondContact OD2-NZ 2.9Å
38	F	94.8	Very high	92.4	Very high	52 Å²	52	61.3 Å²	61.3	23%	0.228	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.1	166.8	172.1	-91.1	0	0	0	108.9	Y9 N10 F25 T36 A46 T47 I48	Y9-F38 HydrophobicContact CD1-CB 4.31Å; Y9-F38 WeakPolarHBondContact O-CE2 3.23Å; N10-F38 VanDerWaalsContact CA-CZ 3.48Å; N10-F38 VanDerWaalsContact O-CE1 3.27Å; N10-F38 WeakPolarHBondContact O-CE1 3.19Å; F25-F38 HydrophobicContact CD2-CD2 4.12Å; F25-F38 HydrophobicContact CD2-CE2 4.07Å; F25-F38 HydrophobicContact CE2-CE2 4.44Å; T36-F38 PolarHBondContact O-N 2.6Å; F38-A46 HydrophobicContact CE2-CB 3.93Å; F38-A46 HydrophobicContact CZ-CB 4.27Å; F38-T47 VanDerWaalsContact CA-O 3.32Å; F38-T47 WeakPolarHBondContact CA-O 3.27Å; F38-I48 HydrophobicContact CB-CD1 4.38Å; F38-I48 HydrophobicContact CB-CG1 4.25Å; F38-I48 HydrophobicContact CD2-CB 4.46Å; F38-I48 HydrophobicContact CD2-CD1 4.47Å
39	E	94.4	Very high	92.7	Very high	120 Å²	120	60.6 Å²	60.6	56%	0.561	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	127.1	179.6	-175.9	177.3	-174.2	0	0	109.7	D37 V41 A46 T47	D37-E39 PolarHBondContact O-N 2.66Å; E39-V41 PolarHBondContact O-N 3.12Å; E39-A46 CarbonylContact O-C 3.49Å; E39-A46 WeakPolarHBondContact O-CA 3.32Å; E39-A46 WeakPolarHBondContact O-CB 3.29Å; E39-T47 PolarHBondContact N-O 2.97Å; E39-T47 PolarHBondContact O-N 3.03Å
40	E	92.4	Very high	93	Very high	56 Å²	56	59.4 Å²	59.4	26%	0.262	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.7	161.7	178.1	-170.3	169.8	0	0	107.5	S11 R19 D42 G43	S11-E40 WeakPolarHBondContact CB-OE2 3.49Å; S11-E40 WeakPolarHBondContact OG-CB 3.37Å; S11-E40 VanDerWaalsContact OG-CD 3.25Å; S11-E40 PolarHBondContact OG-OE2 2.81Å; R19-E40 IonicContact NH1-OE1 3.04Å; R19-E40 PolarHBondContact NH1-OE1 2.9Å; R19-E40 IonicContact NH1-OE2 3Å; R19-E40 PolarHBondContact NH1-OE2 2.84Å; E40-D42 VanDerWaalsContact CG-C 3.49Å; E40-D42 WeakPolarHBondContact CG-O 3.43Å; E40-G43 WeakPolarHBondContact OE1-CA 3.48Å; E40-G43 PolarHBondContact OE1-N 3.28Å; E40-G43 VanDerWaalsContact OE1-N 3.15Å
41	V	92.3	Very high	93.2	Very high	85 Å²	85	55.8 Å²	55.8	52%	0.515	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-43.2	175.2	-179.7	0	0	0	0	109.4	E39 I45 T47	E39-V41 PolarHBondContact O-N 3.12Å; V41-I45 HydrophobicContact CB-CB 4.15Å; V41-I45 HydrophobicContact CB-CG2 4.01Å; V41-I45 HydrophobicContact CG2-CG2 4.16Å; V41-I45 PolarHBondContact N-O 3.06Å; V41-T47 HydrophobicContact CG2-CG2 4.05Å
