G4V7B6_SCHMA Loading...

Crp-related

AlphaFold DB , UniProt , Accession G4V7B6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 76 aa.

						>G4V7B6_SCHMA|G4V7B6
MPFTPAKVEKCVRCDKSVYAAERMEAGGNIWHKRCFCCSKCDMLLNLNNYNQSDRILYCKKHYQEEVLAKNTQTPI
					

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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	62.9	Low	76	Confident	214 Å²	214	116.7 Å²	116.7	100%	1.054	63%	0.63	S	S	*	*				0	107.9	0	60.9	-163.8	-177.3	0	0	109
2	P	70	Confident	76.9	Confident	117 Å²	117	113.5 Å²	113.5	76%	0.76	62%	0.617	S	S	*	*			trans	-95.8	98.1	166.1	30.9	-22.7	0	0	0	107.9	T4	P2-T4 PolarHBondContact O-N 2.75Å
3	F	66.2	Low	77.7	Confident	185 Å²	185	114.8 Å²	114.8	81%	0.811	61%	0.608	S	S	*	*			trans	-71	84.4	157.4	-81.8	-86.9	0	0	0	105.9	P5	F3-P5 VanDerWaalsContact O-CD 3.3Å; F3-P5 WeakPolarHBondContact O-CD 3.48Å; F3-P5 VanDerWaalsContact O-N 3.08Å
4	T	70.9	Confident	78.6	Confident	111 Å²	111	110.6 Å²	110.6	68%	0.681	59%	0.591	S	S	*	*			trans	-58.6	116	174.3	-42.4	0	0	0	0	106.2	P2 A6	P2-T4 PolarHBondContact O-N 2.75Å; T4-A6 PolarHBondContact O-N 3.34Å
5	P	67.1	Low	79.3	Confident	106 Å²	106	110.7 Å²	110.7	69%	0.688	59%	0.592	S	S	*	*			trans	-57.6	129.3	-179.9	23.6	-32.4	0	0	0	107.6	F3 K7	F3-P5 VanDerWaalsContact O-CD 3.3Å; F3-P5 WeakPolarHBondContact O-CD 3.48Å; F3-P5 VanDerWaalsContact O-N 3.08Å; P5-K7 PolarHBondContact O-N 3.4Å
6	A	70.6	Confident	80.1	Confident	96 Å²	96	112.6 Å²	112.6	79%	0.793	59%	0.593	S	S	*	*			trans	-54.8	110.4	175.5	0	0	0	0	0	107.5	T4 V8	T4-A6 PolarHBondContact O-N 3.34Å; A6-V8 PolarHBondContact O-N 3.15Å
7	K	73.1	Confident	80.8	Confident	176 Å²	176	108.6 Å²	108.6	77%	0.765	58%	0.577	S	S	*	*			trans	-58.9	106.5	-178	-66.8	171.3	80.3	177.3	0	107.4	P5 E9	P5-K7 PolarHBondContact O-N 3.4Å; K7-E9 PolarHBondContact O-N 3.04Å
8	V	81.7	Confident	81.4	Confident	85 Å²	85	102.8 Å²	102.8	52%	0.515	55%	0.546	S	S	.	.			trans	-85.8	97.1	174.4	60.1	0	0	0	0	107.4	A6 S17	A6-V8 PolarHBondContact O-N 3.15Å; V8-S17 VanDerWaalsContact CG2-CB 3.49Å
9	E	89.3	Confident	81.8	Confident	71 Å²	71	105.4 Å²	105.4	33%	0.332	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	155.6	177.1	-57.5	-80	86.8	0	0	109.3	K7 V18 I30	K7-E9 PolarHBondContact O-N 3.04Å; E9-V18 PolarHBondContact O-N 2.65Å; E9-I30 HydrophobicContact CB-CB 4.12Å; E9-I30 HydrophobicContact CB-CD1 4.48Å; E9-I30 HydrophobicContact CB-CG1 3.9Å; E9-I30 HydrophobicContact CB-CG2 3.7Å; E9-I30 HydrophobicContact CG-CD1 4.32Å; E9-I30 HydrophobicContact CG-CG1 4.16Å; E9-I30 HydrophobicContact CG-CG2 4.48Å; E9-I30 VanDerWaalsContact OE2-CD1 3.25Å; E9-I30 WeakPolarHBondContact OE2-CD1 3.28Å; E9-I30 VanDerWaalsContact OE2-CG1 3.28Å; E9-I30 WeakPolarHBondContact OE2-CG1 3.23Å
10	K	91.9	Very high	82	Confident	123 Å²	123	103.9 Å²	103.9	54%	0.535	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.9	137.4	179.4	-65.8	-176	172.9	-153.6	0	110.5	V12	K10-V12 PolarHBondContact O-N 3.2Å
11	C	92.4	Very high	82.3	Confident	0 Å²	0	103.5 Å²	103.5	0%	0	56%	0.564	C	S	.	*			trans	-73.6	121.9	176.4	177.7	0	0	0	0	109.7	R13 C14 D15 K16 V18 I30 H32	C11-R13 PolarHBondContact O-N 3.46Å; C11-R13 VanDerWaalsContact O-N 3.07Å; C11-R13 WeakPolarHBondContact SG-CB 3.49Å; C11-R13 PolarHBondContact SG-N 2.75Å; C11-C14 VanDerWaalsContact CB-SG 3.58Å; C11-C14 PolarHBondContact O-N 3.46Å; C11-D15 WeakPolarHBondContact O-CA 3.23Å; C11-D15 PolarHBondContact O-N 3.46Å; C11-K16 PolarHBondContact N-O 2.94Å; C11-V18 HydrophobicContact CB-CG2 3.42Å; C11-V18 VanDerWaalsContact CB-CG2 3.42Å; C11-V18 VanDerWaalsContact N-CG2 3.27Å; C11-I30 CarbonylContact C-O 3.59Å; C11-I30 VanDerWaalsContact CA-O 3.28Å; C11-I30 WeakPolarHBondContact CA-O 2.79Å; C11-H32 WeakPolarHBondContact CB-CE1 3.22Å; C11-H32 WeakPolarHBondContact CB-ND1 3.49Å; C11-H32 PolarHBondContact SG-N 3.45Å; C11-H32 PolarHBondContact SG-ND1 3.37Å
12	V	87.5	Confident	83.5	Confident	78 Å²	78	95.6 Å²	95.6	47%	0.473	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16	178	-60.1	0	0	0	0	113.6	K10 N29 I30 W31	K10-V12 PolarHBondContact O-N 3.2Å; V12-N29 HydrophobicContact CG1-CB 4.1Å; V12-N29 HydrophobicContact CG2-CB 4.11Å; V12-I30 PolarHBondContact N-O 3.46Å; V12-W31 HydrophobicContact CG2-CD2 3.61Å; V12-W31 HydrophobicContact CG2-CE3 3.91Å; V12-W31 HydrophobicContact CG2-CG 4.37Å; V12-W31 HydrophobicContact CG2-CH2 3.45Å; V12-W31 VanDerWaalsContact CG2-CH2 3.45Å; V12-W31 HydrophobicContact CG2-CZ2 3.15Å; V12-W31 HydrophobicContact CG2-CZ3 3.83Å
13	R	86.8	Confident	84.4	Confident	131 Å²	131	97.1 Å²	97.1	49%	0.494	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-40.3	-179	-153.6	-81.8	-134.5	-163.8	-0.7	113.9	C11 W31 C35 C37	C11-R13 PolarHBondContact O-N 3.46Å; C11-R13 VanDerWaalsContact O-N 3.07Å; C11-R13 WeakPolarHBondContact SG-CB 3.49Å; C11-R13 PolarHBondContact SG-N 2.75Å; R13-W31 HydrophobicContact CB-CE3 3.56Å; R13-W31 HydrophobicContact CB-CZ3 3.45Å; R13-W31 VanDerWaalsContact CB-CZ3 3.45Å; R13-W31 HydrophobicContact CG-CE3 4.03Å; R13-W31 HydrophobicContact CG-CZ3 3.62Å; R13-C35 HydrophobicContact CB-CB 4.04Å; R13-C35 HydrophobicContact CG-CB 4.33Å; R13-C35 PolarHBondContact NE-O 3.48Å; R13-C37 PolarHBondContact NH2-SG 3.16Å