42	D	87.4	Confident	93.5	Very high	76 Å²	76	54 Å²	54	41%	0.406	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	177.2	166.2	71.7	34	0	0	0	110	E40 R44 I45	E40-D42 VanDerWaalsContact CG-C 3.49Å; E40-D42 WeakPolarHBondContact CG-O 3.43Å; D42-R44 PolarHBondContact O-N 3.49Å; D42-R44 VanDerWaalsContact OD1-CA 3.27Å; D42-R44 WeakPolarHBondContact OD1-CA 3.04Å; D42-R44 WeakPolarHBondContact OD1-CB 3.31Å; D42-R44 PolarHBondContact OD1-N 2.87Å; D42-I45 PolarHBondContact N-O 2.89Å; D42-I45 PolarHBondContact O-N 2.45Å; D42-I45 PolarHBondContact OD1-N 3.16Å
43	G	84.5	Confident	93.6	Very high	21 Å²	21	59.3 Å²	59.3	22%	0.216	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-2.8	-179.5	0	0	0	0	0	116.8	T21 G22 E40	T21-G43 WeakPolarHBondContact CB-O 3.28Å; G22-G43 VanDerWaalsContact CA-O 3.31Å; G22-G43 WeakPolarHBondContact CA-O 3.14Å; G22-G43 PolarHBondContact N-O 2.98Å; G22-G43 VanDerWaalsContact N-O 3.12Å; E40-G43 WeakPolarHBondContact OE1-CA 3.48Å; E40-G43 PolarHBondContact OE1-N 3.28Å; E40-G43 VanDerWaalsContact OE1-N 3.15Å
44	R	88.3	Confident	93.6	Very high	87 Å²	87	58 Å²	58	33%	0.328	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-8.4	-179.2	-64.4	-177.4	171.9	-159.2	-1.5	113.4	T21 V23 D42 C64 Y65	T21-R44 HydrophobicContact CG2-CG 4.35Å; V23-R44 VanDerWaalsContact CG1-C 3.47Å; D42-R44 PolarHBondContact O-N 3.49Å; D42-R44 VanDerWaalsContact OD1-CA 3.27Å; D42-R44 WeakPolarHBondContact OD1-CA 3.04Å; D42-R44 WeakPolarHBondContact OD1-CB 3.31Å; D42-R44 PolarHBondContact OD1-N 2.87Å; R44-C64 CarbonylContact O-C 3.52Å; R44-C64 VanDerWaalsContact O-CA 3.27Å; R44-C64 WeakPolarHBondContact O-CA 3.47Å; R44-Y65 WeakPolarHBondContact CB-O 3.12Å; R44-Y65 WeakPolarHBondContact CD-O 3.08Å; R44-Y65 HydrophobicContact CG-CD1 4.43Å; R44-Y65 PolarHBondContact O-N 2.91Å
45	I	92.5	Very high	93.5	Very high	58 Å²	58	57.7 Å²	57.7	30%	0.297	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.4	179.6	-56.7	173.9	0	0	0	109.8	V23 V41 D42 I62 G63 C64	V23-I45 VanDerWaalsContact CG1-C 3.45Å; V41-I45 HydrophobicContact CB-CB 4.15Å; V41-I45 HydrophobicContact CB-CG2 4.01Å; V41-I45 HydrophobicContact CG2-CG2 4.16Å; V41-I45 PolarHBondContact N-O 3.06Å; D42-I45 PolarHBondContact N-O 2.89Å; D42-I45 PolarHBondContact O-N 2.45Å; D42-I45 PolarHBondContact OD1-N 3.16Å; I45-I62 HydrophobicContact CG2-CG2 4.15Å; I45-G63 WeakPolarHBondContact CA-O 3.47Å; I45-C64 HydrophobicContact CG1-CB 4.35Å