14	C	90.7	Very high	85.5	Confident	55 Å²	55	89 Å²	89	37%	0.372	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	3.5	-174.9	67.3	0	0	0	0	113.3	C11 K16 H32 C35	C11-C14 VanDerWaalsContact CB-SG 3.58Å; C11-C14 PolarHBondContact O-N 3.46Å; C14-K16 PolarHBondContact O-N 2.82Å; C14-K16 WeakPolarHBondContact SG-CB 3.04Å; C14-H32 PolarHBondContact SG-CE1 3.2Å; C14-H32 PolarHBondContact SG-ND1 2.76Å; C14-C35 VanDerWaalsContact SG-SG 3.63Å
15	D	89.1	Confident	86.3	Confident	113 Å²	113	89.3 Å²	89.3	60%	0.604	47%	0.473	S	S	*	.			trans	51.7	17.6	-174	-158.2	-115.2	0	0	0	114.8	C11	C11-D15 WeakPolarHBondContact O-CA 3.23Å; C11-D15 PolarHBondContact O-N 3.46Å
16	K	90.9	Very high	87.2	Confident	140 Å²	140	84.3 Å²	84.3	61%	0.609	44%	0.441	S	S	*	.			trans	-93.8	150	-175.7	-156	162.9	-169.5	-77.8	0	111	C11 C14 V18 H32	C11-K16 PolarHBondContact N-O 2.94Å; C14-K16 PolarHBondContact O-N 2.82Å; C14-K16 WeakPolarHBondContact SG-CB 3.04Å; K16-V18 PolarHBondContact O-N 2.74Å; K16-H32 PolarHBondContact O-CE1 3.35Å
17	S	92.4	Very high	87.7	Confident	46 Å²	46	82.4 Å²	82.4	32%	0.322	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	126.8	173.9	-59.9	0	0	0	0	111.3	V8 H32	V8-S17 VanDerWaalsContact CG2-CB 3.49Å; S17-H32 PolarHBondContact O-NE2 3.02Å
18	V	91.8	Very high	88.2	Confident	4 Å²	4	77.7 Å²	77.7	2%	0.024	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.8	179.2	-179.5	0	0	0	0	107.6	E9 C11 K16 R23 I30 H32	E9-V18 PolarHBondContact O-N 2.65Å; C11-V18 HydrophobicContact CB-CG2 3.42Å; C11-V18 VanDerWaalsContact CB-CG2 3.42Å; C11-V18 VanDerWaalsContact N-CG2 3.27Å; K16-V18 PolarHBondContact O-N 2.74Å; V18-R23 HydrophobicContact CG1-CB 3.8Å; V18-I30 HydrophobicContact CB-CG2 3.97Å; V18-I30 HydrophobicContact CG1-CG2 3.9Å; V18-I30 HydrophobicContact CG2-CG2 4.01Å; V18-H32 VanDerWaalsContact CG2-CE1 3.45Å; V18-H32 WeakPolarHBondContact CG2-CE1 3.23Å; V18-H32 WeakPolarHBondContact CG2-NE2 3.2Å
19	Y	89.7	Confident	88.6	Confident	152 Å²	152	76.1 Å²	76.1	60%	0.596	42%	0.42	S	S	*	.			trans	-76.9	159	176.8	-64.6	-80.9	0	0	0	110.9	A21 E22 R23	Y19-A21 PolarHBondContact O-N 2.81Å; Y19-E22 CarbonylContact O-C 3.55Å; Y19-E22 PolarHBondContact O-N 3.3Å; Y19-R23 PolarHBondContact O-N 3.35Å
20	A	86.1	Confident	88.6	Confident	75 Å²	75	73.6 Å²	73.6	62%	0.62	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-26.6	177.7	0	0	0	0	0	114.1	R23	A20-R23 PolarHBondContact O-NH1 2.85Å
21	A	88.2	Confident	88.6	Confident	96 Å²	96	68.8 Å²	68.8	79%	0.793	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-30	176.7	0	0	0	0	0	114.3	Y19	Y19-A21 PolarHBondContact O-N 2.81Å
22	E	88	Confident	88.6	Confident	47 Å²	47	69.2 Å²	69.2	22%	0.22	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	3	-179	-61.2	-167.6	99.7	0	0	112.7	Y19 M24 H32 K33 R34	Y19-E22 CarbonylContact O-C 3.55Å; Y19-E22 PolarHBondContact O-N 3.3Å; E22-M24 PolarHBondContact O-N 3.22Å; E22-H32 CarbonylContact O-C 3.55Å; E22-H32 WeakPolarHBondContact O-CA 3.4Å; E22-H32 IonicContact OE2-CD2 3.93Å; E22-K33 PolarHBondContact O-N 3.13Å; E22-R34 IonicContact OE1-CZ 3.17Å; E22-R34 IonicContact OE1-NE 2.74Å; E22-R34 PolarHBondContact OE1-NE 3.12Å; E22-R34 IonicContact OE1-NH2 2.75Å; E22-R34 PolarHBondContact OE1-NH2 3.09Å; E22-R34 IonicContact OE2-NH2 3.52Å
23	R	88.8	Confident	88.7	Confident	150 Å²	150	71.5 Å²	71.5	57%	0.566	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	129.2	-177.7	85.4	177.4	-165.6	-82	3.1	111.7	V18 Y19 A20	V18-R23 HydrophobicContact CG1-CB 3.8Å; Y19-R23 PolarHBondContact O-N 3.35Å; A20-R23 PolarHBondContact O-NH1 2.85Å
24	M	89.2	Confident	88.8	Confident	14 Å²	14	73 Å²	73	7%	0.069	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	109.6	-178.7	170.5	155.7	-66.7	0	0	108.6	E22 I30 W31 K33 F36 L47	E22-M24 PolarHBondContact O-N 3.22Å; M24-I30 CarbonylContact O-C 3.57Å; M24-I30 WeakPolarHBondContact O-CA 2.79Å; M24-W31 HydrophobicContact CB-CB 4.32Å; M24-W31 VanDerWaalsContact CB-O 3.31Å; M24-W31 WeakPolarHBondContact CB-O 3.18Å; M24-W31 HydrophobicContact CG-CB 4.26Å; M24-W31 PolarHBondContact N-O 3.04Å; M24-W31 PolarHBondContact O-N 3.11Å; M24-K33 HydrophobicContact CE-CB 4.17Å; M24-K33 HydrophobicContact CE-CG 3.78Å; M24-F36 HydrophobicContact CG-CB 4.5Å; M24-F36 HydrophobicContact CG-CD2 4.12Å; M24-F36 HydrophobicContact CG-CE2 4.36Å; M24-F36 HydrophobicContact CG-CG 4.18Å; M24-F36 HydrophobicContact SD-CB 3.38Å; M24-F36 WeakPolarHBondContact SD-CB 3.26Å; M24-F36 HydrophobicContact SD-CD1 3.31Å; M24-F36 WeakPolarHBondContact SD-CD1 3.41Å; M24-F36 HydrophobicContact SD-CD2 3.78Å; M24-F36 HydrophobicContact SD-CE1 3.81Å; M24-F36 HydrophobicContact SD-CE2 4.3Å; M24-F36 HydrophobicContact SD-CG 3.24Å; M24-F36 WeakPolarHBondContact SD-CG 3.47Å; M24-F36 HydrophobicContact SD-CZ 4.26Å; M24-L47 HydrophobicContact CB-CD1 4.28Å; M24-L47 HydrophobicContact CE-CB 4.22Å; M24-L47 HydrophobicContact CE-CD1 3.46Å; M24-L47 VanDerWaalsContact CE-CD1 3.46Å; M24-L47 HydrophobicContact CE-CG 4.47Å; M24-L47 HydrophobicContact CG-CD1 3.25Å; M24-L47 HydrophobicContact SD-CD1 3.6Å
25	E	88	Confident	88.8	Confident	118 Å²	118	71 Å²	71	55%	0.551	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.4	178	-78.9	166.1	97.6	0	0	109.8	N29 I30	E25-N29 WeakPolarHBondContact CA-O 3.23Å; E25-I30 HydrophobicContact CB-CD1 4.43Å; E25-I30 HydrophobicContact CG-CD1 3.27Å
26	A	85.8	Confident	89	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	117.2	180	0	0	0	0	0	110.9	G28 N29 F36 Y50	A26-G28 PolarHBondContact O-N 2.75Å; A26-N29 PolarHBondContact N-O 3.4Å; A26-N29 PolarHBondContact O-N 2.77Å; A26-F36 HydrophobicContact CB-CD2 4.47Å; A26-F36 HydrophobicContact CB-CE2 3.29Å; A26-F36 HydrophobicContact CB-CZ 3.49Å; A26-F36 VanDerWaalsContact CB-CZ 3.49Å; A26-Y50 WeakPolarHBondContact CA-OH 3.35Å; A26-Y50 HydrophobicContact CB-CE2 3.64Å; A26-Y50 WeakPolarHBondContact CB-OH 3.06Å
27	G	80.1	Confident	89	Confident	55 Å²	55	59.6 Å²	59.6	57%	0.567	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	28.6	-179.5	0	0	0	0	0	114.8	N29 Q52	G27-N29 VanDerWaalsContact C-N 3.32Å; G27-Q52 VanDerWaalsContact CA-OE1 3.31Å
28	G	85.1	Confident	89.1	Confident	77 Å²	77	57.4 Å²	57.4	79%	0.794	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	4.8	-175.2	0	0	0	0	0	114.9	A26	A26-G28 PolarHBondContact O-N 2.75Å
29	N	88.2	Confident	89	Confident	52 Å²	52	60.6 Å²	60.6	28%	0.278	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	152.6	173.3	-60.6	112.2	0	0	0	111.4	V12 E25 A26 G27	V12-N29 HydrophobicContact CG1-CB 4.1Å; V12-N29 HydrophobicContact CG2-CB 4.11Å; E25-N29 WeakPolarHBondContact CA-O 3.23Å; A26-N29 PolarHBondContact N-O 3.4Å; A26-N29 PolarHBondContact O-N 2.77Å; G27-N29 VanDerWaalsContact C-N 3.32Å
30	I	90	Very high	89	Confident	18 Å²	18	58.9 Å²	58.9	9%	0.092	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.2	178.9	-48.6	-68.9	0	0	0	110.2	E9 C11 V12 V18 M24 E25	E9-I30 HydrophobicContact CB-CB 4.12Å; E9-I30 HydrophobicContact CB-CD1 4.48Å; E9-I30 HydrophobicContact CB-CG1 3.9Å; E9-I30 HydrophobicContact CB-CG2 3.7Å; E9-I30 HydrophobicContact CG-CD1 4.32Å; E9-I30 HydrophobicContact CG-CG1 4.16Å; E9-I30 HydrophobicContact CG-CG2 4.48Å; E9-I30 VanDerWaalsContact OE2-CD1 3.25Å; E9-I30 WeakPolarHBondContact OE2-CD1 3.28Å; E9-I30 VanDerWaalsContact OE2-CG1 3.28Å; E9-I30 WeakPolarHBondContact OE2-CG1 3.23Å; C11-I30 CarbonylContact C-O 3.59Å; C11-I30 VanDerWaalsContact CA-O 3.28Å; C11-I30 WeakPolarHBondContact CA-O 2.79Å; V12-I30 PolarHBondContact N-O 3.46Å; V18-I30 HydrophobicContact CB-CG2 3.97Å; V18-I30 HydrophobicContact CG1-CG2 3.9Å; V18-I30 HydrophobicContact CG2-CG2 4.01Å; M24-I30 CarbonylContact O-C 3.57Å; M24-I30 WeakPolarHBondContact O-CA 2.79Å; E25-I30 HydrophobicContact CB-CD1 4.43Å; E25-I30 HydrophobicContact CG-CD1 3.27Å
31	W	91.7	Very high	89.3	Confident	23 Å²	23	57.9 Å²	57.9	9%	0.087	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	159.2	-179.3	-54.9	79.5	0	0	0	109.5	V12 R13 M24 F36 L57	V12-W31 HydrophobicContact CG2-CD2 3.61Å; V12-W31 HydrophobicContact CG2-CE3 3.91Å; V12-W31 HydrophobicContact CG2-CG 4.37Å; V12-W31 HydrophobicContact CG2-CH2 3.45Å; V12-W31 VanDerWaalsContact CG2-CH2 3.45Å; V12-W31 HydrophobicContact CG2-CZ2 3.15Å; V12-W31 HydrophobicContact CG2-CZ3 3.83Å; R13-W31 HydrophobicContact CB-CE3 3.56Å; R13-W31 HydrophobicContact CB-CZ3 3.45Å; R13-W31 VanDerWaalsContact CB-CZ3 3.45Å; R13-W31 HydrophobicContact CG-CE3 4.03Å; R13-W31 HydrophobicContact CG-CZ3 3.62Å; M24-W31 HydrophobicContact CB-CB 4.32Å; M24-W31 VanDerWaalsContact CB-O 3.31Å; M24-W31 WeakPolarHBondContact CB-O 3.18Å; M24-W31 HydrophobicContact CG-CB 4.26Å; M24-W31 PolarHBondContact N-O 3.04Å; M24-W31 PolarHBondContact O-N 3.11Å; W31-F36 HydrophobicContact CB-CB 4.49Å; W31-F36 HydrophobicContact CB-CD2 3.74Å; W31-F36 HydrophobicContact CB-CE2 4.44Å; W31-F36 AromaticContact CD1-CE2 3.99Å; W31-F36 AromaticContact CD2-CD2 3.98Å; W31-F36 HydrophobicContact CD2-CD2 3.98Å; W31-F36 HydrophobicContact CD2-CE2 4.35Å; W31-F36 HydrophobicContact CE3-CD2 4.37Å; W31-F36 AromaticContact CG-CD2 3.65Å; W31-F36 HydrophobicContact CG-CD2 3.65Å; W31-F36 HydrophobicContact CG-CE2 4.02Å; W31-L57 HydrophobicContact CD2-CD1 3.71Å; W31-L57 HydrophobicContact CE3-CD1 3.52Å; W31-L57 HydrophobicContact CH2-CD1 3.66Å; W31-L57 HydrophobicContact CH2-CG 4.03Å; W31-L57 HydrophobicContact CZ2-CD1 3.78Å; W31-L57 HydrophobicContact CZ2-CG 4.01Å; W31-L57 HydrophobicContact CZ3-CD1 3.5Å; W31-L57 HydrophobicContact CZ3-CG 4.34Å
32	H	93.5	Very high	89.4	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.037	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	144.7	159.7	-59.1	90.8	0	0	0	109.2	C11 C14 K16 S17 V18 E22 R34 C35 F36	C11-H32 WeakPolarHBondContact CB-CE1 3.22Å; C11-H32 WeakPolarHBondContact CB-ND1 3.49Å; C11-H32 PolarHBondContact SG-N 3.45Å; C11-H32 PolarHBondContact SG-ND1 3.37Å; C14-H32 PolarHBondContact SG-CE1 3.2Å; C14-H32 PolarHBondContact SG-ND1 2.76Å; K16-H32 PolarHBondContact O-CE1 3.35Å; S17-H32 PolarHBondContact O-NE2 3.02Å; V18-H32 VanDerWaalsContact CG2-CE1 3.45Å; V18-H32 WeakPolarHBondContact CG2-CE1 3.23Å; V18-H32 WeakPolarHBondContact CG2-NE2 3.2Å; E22-H32 CarbonylContact O-C 3.55Å; E22-H32 WeakPolarHBondContact O-CA 3.4Å; E22-H32 IonicContact OE2-CD2 3.93Å; H32-R34 HydrophobicContact CB-CG 3.84Å; H32-R34 PolarHBondContact O-N 3.31Å; H32-C35 HydrophobicContact CB-CB 3.83Å; H32-C35 PolarHBondContact ND1-SG 2.85Å; H32-C35 PolarHBondContact O-N 3.49Å; H32-F36 WeakPolarHBondContact O-CB 3.1Å; H32-F36 PolarHBondContact O-N 2.85Å