46	A	94.6	Very high	93.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.5	169.4	0	0	0	0	0	110.9	V23 F25 F38 E39 I62 G63	V23-A46 HydrophobicContact CG1-CB 3.61Å; V23-A46 VanDerWaalsContact CG1-N 3.31Å; F25-A46 HydrophobicContact CE2-CB 3.99Å; F38-A46 HydrophobicContact CE2-CB 3.93Å; F38-A46 HydrophobicContact CZ-CB 4.27Å; E39-A46 CarbonylContact O-C 3.49Å; E39-A46 WeakPolarHBondContact O-CA 3.32Å; E39-A46 WeakPolarHBondContact O-CB 3.29Å; A46-I62 WeakPolarHBondContact O-CA 3.5Å; A46-G63 PolarHBondContact N-O 2.92Å; A46-G63 PolarHBondContact O-N 2.82Å
47	T	97	Very high	93.6	Very high	40 Å²	40	68.3 Å²	68.3	25%	0.245	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.5	175.2	74.1	0	0	0	0	110.7	F38 E39 V41 L61 I62	F38-T47 VanDerWaalsContact CA-O 3.32Å; F38-T47 WeakPolarHBondContact CA-O 3.27Å; E39-T47 PolarHBondContact N-O 2.97Å; E39-T47 PolarHBondContact O-N 3.03Å; V41-T47 HydrophobicContact CG2-CG2 4.05Å; T47-L61 VanDerWaalsContact CA-O 3.29Å; T47-L61 WeakPolarHBondContact CA-O 3.47Å; T47-I62 HydrophobicContact CG2-CG1 4.15Å; T47-I62 HydrophobicContact CG2-CG2 4.45Å
48	I	97.4	Very high	93.7	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	148.9	173	-167.1	170.8	0	0	0	109.8	Y9 F25 A35 F38 I50 L61	Y9-I48 HydrophobicContact CD1-CD1 3.83Å; Y9-I48 HydrophobicContact CD2-CD1 3.7Å; Y9-I48 HydrophobicContact CE1-CD1 4.29Å; Y9-I48 HydrophobicContact CE2-CD1 4.18Å; Y9-I48 HydrophobicContact CG-CD1 3.53Å; F25-I48 HydrophobicContact CB-CD1 4.44Å; F25-I48 HydrophobicContact CB-CG2 4.42Å; F25-I48 HydrophobicContact CD1-CG2 3.85Å; F25-I48 HydrophobicContact CD2-CB 3.95Å; F25-I48 HydrophobicContact CD2-CD1 4.49Å; F25-I48 HydrophobicContact CD2-CG2 3.57Å; F25-I48 HydrophobicContact CE1-CG2 3.88Å; F25-I48 HydrophobicContact CE2-CB 3.96Å; F25-I48 HydrophobicContact CE2-CG2 3.59Å; F25-I48 HydrophobicContact CG-CB 4.47Å; F25-I48 HydrophobicContact CG-CG2 3.68Å; F25-I48 HydrophobicContact CZ-CB 4.49Å; F25-I48 HydrophobicContact CZ-CG2 3.72Å; A35-I48 HydrophobicContact CB-CD1 3.77Å; A35-I48 HydrophobicContact CB-CG1 4.17Å; F38-I48 HydrophobicContact CB-CD1 4.38Å; F38-I48 HydrophobicContact CB-CG1 4.25Å; F38-I48 HydrophobicContact CD2-CB 4.46Å; F38-I48 HydrophobicContact CD2-CD1 4.47Å; I48-I50 HydrophobicContact CG1-CG1 4.4Å; I48-I50 HydrophobicContact CG2-CD1 4.35Å; I48-I50 HydrophobicContact CG2-CG1 4.2Å; I48-L61 HydrophobicContact CG2-CB 3.84Å; I48-L61 HydrophobicContact CG2-CD1 4.21Å; I48-L61 HydrophobicContact CG2-CG 4.49Å; I48-L61 PolarHBondContact N-O 3.45Å; I48-L61 PolarHBondContact O-N 3.05Å