33	K	88	Confident	89.5	Confident	127 Å²	127	62.2 Å²	62.2	55%	0.552	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-33.4	168.1	-164.4	177.3	-170.1	-177.4	0	113.1	E22 M24	E22-K33 PolarHBondContact O-N 3.13Å; M24-K33 HydrophobicContact CE-CB 4.17Å; M24-K33 HydrophobicContact CE-CG 3.78Å
34	R	89.1	Confident	89.6	Confident	161 Å²	161	60.4 Å²	60.4	61%	0.608	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-21.6	176.1	71.4	173.4	81.5	-169.5	6.5	115.3	E22 H32 L44	E22-R34 IonicContact OE1-CZ 3.17Å; E22-R34 IonicContact OE1-NE 2.74Å; E22-R34 PolarHBondContact OE1-NE 3.12Å; E22-R34 IonicContact OE1-NH2 2.75Å; E22-R34 PolarHBondContact OE1-NH2 3.09Å; E22-R34 IonicContact OE2-NH2 3.52Å; H32-R34 HydrophobicContact CB-CG 3.84Å; H32-R34 PolarHBondContact O-N 3.31Å; R34-L44 HydrophobicContact CB-CD2 4.47Å; R34-L44 WeakPolarHBondContact O-CD2 3.46Å
35	C	92	Very high	89.7	Confident	15 Å²	15	60.1 Å²	60.1	10%	0.101	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-10.5	179.9	-68.9	0	0	0	0	111.9	R13 C14 H32 C37	R13-C35 HydrophobicContact CB-CB 4.04Å; R13-C35 HydrophobicContact CG-CB 4.33Å; R13-C35 PolarHBondContact NE-O 3.48Å; C14-C35 VanDerWaalsContact SG-SG 3.63Å; H32-C35 HydrophobicContact CB-CB 3.83Å; H32-C35 PolarHBondContact ND1-SG 2.85Å; H32-C35 PolarHBondContact O-N 3.49Å; C35-C37 VanDerWaalsContact C-N 3.31Å; C35-C37 PolarHBondContact O-N 3.3Å; C35-C37 PolarHBondContact O-SG 3.24Å
36	F	92	Very high	89.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.327	C	S	.	.			trans	-76.5	80.7	179.1	-158.1	-117.2	0	0	0	110.7	M24 A26 W31 H32 L45 Y50 L57	M24-F36 HydrophobicContact CG-CB 4.5Å; M24-F36 HydrophobicContact CG-CD2 4.12Å; M24-F36 HydrophobicContact CG-CE2 4.36Å; M24-F36 HydrophobicContact CG-CG 4.18Å; M24-F36 HydrophobicContact SD-CB 3.38Å; M24-F36 WeakPolarHBondContact SD-CB 3.26Å; M24-F36 HydrophobicContact SD-CD1 3.31Å; M24-F36 WeakPolarHBondContact SD-CD1 3.41Å; M24-F36 HydrophobicContact SD-CD2 3.78Å; M24-F36 HydrophobicContact SD-CE1 3.81Å; M24-F36 HydrophobicContact SD-CE2 4.3Å; M24-F36 HydrophobicContact SD-CG 3.24Å; M24-F36 WeakPolarHBondContact SD-CG 3.47Å; M24-F36 HydrophobicContact SD-CZ 4.26Å; A26-F36 HydrophobicContact CB-CD2 4.47Å; A26-F36 HydrophobicContact CB-CE2 3.29Å; A26-F36 HydrophobicContact CB-CZ 3.49Å; A26-F36 VanDerWaalsContact CB-CZ 3.49Å; W31-F36 HydrophobicContact CB-CB 4.49Å; W31-F36 HydrophobicContact CB-CD2 3.74Å; W31-F36 HydrophobicContact CB-CE2 4.44Å; W31-F36 AromaticContact CD1-CE2 3.99Å; W31-F36 AromaticContact CD2-CD2 3.98Å; W31-F36 HydrophobicContact CD2-CD2 3.98Å; W31-F36 HydrophobicContact CD2-CE2 4.35Å; W31-F36 HydrophobicContact CE3-CD2 4.37Å; W31-F36 AromaticContact CG-CD2 3.65Å; W31-F36 HydrophobicContact CG-CD2 3.65Å; W31-F36 HydrophobicContact CG-CE2 4.02Å; H32-F36 WeakPolarHBondContact O-CB 3.1Å; H32-F36 PolarHBondContact O-N 2.85Å; F36-L45 HydrophobicContact CD1-CB 3.94Å; F36-L45 HydrophobicContact CE1-CB 4.43Å; F36-L45 WeakPolarHBondContact O-CA 3.45Å; F36-L45 WeakPolarHBondContact O-CB 3.41Å; F36-L45 PolarHBondContact O-N 2.88Å; F36-Y50 HydrophobicContact CD1-CG 4.39Å; F36-Y50 AromaticContact CE1-CD1 3.35Å; F36-Y50 HydrophobicContact CE1-CD1 3.35Å; F36-Y50 AromaticContact CE1-CD2 3.69Å; F36-Y50 HydrophobicContact CE1-CD2 3.69Å; F36-Y50 AromaticContact CE1-CE1 3.98Å; F36-Y50 HydrophobicContact CE1-CE1 3.98Å; F36-Y50 HydrophobicContact CE1-CE2 4.29Å; F36-Y50 AromaticContact CE1-CG 3.12Å; F36-Y50 HydrophobicContact CE1-CG 3.12Å; F36-Y50 HydrophobicContact CE2-CD2 4.18Å; F36-Y50 HydrophobicContact CE2-CE2 4.35Å; F36-Y50 HydrophobicContact CE2-CG 4.44Å; F36-Y50 AromaticContact CZ-CD1 3.53Å; F36-Y50 HydrophobicContact CZ-CD1 3.53Å; F36-Y50 AromaticContact CZ-CD2 3.18Å; F36-Y50 HydrophobicContact CZ-CD2 3.18Å; F36-Y50 AromaticContact CZ-CE1 3.77Å; F36-Y50 HydrophobicContact CZ-CE1 3.77Å; F36-Y50 AromaticContact CZ-CE2 3.47Å; F36-Y50 HydrophobicContact CZ-CE2 3.47Å; F36-Y50 VanDerWaalsContact CZ-CE2 3.47Å; F36-Y50 AromaticContact CZ-CG 3.17Å; F36-Y50 HydrophobicContact CZ-CG 3.17Å; F36-Y50 AromaticContact CZ-CZ 3.73Å; F36-L57 HydrophobicContact CD2-CD1 3.21Å; F36-L57 HydrophobicContact CD2-CD2 4.22Å; F36-L57 HydrophobicContact CD2-CG 4.34Å; F36-L57 HydrophobicContact CE2-CD1 3.32Å; F36-L57 HydrophobicContact CE2-CD2 3.42Å; F36-L57 VanDerWaalsContact CE2-CD2 3.42Å; F36-L57 HydrophobicContact CE2-CG 4.01Å; F36-L57 HydrophobicContact CG-CD1 4.04Å; F36-L57 HydrophobicContact CZ-CD1 4.26Å; F36-L57 HydrophobicContact CZ-CD2 3.81Å
37	C	92.5	Very high	89.7	Confident	13 Å²	13	63 Å²	63	9%	0.088	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-125.4	156.7	-174.9	55.4	0	0	0	0	111.4	R13 C35 M43	R13-C37 PolarHBondContact NH2-SG 3.16Å; C35-C37 VanDerWaalsContact C-N 3.31Å; C35-C37 PolarHBondContact O-N 3.3Å; C35-C37 PolarHBondContact O-SG 3.24Å; C37-M43 CarbonylContact C-O 3.55Å; C37-M43 WeakPolarHBondContact CA-O 3.07Å; C37-M43 WeakPolarHBondContact CB-O 3.32Å
38	C	93.4	Very high	90	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.356	C	S	.	.			trans	-68.5	132.1	178.8	-177	0	0	0	0	110.6	K40 C41 D42 M43 L45 L57 C59	C38-K40 PolarHBondContact O-N 2.75Å; C38-K40 PolarHBondContact SG-N 3.11Å; C38-C41 WeakPolarHBondContact CB-SG 3.47Å; C38-C41 VanDerWaalsContact SG-SG 3.67Å; C38-D42 WeakPolarHBondContact O-CA 3.32Å; C38-D42 PolarHBondContact O-N 2.8Å; C38-M43 PolarHBondContact N-O 3.34Å; C38-L45 HydrophobicContact CB-CD1 3.88Å; C38-L45 HydrophobicContact CB-CD2 4.26Å; C38-L45 HydrophobicContact CB-CG 4.21Å; C38-L57 CarbonylContact C-O 3.48Å; C38-L57 WeakPolarHBondContact CA-O 3.5Å; C38-C59 HydrophobicContact CB-CB 4.09Å; C38-C59 PolarHBondContact SG-N 2.93Å
39	S	88.8	Confident	90.1	Very high	71 Å²	71	65.9 Å²	65.9	50%	0.497	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.2	177.6	-166.8	0	0	0	0	114.5	L57	S39-L57 PolarHBondContact N-O 2.93Å
40	K	90.6	Very high	90.2	Very high	116 Å²	116	65.9 Å²	65.9	50%	0.504	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-36.2	179.8	-68.7	-80.3	-174.8	165	0	113.5	C38 Y58 H62 E66	C38-K40 PolarHBondContact O-N 2.75Å; C38-K40 PolarHBondContact SG-N 3.11Å; K40-Y58 HydrophobicContact CD-CE1 4.38Å; K40-Y58 HydrophobicContact CG-CD1 3.79Å; K40-Y58 HydrophobicContact CG-CE1 3.64Å; K40-H62 HydrophobicContact CB-CB 4.24Å; K40-H62 HydrophobicContact CG-CB 4.2Å; K40-E66 WeakPolarHBondContact CE-OE1 3.23Å; K40-E66 VanDerWaalsContact CE-OE2 3.23Å; K40-E66 WeakPolarHBondContact CE-OE2 3.28Å; K40-E66 IonicContact NZ-OE1 3.34Å; K40-E66 PolarHBondContact NZ-OE1 2.76Å; K40-E66 IonicContact NZ-OE2 2.75Å; K40-E66 PolarHBondContact NZ-OE2 3.41Å
41	C	93.4	Very high	90.3	Very high	54 Å²	54	67.2 Å²	67.2	37%	0.365	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	2.7	-176.4	59.7	0	0	0	0	113.9	C38 M43 H62	C38-C41 WeakPolarHBondContact CB-SG 3.47Å; C38-C41 VanDerWaalsContact SG-SG 3.67Å; C41-M43 PolarHBondContact O-N 3.07Å; C41-M43 VanDerWaalsContact SG-CB 3.55Å; C41-H62 PolarHBondContact SG-CE1 3.3Å; C41-H62 PolarHBondContact SG-ND1 3.45Å
42	D	89.1	Confident	90	Very high	111 Å²	111	68.6 Å²	68.6	59%	0.594	35%	0.345	S	S	*	.			trans	52.9	16.7	-177.8	-66.2	-85.2	0	0	0	114.5	C38	C38-D42 WeakPolarHBondContact O-CA 3.32Å; C38-D42 PolarHBondContact O-N 2.8Å
43	M	91.4	Very high	89.6	Confident	123 Å²	123	69.1 Å²	69.1	61%	0.606	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-73.3	135.1	179.4	-180	175.4	-92.2	0	0	110.2	C37 C38 C41 L45	C37-M43 CarbonylContact C-O 3.55Å; C37-M43 WeakPolarHBondContact CA-O 3.07Å; C37-M43 WeakPolarHBondContact CB-O 3.32Å; C38-M43 PolarHBondContact N-O 3.34Å; C41-M43 PolarHBondContact O-N 3.07Å; C41-M43 VanDerWaalsContact SG-CB 3.55Å; M43-L45 WeakPolarHBondContact O-CG 3.12Å; M43-L45 PolarHBondContact O-N 3.22Å
44	L	90.4	Very high	89.4	Confident	111 Å²	111	68.7 Å²	68.7	58%	0.581	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-56	119.6	172.1	-74.7	155	0	0	0	111	R34	R34-L44 HydrophobicContact CB-CD2 4.47Å; R34-L44 WeakPolarHBondContact O-CD2 3.46Å
45	L	91.6	Very high	88.9	Confident	9 Å²	9	70.6 Å²	70.6	5%	0.047	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-103.6	164.7	175	-52.9	178.7	0	0	0	109.9	F36 C38 M43 Y58 C59	F36-L45 HydrophobicContact CD1-CB 3.94Å; F36-L45 HydrophobicContact CE1-CB 4.43Å; F36-L45 WeakPolarHBondContact O-CA 3.45Å; F36-L45 WeakPolarHBondContact O-CB 3.41Å; F36-L45 PolarHBondContact O-N 2.88Å; C38-L45 HydrophobicContact CB-CD1 3.88Å; C38-L45 HydrophobicContact CB-CD2 4.26Å; C38-L45 HydrophobicContact CB-CG 4.21Å; M43-L45 WeakPolarHBondContact O-CG 3.12Å; M43-L45 PolarHBondContact O-N 3.22Å; L45-Y58 WeakPolarHBondContact CD1-O 3.39Å; L45-C59 HydrophobicContact CD1-CB 4.27Å; L45-C59 HydrophobicContact CD2-CB 3.31Å; L45-C59 HydrophobicContact CG-CB 4.4Å
46	N	88.1	Confident	88.6	Confident	85 Å²	85	73 Å²	73	46%	0.455	37%	0.372	S	S	.	.			trans	-125.1	158.4	180	-60.3	-76.7	0	0	0	109.1	N48 N49 Y50	N46-N48 PolarHBondContact O-N 3.19Å; N46-N49 CarbonylContact O-C 3.53Å; N46-N49 PolarHBondContact O-N 3.48Å; N46-Y50 WeakPolarHBondContact O-CD1 3.45Å; N46-Y50 PolarHBondContact O-N 3.27Å; N46-Y50 VanDerWaalsContact O-N 3.11Å
47	L	84.6	Confident	88.5	Confident	95 Å²	95	73.2 Å²	73.2	50%	0.497	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.3	174.8	-127.4	82.9	0	0	0	113.9	M24 Y50	M24-L47 HydrophobicContact CB-CD1 4.28Å; M24-L47 HydrophobicContact CE-CB 4.22Å; M24-L47 HydrophobicContact CE-CD1 3.46Å; M24-L47 VanDerWaalsContact CE-CD1 3.46Å; M24-L47 HydrophobicContact CE-CG 4.47Å; M24-L47 HydrophobicContact CG-CD1 3.25Å; M24-L47 HydrophobicContact SD-CD1 3.6Å; L47-Y50 HydrophobicContact CB-CE1 4.49Å; L47-Y50 HydrophobicContact CD1-CE1 4.43Å; L47-Y50 HydrophobicContact CG-CE1 4.05Å; L47-Y50 WeakPolarHBondContact O-CD1 3.35Å; L47-Y50 VanDerWaalsContact O-CE1 3.29Å; L47-Y50 WeakPolarHBondContact O-CE1 2.99Å
48	N	86.6	Confident	88.4	Confident	128 Å²	128	73.4 Å²	73.4	68%	0.684	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-20.5	-179.6	-166.9	83.3	0	0	0	114	N46	N46-N48 PolarHBondContact O-N 3.19Å
49	N	87.4	Confident	88.5	Confident	63 Å²	63	74 Å²	74	34%	0.337	38%	0.376	S	S	.	.	S	Bend	trans	-140.2	32.3	-170.4	-70.8	-70.4	0	0	0	113	N46 K60	N46-N49 CarbonylContact O-C 3.53Å; N46-N49 PolarHBondContact O-N 3.48Å; N49-K60 HydrophobicContact CB-CD 4.35Å; N49-K60 WeakPolarHBondContact OD1-CD 3.38Å; N49-K60 WeakPolarHBondContact OD1-CE 3.31Å; N49-K60 PolarHBondContact OD1-NZ 3.36Å