49	K	97.3	Very high	93.7	Very high	54 Å²	54	67 Å²	67	24%	0.235	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.5	168.4	-61.9	-176.5	-155.8	177.7	0	109.9	A35 T36 D37 T58 I59 Y60	A35-K49 CarbonylContact C-O 3.59Å; A35-K49 WeakPolarHBondContact CA-O 3.4Å; T36-K49 PolarHBondContact N-O 2.85Å; T36-K49 PolarHBondContact O-N 3.16Å; D37-K49 HydrophobicContact CB-CD 4.09Å; D37-K49 HydrophobicContact CB-CG 4.17Å; D37-K49 WeakPolarHBondContact OD2-CD 3.36Å; D37-K49 WeakPolarHBondContact OD2-CE 3.27Å; D37-K49 IonicContact OD2-NZ 2.73Å; D37-K49 PolarHBondContact OD2-NZ 2.9Å; K49-T58 HydrophobicContact CB-CG2 4.35Å; K49-I59 WeakPolarHBondContact CA-O 3.49Å; K49-Y60 HydrophobicContact CD-CD1 3.96Å; K49-Y60 HydrophobicContact CD-CE1 3.36Å; K49-Y60 HydrophobicContact CD-CE2 4.26Å; K49-Y60 VanDerWaalsContact CD-CZ 3.47Å; K49-Y60 HydrophobicContact CG-CD1 3.69Å; K49-Y60 HydrophobicContact CG-CE1 3.66Å; K49-Y60 HydrophobicContact CG-CE2 4.49Å; K49-Y60 HydrophobicContact CG-CG 4.18Å; K49-Y60 PolarHBondContact NZ-OH 2.79Å
50	I	96.5	Very high	93.8	Very high	14 Å²	14	68.6 Å²	68.6	7%	0.072	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.1	178.7	-54.2	-169.3	0	0	0	109.2	V27 M32 A35 I48 S52 T58 I59 L61	V27-I50 HydrophobicContact CB-CD1 4.41Å; V27-I50 HydrophobicContact CG1-CD1 3.85Å; V27-I50 HydrophobicContact CG2-CD1 3.61Å; M32-I50 HydrophobicContact CB-CG2 4.13Å; M32-I50 HydrophobicContact CG-CG2 3.79Å; M32-I50 HydrophobicContact SD-CG2 4.22Å; A35-I50 HydrophobicContact CB-CG1 4.38Å; I48-I50 HydrophobicContact CG1-CG1 4.4Å; I48-I50 HydrophobicContact CG2-CD1 4.35Å; I48-I50 HydrophobicContact CG2-CG1 4.2Å; I50-S52 PolarHBondContact O-N 3.15Å; I50-T58 CarbonylContact O-C 3.51Å; I50-T58 WeakPolarHBondContact O-CA 3.36Å; I50-I59 PolarHBondContact N-O 2.96Å; I50-I59 PolarHBondContact O-N 2.77Å; I50-L61 HydrophobicContact CD1-CD1 3.54Å; I50-L61 HydrophobicContact CG1-CD1 4.17Å
51	H	96.4	Very high	94	Very high	83 Å²	83	69 Å²	69	38%	0.384	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	102.5	162.2	-86.4	155.7	0	0	0	109.2	I33 T34 T58	I33-H51 HydrophobicContact CB-CB 4.18Å; I33-H51 PolarHBondContact N-O 3Å; T34-H51 HydrophobicContact CG2-CB 3.87Å; T34-H51 PolarHBondContact O-N 3.02Å; H51-T58 PolarHBondContact CD2-OG1 3.04Å; H51-T58 PolarHBondContact NE2-OG1 2.71Å
52	S	95.4	Very high	94.2	Very high	16 Å²	16	70.7 Å²	70.7	11%	0.112	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131.8	-180	177.6	0	0	0	0	111.1	I50 A54 A55 K56 Q57	I50-S52 PolarHBondContact O-N 3.15Å; S52-A54 PolarHBondContact OG-N 3.12Å; S52-A55 PolarHBondContact OG-N 2.84Å; S52-A55 VanDerWaalsContact OG-N 3.16Å; S52-K56 WeakPolarHBondContact O-CA 3.27Å; S52-K56 PolarHBondContact O-N 3.22Å; S52-Q57 PolarHBondContact N-O 3.03Å
53	K	93.7	Very high	94.5	Very high	135 Å²	135	67.7 Å²	67.7	59%	0.587	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-40.5	173	-168.2	175.6	-176.4	177.6	0	111.9	S31 I33	S31-K53 PolarHBondContact O-N 2.82Å; I33-K53 HydrophobicContact CG1-CB 4.06Å; I33-K53 HydrophobicContact CG1-CG 4.39Å
54	A	91.4	Very high	94.8	Very high	93 Å²	93	71.2 Å²	71.2	77%	0.769	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-46.5	-176.9	0	0	0	0	0	112	S52	S52-A54 PolarHBondContact OG-N 3.12Å
55	A	93	Very high	94.8	Very high	48 Å²	48	72.8 Å²	72.8	40%	0.397	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-12.8	-177.8	0	0	0	0	0	113.3	S52 Q57	S52-A55 PolarHBondContact OG-N 2.84Å; S52-A55 VanDerWaalsContact OG-N 3.16Å; A55-Q57 HydrophobicContact CB-CG 3.68Å; A55-Q57 PolarHBondContact O-N 3.1Å
56	K	94.3	Very high	94.6	Very high	189 Å²	189	73.5 Å²	73.5	82%	0.822	39%	0.391	S	S	*	.			trans	53	35.8	-176.4	-56.8	-178.7	-179.3	178.6	0	113.2	S52	S52-K56 WeakPolarHBondContact O-CA 3.27Å; S52-K56 PolarHBondContact O-N 3.22Å
57	Q	96.4	Very high	94.1	Very high	114 Å²	114	77.5 Å²	77.5	53%	0.533	42%	0.418	S	S	.	.	S	Bend	trans	-142	159.9	-178.2	67.9	-174.4	47.5	0	0	111.2	S52 A55 I59	S52-Q57 PolarHBondContact N-O 3.03Å; A55-Q57 HydrophobicContact CB-CG 3.68Å; A55-Q57 PolarHBondContact O-N 3.1Å; Q57-I59 HydrophobicContact CG-CG1 4.1Å
58	T	96.7	Very high	93.3	Very high	60 Å²	60	81.6 Å²	81.6	37%	0.368	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.5	167.4	-35.5	0	0	0	0	109.6	K49 I50 H51 Y60	K49-T58 HydrophobicContact CB-CG2 4.35Å; I50-T58 CarbonylContact O-C 3.51Å; I50-T58 WeakPolarHBondContact O-CA 3.36Å; H51-T58 PolarHBondContact CD2-OG1 3.04Å; H51-T58 PolarHBondContact NE2-OG1 2.71Å; T58-Y60 HydrophobicContact CG2-CD2 4.26Å; T58-Y60 HydrophobicContact CG2-CE2 3.8Å
59	I	96.1	Very high	92.2	Very high	56 Å²	56	89.3 Å²	89.3	29%	0.287	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.3	174.5	-55.4	177.2	0	0	0	107.2	K49 I50 Q57 L61	K49-I59 WeakPolarHBondContact CA-O 3.49Å; I50-I59 PolarHBondContact N-O 2.96Å; I50-I59 PolarHBondContact O-N 2.77Å; Q57-I59 HydrophobicContact CG-CG1 4.1Å; I59-L61 HydrophobicContact CG2-CD2 3.76Å; I59-L61 HydrophobicContact CG2-CG 4.1Å