50	Y	90.2	Very high	88.6	Confident	53 Å²	53	75.7 Å²	75.7	21%	0.208	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	156.8	170	82.7	-78.8	0	0	0	109.9	A26 F36 N46 L47 Q52 L57	A26-Y50 WeakPolarHBondContact CA-OH 3.35Å; A26-Y50 HydrophobicContact CB-CE2 3.64Å; A26-Y50 WeakPolarHBondContact CB-OH 3.06Å; F36-Y50 HydrophobicContact CD1-CG 4.39Å; F36-Y50 AromaticContact CE1-CD1 3.35Å; F36-Y50 HydrophobicContact CE1-CD1 3.35Å; F36-Y50 AromaticContact CE1-CD2 3.69Å; F36-Y50 HydrophobicContact CE1-CD2 3.69Å; F36-Y50 AromaticContact CE1-CE1 3.98Å; F36-Y50 HydrophobicContact CE1-CE1 3.98Å; F36-Y50 HydrophobicContact CE1-CE2 4.29Å; F36-Y50 AromaticContact CE1-CG 3.12Å; F36-Y50 HydrophobicContact CE1-CG 3.12Å; F36-Y50 HydrophobicContact CE2-CD2 4.18Å; F36-Y50 HydrophobicContact CE2-CE2 4.35Å; F36-Y50 HydrophobicContact CE2-CG 4.44Å; F36-Y50 AromaticContact CZ-CD1 3.53Å; F36-Y50 HydrophobicContact CZ-CD1 3.53Å; F36-Y50 AromaticContact CZ-CD2 3.18Å; F36-Y50 HydrophobicContact CZ-CD2 3.18Å; F36-Y50 AromaticContact CZ-CE1 3.77Å; F36-Y50 HydrophobicContact CZ-CE1 3.77Å; F36-Y50 AromaticContact CZ-CE2 3.47Å; F36-Y50 HydrophobicContact CZ-CE2 3.47Å; F36-Y50 VanDerWaalsContact CZ-CE2 3.47Å; F36-Y50 AromaticContact CZ-CG 3.17Å; F36-Y50 HydrophobicContact CZ-CG 3.17Å; F36-Y50 AromaticContact CZ-CZ 3.73Å; N46-Y50 WeakPolarHBondContact O-CD1 3.45Å; N46-Y50 PolarHBondContact O-N 3.27Å; N46-Y50 VanDerWaalsContact O-N 3.11Å; L47-Y50 HydrophobicContact CB-CE1 4.49Å; L47-Y50 HydrophobicContact CD1-CE1 4.43Å; L47-Y50 HydrophobicContact CG-CE1 4.05Å; L47-Y50 WeakPolarHBondContact O-CD1 3.35Å; L47-Y50 VanDerWaalsContact O-CE1 3.29Å; L47-Y50 WeakPolarHBondContact O-CE1 2.99Å; Y50-Q52 HydrophobicContact CE2-CB 4.41Å; Y50-L57 HydrophobicContact CD2-CD2 3.87Å; Y50-L57 HydrophobicContact CE2-CD2 4.29Å
51	N	91.5	Very high	88.6	Confident	46 Å²	46	77.9 Å²	77.9	25%	0.246	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.1	163.9	-78.8	76.6	0	0	0	108.8	Y58 Y63	N51-Y58 PolarHBondContact N-O 3Å; N51-Y58 PolarHBondContact O-N 3.01Å; N51-Y63 HydrophobicContact CB-CD1 3.41Å; N51-Y63 VanDerWaalsContact CB-CD1 3.41Å; N51-Y63 HydrophobicContact CB-CD2 3.19Å; N51-Y63 HydrophobicContact CB-CE1 3.71Å; N51-Y63 HydrophobicContact CB-CE2 3.48Å; N51-Y63 VanDerWaalsContact CB-CE2 3.48Å; N51-Y63 HydrophobicContact CB-CG 3.1Å; N51-Y63 VanDerWaalsContact ND2-CD1 3.33Å; N51-Y63 WeakPolarHBondContact ND2-CD1 3.11Å; N51-Y63 WeakPolarHBondContact ND2-CE1 3.39Å
52	Q	86.7	Confident	88.6	Confident	51 Å²	51	77.9 Å²	77.9	24%	0.238	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.8	174.8	-168.1	-173.3	54.4	0	0	108.5	G27 Y50 I56 L57	G27-Q52 VanDerWaalsContact CA-OE1 3.31Å; Y50-Q52 HydrophobicContact CE2-CB 4.41Å; Q52-I56 CarbonylContact C-O 3.46Å; Q52-I56 VanDerWaalsContact CA-O 3.32Å; Q52-I56 WeakPolarHBondContact CA-O 3.38Å; Q52-L57 HydrophobicContact CB-CD2 4.15Å; Q52-L57 HydrophobicContact CG-CD2 4.16Å
53	S	85.1	Confident	88.7	Confident	19 Å²	19	75.6 Å²	75.6	13%	0.133	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.6	172.4	-166.4	0	0	0	0	108.1	R55 I56	S53-R55 VanDerWaalsContact C-N 3.27Å; S53-R55 PolarHBondContact O-N 2.74Å; S53-I56 PolarHBondContact N-O 2.85Å; S53-I56 WeakPolarHBondContact O-CA 3.33Å; S53-I56 WeakPolarHBondContact O-CB 3.17Å; S53-I56 PolarHBondContact O-N 3.23Å
54	D	82.7	Confident	88.7	Confident	119 Å²	119	76 Å²	76	64%	0.636	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	43.5	175.7	-164.2	-148.1	0	0	0	113.4	I56 K70	D54-I56 PolarHBondContact O-N 2.98Å; D54-K70 IonicContact OD1-NZ 3.12Å; D54-K70 PolarHBondContact OD1-NZ 3.32Å; D54-K70 VanDerWaalsContact OD1-NZ 3.12Å
55	R	79.8	Confident	88.8	Confident	201 Å²	201	77 Å²	77	76%	0.758	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	4.3	-174.9	-49.8	178.6	179.4	-152.6	-1.8	115.9	S53	S53-R55 VanDerWaalsContact C-N 3.27Å; S53-R55 PolarHBondContact O-N 2.74Å
56	I	85.7	Confident	88.6	Confident	64 Å²	64	78.4 Å²	78.4	33%	0.328	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	139.5	175.4	-49.6	-59.8	0	0	0	110.6	Q52 S53 D54 Y58	Q52-I56 CarbonylContact C-O 3.46Å; Q52-I56 VanDerWaalsContact CA-O 3.32Å; Q52-I56 WeakPolarHBondContact CA-O 3.38Å; S53-I56 PolarHBondContact N-O 2.85Å; S53-I56 WeakPolarHBondContact O-CA 3.33Å; S53-I56 WeakPolarHBondContact O-CB 3.17Å; S53-I56 PolarHBondContact O-N 3.23Å; D54-I56 PolarHBondContact O-N 2.98Å; I56-Y58 HydrophobicContact CB-CD2 4.42Å; I56-Y58 HydrophobicContact CB-CE2 3.54Å; I56-Y58 HydrophobicContact CG2-CD2 4.35Å; I56-Y58 HydrophobicContact CG2-CE1 3.89Å; I56-Y58 HydrophobicContact CG2-CE2 3.58Å; I56-Y58 VanDerWaalsContact CG2-OH 3.23Å; I56-Y58 WeakPolarHBondContact CG2-OH 3.24Å; I56-Y58 WeakPolarHBondContact O-CD2 3.47Å
57	L	88.5	Confident	88.4	Confident	5 Å²	5	76.7 Å²	76.7	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131	179.4	-64.3	174	0	0	0	111.5	W31 F36 C38 S39 Y50 Q52	W31-L57 HydrophobicContact CD2-CD1 3.71Å; W31-L57 HydrophobicContact CE3-CD1 3.52Å; W31-L57 HydrophobicContact CH2-CD1 3.66Å; W31-L57 HydrophobicContact CH2-CG 4.03Å; W31-L57 HydrophobicContact CZ2-CD1 3.78Å; W31-L57 HydrophobicContact CZ2-CG 4.01Å; W31-L57 HydrophobicContact CZ3-CD1 3.5Å; W31-L57 HydrophobicContact CZ3-CG 4.34Å; F36-L57 HydrophobicContact CD2-CD1 3.21Å; F36-L57 HydrophobicContact CD2-CD2 4.22Å; F36-L57 HydrophobicContact CD2-CG 4.34Å; F36-L57 HydrophobicContact CE2-CD1 3.32Å; F36-L57 HydrophobicContact CE2-CD2 3.42Å; F36-L57 VanDerWaalsContact CE2-CD2 3.42Å; F36-L57 HydrophobicContact CE2-CG 4.01Å; F36-L57 HydrophobicContact CG-CD1 4.04Å; F36-L57 HydrophobicContact CZ-CD1 4.26Å; F36-L57 HydrophobicContact CZ-CD2 3.81Å; C38-L57 CarbonylContact C-O 3.48Å; C38-L57 WeakPolarHBondContact CA-O 3.5Å; S39-L57 PolarHBondContact N-O 2.93Å; Y50-L57 HydrophobicContact CD2-CD2 3.87Å; Y50-L57 HydrophobicContact CE2-CD2 4.29Å; Q52-L57 HydrophobicContact CB-CD2 4.15Å; Q52-L57 HydrophobicContact CG-CD2 4.16Å