60	Y	96.7	Very high	90.6	Very high	155 Å²	155	91.2 Å²	91.2	61%	0.608	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.2	173	-71.4	-113.6	0	0	0	107.4	K49 T58	K49-Y60 HydrophobicContact CD-CD1 3.96Å; K49-Y60 HydrophobicContact CD-CE1 3.36Å; K49-Y60 HydrophobicContact CD-CE2 4.26Å; K49-Y60 VanDerWaalsContact CD-CZ 3.47Å; K49-Y60 HydrophobicContact CG-CD1 3.69Å; K49-Y60 HydrophobicContact CG-CE1 3.66Å; K49-Y60 HydrophobicContact CG-CE2 4.49Å; K49-Y60 HydrophobicContact CG-CG 4.18Å; K49-Y60 PolarHBondContact NZ-OH 2.79Å; T58-Y60 HydrophobicContact CG2-CD2 4.26Å; T58-Y60 HydrophobicContact CG2-CE2 3.8Å
61	L	95.7	Very high	88.8	Confident	65 Å²	65	94.5 Å²	94.5	34%	0.34	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.2	179.3	-62.1	174.4	0	0	0	109.7	F25 T47 I48 I50 I59	F25-L61 HydrophobicContact CD1-CB 4.5Å; F25-L61 HydrophobicContact CD1-CD1 4.43Å; F25-L61 HydrophobicContact CE1-CB 3.73Å; F25-L61 HydrophobicContact CE1-CD1 4.41Å; F25-L61 HydrophobicContact CZ-CB 4.13Å; T47-L61 VanDerWaalsContact CA-O 3.29Å; T47-L61 WeakPolarHBondContact CA-O 3.47Å; I48-L61 HydrophobicContact CG2-CB 3.84Å; I48-L61 HydrophobicContact CG2-CD1 4.21Å; I48-L61 HydrophobicContact CG2-CG 4.49Å; I48-L61 PolarHBondContact N-O 3.45Å; I48-L61 PolarHBondContact O-N 3.05Å; I50-L61 HydrophobicContact CD1-CD1 3.54Å; I50-L61 HydrophobicContact CG1-CD1 4.17Å; I59-L61 HydrophobicContact CG2-CD2 3.76Å; I59-L61 HydrophobicContact CG2-CG 4.1Å
62	I	95.9	Very high	86.7	Confident	120 Å²	120	97.3 Å²	97.3	62%	0.615	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.3	173.1	-55	174.5	0	0	0	106.2	I45 A46 T47	I45-I62 HydrophobicContact CG2-CG2 4.15Å; A46-I62 WeakPolarHBondContact O-CA 3.5Å; T47-I62 HydrophobicContact CG2-CG1 4.15Å; T47-I62 HydrophobicContact CG2-CG2 4.45Å
63	G	94	Very high	84.7	Confident	13 Å²	13	102.3 Å²	102.3	13%	0.134	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.9	126.1	172.1	0	0	0	0	0	107.5	F25 I45 A46	F25-G63 VanDerWaalsContact CZ-N 3.29Å; I45-G63 WeakPolarHBondContact CA-O 3.47Å; A46-G63 PolarHBondContact N-O 2.92Å; A46-G63 PolarHBondContact O-N 2.82Å
64	C	92.4	Very high	82.6	Confident	95 Å²	95	104 Å²	104	64%	0.642	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.4	135.5	-178.3	40.9	0	0	0	0	111.2	R44 I45	R44-C64 CarbonylContact O-C 3.52Å; R44-C64 VanDerWaalsContact O-CA 3.27Å; R44-C64 WeakPolarHBondContact O-CA 3.47Å; I45-C64 HydrophobicContact CG1-CB 4.35Å
65	Y	88.3	Confident	80.7	Confident	120 Å²	120	105 Å²	105	47%	0.471	57%	0.573	S	S	.	*			trans	-112	94.5	173.9	-177.7	-124.1	0	0	0	109.7	R44	R44-Y65 WeakPolarHBondContact CB-O 3.12Å; R44-Y65 WeakPolarHBondContact CD-O 3.08Å; R44-Y65 HydrophobicContact CG-CD1 4.43Å; R44-Y65 PolarHBondContact O-N 2.91Å
66	A	87.3	Confident	78.8	Confident	72 Å²	72	107.7 Å²	107.7	60%	0.595	59%	0.588	S	S	*	*			trans	-65.9	143.8	-176.4	0	0	0	0	0	112.1