58	Y	91.8	Very high	88.4	Confident	18 Å²	18	78.9 Å²	78.9	7%	0.071	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146	179.4	-62.5	-74.6	0	0	0	111.2	K40 L45 N51 I56 H62 Y63 E66	K40-Y58 HydrophobicContact CD-CE1 4.38Å; K40-Y58 HydrophobicContact CG-CD1 3.79Å; K40-Y58 HydrophobicContact CG-CE1 3.64Å; L45-Y58 WeakPolarHBondContact CD1-O 3.39Å; N51-Y58 PolarHBondContact N-O 3Å; N51-Y58 PolarHBondContact O-N 3.01Å; I56-Y58 HydrophobicContact CB-CD2 4.42Å; I56-Y58 HydrophobicContact CB-CE2 3.54Å; I56-Y58 HydrophobicContact CG2-CD2 4.35Å; I56-Y58 HydrophobicContact CG2-CE1 3.89Å; I56-Y58 HydrophobicContact CG2-CE2 3.58Å; I56-Y58 VanDerWaalsContact CG2-OH 3.23Å; I56-Y58 WeakPolarHBondContact CG2-OH 3.24Å; I56-Y58 WeakPolarHBondContact O-CD2 3.47Å; Y58-H62 HydrophobicContact CD1-CB 4.41Å; Y58-Y63 HydrophobicContact CD2-CD2 4.4Å; Y58-E66 WeakPolarHBondContact CE1-OE1 3.09Å; Y58-E66 PolarHBondContact OH-OE1 3.39Å
59	C	93.9	Very high	88.2	Confident	13 Å²	13	75.7 Å²	75.7	9%	0.088	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	157.7	170.8	75.4	0	0	0	0	109.4	C38 L45 K61 H62 Y63	C38-C59 HydrophobicContact CB-CB 4.09Å; C38-C59 PolarHBondContact SG-N 2.93Å; L45-C59 HydrophobicContact CD1-CB 4.27Å; L45-C59 HydrophobicContact CD2-CB 3.31Å; L45-C59 HydrophobicContact CG-CB 4.4Å; C59-K61 PolarHBondContact O-N 2.95Å; C59-H62 PolarHBondContact O-N 2.97Å; C59-H62 VanDerWaalsContact O-N 3.11Å; C59-H62 PolarHBondContact SG-N 2.96Å; C59-H62 PolarHBondContact SG-ND1 2.87Å; C59-Y63 WeakPolarHBondContact O-CB 3.36Å; C59-Y63 PolarHBondContact O-N 2.77Å
60	K	91.1	Very high	87.5	Confident	105 Å²	105	75 Å²	75	46%	0.457	36%	0.36	S	S	.	.	H	α-helix	trans	-47	-41.5	177.7	-81.4	-173.8	170.5	171.4	0	113.3	N49 Q64	N49-K60 HydrophobicContact CB-CD 4.35Å; N49-K60 WeakPolarHBondContact OD1-CD 3.38Å; N49-K60 WeakPolarHBondContact OD1-CE 3.31Å; N49-K60 PolarHBondContact OD1-NZ 3.36Å; K60-Q64 VanDerWaalsContact O-CG 3.26Å; K60-Q64 WeakPolarHBondContact O-CG 3.49Å; K60-Q64 PolarHBondContact O-N 3.5Å; K60-Q64 VanDerWaalsContact O-N 3.13Å; K60-Q64 PolarHBondContact O-OE1 2.77Å
61	K	91.9	Very high	86.5	Confident	162 Å²	162	78.2 Å²	78.2	70%	0.704	38%	0.381	S	S	*	.	H	α-helix	trans	-67.2	-46.5	179.3	-66.9	-170.6	174.9	-179.5	0	114.2	C59 Q64	C59-K61 PolarHBondContact O-N 2.95Å; K61-Q64 WeakPolarHBondContact O-CG 3.29Å
62	H	93	Very high	85.4	Confident	55 Å²	55	82 Å²	82	26%	0.255	41%	0.405	S	S	.	.	H	α-helix	trans	-79.3	-29.6	178.5	-67.2	129.6	0	0	0	111.8	K40 C41 Y58 C59 E65 E66	K40-H62 HydrophobicContact CB-CB 4.24Å; K40-H62 HydrophobicContact CG-CB 4.2Å; C41-H62 PolarHBondContact SG-CE1 3.3Å; C41-H62 PolarHBondContact SG-ND1 3.45Å; Y58-H62 HydrophobicContact CD1-CB 4.41Å; C59-H62 PolarHBondContact O-N 2.97Å; C59-H62 VanDerWaalsContact O-N 3.11Å; C59-H62 PolarHBondContact SG-N 2.96Å; C59-H62 PolarHBondContact SG-ND1 2.87Å; H62-E65 PolarHBondContact O-N 2.96Å; H62-E66 WeakPolarHBondContact O-CB 3.45Å; H62-E66 PolarHBondContact O-N 3.37Å
63	Y	91.8	Very high	83.8	Confident	63 Å²	63	85.7 Å²	85.7	25%	0.247	42%	0.423	C	S	.	.	H	α-helix	trans	-65.2	-47.7	176.9	179.4	-102.7	0	0	0	111.3	N51 Y58 C59 E65 E66 V67	N51-Y63 HydrophobicContact CB-CD1 3.41Å; N51-Y63 VanDerWaalsContact CB-CD1 3.41Å; N51-Y63 HydrophobicContact CB-CD2 3.19Å; N51-Y63 HydrophobicContact CB-CE1 3.71Å; N51-Y63 HydrophobicContact CB-CE2 3.48Å; N51-Y63 VanDerWaalsContact CB-CE2 3.48Å; N51-Y63 HydrophobicContact CB-CG 3.1Å; N51-Y63 VanDerWaalsContact ND2-CD1 3.33Å; N51-Y63 WeakPolarHBondContact ND2-CD1 3.11Å; N51-Y63 WeakPolarHBondContact ND2-CE1 3.39Å; Y58-Y63 HydrophobicContact CD2-CD2 4.4Å; C59-Y63 WeakPolarHBondContact O-CB 3.36Å; C59-Y63 PolarHBondContact O-N 2.77Å; Y63-E65 VanDerWaalsContact C-N 3.25Å; Y63-E65 PolarHBondContact O-N 2.95Å; Y63-E66 PolarHBondContact O-N 2.75Å; Y63-V67 HydrophobicContact CD1-CG2 3.88Å; Y63-V67 HydrophobicContact CD2-CG2 3.66Å; Y63-V67 HydrophobicContact CE1-CB 4.48Å; Y63-V67 HydrophobicContact CE1-CG2 3.57Å; Y63-V67 HydrophobicContact CE2-CG2 3.35Å; Y63-V67 HydrophobicContact CG-CG2 3.95Å; Y63-V67 VanDerWaalsContact O-CB 3.23Å; Y63-V67 WeakPolarHBondContact O-CB 3.48Å; Y63-V67 WeakPolarHBondContact O-CG2 3.36Å; Y63-V67 PolarHBondContact O-N 3.01Å
64	Q	90.9	Very high	82.1	Confident	132 Å²	132	90.3 Å²	90.3	62%	0.617	45%	0.45	S	S	*	.	H	α-helix	trans	-58.7	-40.4	176.6	61.4	-175.1	71.9	0	0	111.5	K60 K61 L68	K60-Q64 VanDerWaalsContact O-CG 3.26Å; K60-Q64 WeakPolarHBondContact O-CG 3.49Å; K60-Q64 PolarHBondContact O-N 3.5Å; K60-Q64 VanDerWaalsContact O-N 3.13Å; K60-Q64 PolarHBondContact O-OE1 2.77Å; K61-Q64 WeakPolarHBondContact O-CG 3.29Å; Q64-L68 VanDerWaalsContact O-CB 3.23Å; Q64-L68 WeakPolarHBondContact O-CB 3.47Å; Q64-L68 PolarHBondContact O-N 2.87Å