67	P	84.5	Confident	76.6	Confident	85 Å²	85	111.3 Å²	111.3	55%	0.552	60%	0.604	S	S	*	*			trans	-58.5	140.6	171.3	8.8	-10.2	0	0	0	111.9
68	T	80.6	Confident	75.6	Confident	126 Å²	126	111.2 Å²	111.2	77%	0.773	61%	0.608	S	S	*	*	S	Bend	trans	-83	-24.5	173.3	48.6	0	0	0	0	112.9
69	E	74.4	Confident	74.5	Confident	163 Å²	163	113.9 Å²	113.9	76%	0.762	62%	0.621	S	S	*	*	S	Bend	trans	-88.4	122	172.8	-59.3	-172.7	-164.9	0	0	107.5	S71	E69-S71 PolarHBondContact O-N 3.19Å
70	S	62.9	Low	73.3	Confident	93 Å²	93	117.1 Å²	117.1	65%	0.65	64%	0.639	S	S	*	*			trans	-50.4	126.8	164.9	41.3	0	0	0	0	106.9	N72	S70-N72 VanDerWaalsContact C-N 3.3Å; S70-N72 PolarHBondContact O-N 2.7Å
71	S	58.1	Low	71.9	Confident	84 Å²	84	114.9 Å²	114.9	59%	0.587	64%	0.641	S	S	*	*			trans	-51.2	111.6	159.6	46.3	0	0	0	0	104.4	E69 D73	E69-S71 PolarHBondContact O-N 3.19Å; S71-D73 PolarHBondContact O-N 2.82Å; S71-D73 PolarHBondContact OG-OD2 3.1Å; S71-D73 VanDerWaalsContact OG-OD2 3.1Å
72	N	52.9	Low	70.4	Confident	142 Å²	142	118 Å²	118	76%	0.759	66%	0.66	S	S	*	*			trans	-65.5	79.4	159.4	-80.4	-16.7	0	0	0	103.5	S70 E74	S70-N72 VanDerWaalsContact C-N 3.3Å; S70-N72 PolarHBondContact O-N 2.7Å; N72-E74 PolarHBondContact O-N 2.78Å
73	D	53.9	Low	68.7	Low	121 Å²	121	117.9 Å²	117.9	65%	0.647	66%	0.663	S	S	*	*			trans	-63.7	83.6	154	-70.2	-42.4	0	0	0	103.3	S71 V75	S71-D73 PolarHBondContact O-N 2.82Å; S71-D73 PolarHBondContact OG-OD2 3.1Å; S71-D73 VanDerWaalsContact OG-OD2 3.1Å; D73-V75 HydrophobicContact CB-CG2 4.13Å; D73-V75 PolarHBondContact O-N 2.74Å
74	E	50.2	Low	66.9	Low	170 Å²	170	125.4 Å²	125.4	79%	0.794	70%	0.7	S	S	*	*			trans	-52.7	81.7	139.7	-73.7	-168.4	162.8	0	0	105.4	N72 S76	N72-E74 PolarHBondContact O-N 2.78Å; E74-S76 PolarHBondContact O-N 2.9Å
75	V	51.8	Low	64.9	Low	115 Å²	115	127.7 Å²	127.7	70%	0.697	71%	0.705	S	S	*	*			trans	-61.8	82.9	152	-177.2	0	0	0	0	103.6	D73 K77	D73-V75 HydrophobicContact CB-CG2 4.13Å; D73-V75 PolarHBondContact O-N 2.74Å; V75-K77 VanDerWaalsContact C-N 3.27Å; V75-K77 PolarHBondContact O-N 2.75Å
76	S	51.7	Low	63	Low	103 Å²	103	128.3 Å²	128.3	72%	0.72	73%	0.725	S	S	*	*			trans	-56.4	102.8	161.9	-68.7	0	0	0	0	105	E74	E74-S76 PolarHBondContact O-N 2.9Å
77	K	47.8	Very low	60.8	Low	266 Å²	266	133.5 Å²	133.5	100%	1.157	74%	0.736	S	S	*	*			trans	-59.7	0	173.1	-84.9	-179	173.3	176.3	0	111.2	V75	V75-K77 VanDerWaalsContact C-N 3.27Å; V75-K77 PolarHBondContact O-N 2.75Å

Retrieved 77 of 77 residues in 16.3 ms (Link to these results)

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