65	E	90.9	Very high	80.5	Confident	132 Å²	132	89.7 Å²	89.7	62%	0.617	45%	0.453	S	S	*	.	H	α-helix	trans	-70.8	-44.1	-179.9	-169.9	169	83	0	0	111.4	H62 Y63 L68 A69	H62-E65 PolarHBondContact O-N 2.96Å; Y63-E65 VanDerWaalsContact C-N 3.25Å; Y63-E65 PolarHBondContact O-N 2.95Å; E65-L68 PolarHBondContact O-N 3.2Å; E65-A69 PolarHBondContact O-N 2.75Å
66	E	87.9	Confident	79.2	Confident	37 Å²	37	91.6 Å²	91.6	17%	0.173	48%	0.475	C	S	.	.	H	α-helix	trans	-71.3	-38.7	178.1	-167.8	116.5	74.3	0	0	112	K40 Y58 H62 Y63 L68 A69 K70	K40-E66 WeakPolarHBondContact CE-OE1 3.23Å; K40-E66 VanDerWaalsContact CE-OE2 3.23Å; K40-E66 WeakPolarHBondContact CE-OE2 3.28Å; K40-E66 IonicContact NZ-OE1 3.34Å; K40-E66 PolarHBondContact NZ-OE1 2.76Å; K40-E66 IonicContact NZ-OE2 2.75Å; K40-E66 PolarHBondContact NZ-OE2 3.41Å; Y58-E66 WeakPolarHBondContact CE1-OE1 3.09Å; Y58-E66 PolarHBondContact OH-OE1 3.39Å; H62-E66 WeakPolarHBondContact O-CB 3.45Å; H62-E66 PolarHBondContact O-N 3.37Å; Y63-E66 PolarHBondContact O-N 2.75Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-A69 CarbonylContact O-C 3.55Å; E66-A69 WeakPolarHBondContact O-CA 3.36Å; E66-A69 WeakPolarHBondContact O-CB 3.31Å; E66-A69 PolarHBondContact O-N 2.89Å; E66-A69 VanDerWaalsContact O-N 3.15Å; E66-K70 HydrophobicContact CG-CD 4.43Å; E66-K70 VanDerWaalsContact O-CB 3.28Å; E66-K70 WeakPolarHBondContact O-CB 3.4Å; E66-K70 PolarHBondContact O-N 2.93Å
67	V	84.3	Confident	78.8	Confident	50 Å²	50	93 Å²	93	30%	0.303	48%	0.483	S	S	.	.	H	α-helix	trans	-66.6	-38.6	175.4	170.2	0	0	0	0	110.7	Y63 A69 K70 N71	Y63-V67 HydrophobicContact CD1-CG2 3.88Å; Y63-V67 HydrophobicContact CD2-CG2 3.66Å; Y63-V67 HydrophobicContact CE1-CB 4.48Å; Y63-V67 HydrophobicContact CE1-CG2 3.57Å; Y63-V67 HydrophobicContact CE2-CG2 3.35Å; Y63-V67 HydrophobicContact CG-CG2 3.95Å; Y63-V67 VanDerWaalsContact O-CB 3.23Å; Y63-V67 WeakPolarHBondContact O-CB 3.48Å; Y63-V67 WeakPolarHBondContact O-CG2 3.36Å; Y63-V67 PolarHBondContact O-N 3.01Å; V67-A69 PolarHBondContact O-N 2.9Å; V67-K70 PolarHBondContact O-N 2.96Å; V67-N71 WeakPolarHBondContact O-CB 3.36Å; V67-N71 PolarHBondContact O-N 2.89Å
68	L	84.6	Confident	78.3	Confident	140 Å²	140	97.6 Å²	97.6	73%	0.733	51%	0.507	S	S	*	.	H	α-helix	trans	-59	-40.1	171.4	-175.7	63.2	0	0	0	110.8	Q64 E65 E66	Q64-L68 VanDerWaalsContact O-CB 3.23Å; Q64-L68 WeakPolarHBondContact O-CB 3.47Å; Q64-L68 PolarHBondContact O-N 2.87Å; E65-L68 PolarHBondContact O-N 3.2Å; E66-L68 VanDerWaalsContact C-N 3.33Å
69	A	81.6	Confident	77.6	Confident	61 Å²	61	102 Å²	102	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-73.9	-37.7	174.6	0	0	0	0	0	114	E65 E66 V67	E65-A69 PolarHBondContact O-N 2.75Å; E66-A69 CarbonylContact O-C 3.55Å; E66-A69 WeakPolarHBondContact O-CA 3.36Å; E66-A69 WeakPolarHBondContact O-CB 3.31Å; E66-A69 PolarHBondContact O-N 2.89Å; E66-A69 VanDerWaalsContact O-N 3.15Å; V67-A69 PolarHBondContact O-N 2.9Å
70	K	73.5	Confident	76.6	Confident	49 Å²	49	107.2 Å²	107.2	21%	0.213	56%	0.557	C	S	.	*	H	α-helix	trans	-80.2	-14.9	-179	-105.9	178.6	177.9	-83.9	0	112.5	D54 E66 V67 T72 Q73	D54-K70 IonicContact OD1-NZ 3.12Å; D54-K70 PolarHBondContact OD1-NZ 3.32Å; D54-K70 VanDerWaalsContact OD1-NZ 3.12Å; E66-K70 HydrophobicContact CG-CD 4.43Å; E66-K70 VanDerWaalsContact O-CB 3.28Å; E66-K70 WeakPolarHBondContact O-CB 3.4Å; E66-K70 PolarHBondContact O-N 2.93Å; V67-K70 PolarHBondContact O-N 2.96Å; K70-T72 PolarHBondContact O-N 3.19Å; K70-T72 VanDerWaalsContact O-N 3.16Å; K70-Q73 WeakPolarHBondContact O-CA 3.25Å; K70-Q73 WeakPolarHBondContact O-CB 3.28Å; K70-Q73 PolarHBondContact O-N 3.18Å
71	N	69.6	Low	75.7	Confident	121 Å²	121	107.4 Å²	107.4	65%	0.647	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-61.1	-20.8	171.6	-167.4	-107.2	0	0	0	111.6	V67 Q73	V67-N71 WeakPolarHBondContact O-CB 3.36Å; V67-N71 PolarHBondContact O-N 2.89Å; N71-Q73 VanDerWaalsContact C-N 3.28Å; N71-Q73 PolarHBondContact O-N 2.93Å
72	T	67.4	Low	74.6	Confident	125 Å²	125	103.7 Å²	103.7	77%	0.767	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-71	-18.5	167.2	-58.5	0	0	0	0	113.7	K70 T74	K70-T72 PolarHBondContact O-N 3.19Å; K70-T72 VanDerWaalsContact O-N 3.16Å; T72-T74 PolarHBondContact O-N 2.91Å
73	Q	54.4	Low	73.3	Confident	128 Å²	128	107.2 Å²	107.2	60%	0.598	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-97.1	42.2	178.9	-63	-177.9	68.5	0	0	113.2	K70 N71 P75	K70-Q73 WeakPolarHBondContact O-CA 3.25Å; K70-Q73 WeakPolarHBondContact O-CB 3.28Å; K70-Q73 PolarHBondContact O-N 3.18Å; N71-Q73 VanDerWaalsContact C-N 3.28Å; N71-Q73 PolarHBondContact O-N 2.93Å; Q73-P75 WeakPolarHBondContact O-CD 3.3Å
74	T	48.7	Very low	71.9	Confident	116 Å²	116	110.6 Å²	110.6	71%	0.712	60%	0.601	S	S	*	*			trans	-94.9	80.5	148.4	47.5	0	0	0	0	110.2	T72	T72-T74 PolarHBondContact O-N 2.91Å
75	P	48.8	Very low	70.3	Confident	107 Å²	107	108.8 Å²	108.8	70%	0.695	60%	0.599	S	S	*	*			trans	-82	102.6	146	31	-25.8	0	0	0	108.9	Q73	Q73-P75 WeakPolarHBondContact O-CD 3.3Å
76	I	52.2	Low	68.5	Low	240 Å²	240	106.7 Å²	106.7	100%	1.231	60%	0.598	S	S	*	*			trans	71.3	0	157	-44.3	-173.2	0	0	0	117.5

Retrieved 76 of 76 residues in 112.4 ms (Link to these results)

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