G4VBB1_SCHMA Loading...

Putative kunitz-type protease inhibitor

AlphaFold DB , UniProt , Accession G4VBB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 aa.

						>G4VBB1_SCHMA|G4VBB1
MKKGYCLQNKPRFYYNPAENKCLPFSFSGCGGNENRFHTMEKCESFCKKTIVGTENKKPSTTPAGQRTNEPTTRIIYITKSSRRK
					

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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	80.1	Confident	91.3	Very high	110 Å²	110	109.2 Å²	109.2	54%	0.542	55%	0.548	S	S	.	.				0	148	0	159.5	-80.1	-168.2	0	0	109	K3 Y14 F25	M1-K3 HydrophobicContact CE-CB 3.78Å; M1-Y14 HydrophobicContact CB-CD1 4.15Å; M1-Y14 HydrophobicContact CB-CD2 3.77Å; M1-Y14 HydrophobicContact CB-CE1 4.26Å; M1-Y14 HydrophobicContact CB-CE2 3.92Å; M1-Y14 HydrophobicContact CB-CG 3.89Å; M1-Y14 HydrophobicContact CG-CD1 4.1Å; M1-Y14 HydrophobicContact CG-CE1 4.31Å; M1-Y14 HydrophobicContact CG-CG 4.22Å; M1-F25 HydrophobicContact CE-CB 4.02Å; M1-F25 HydrophobicContact CE-CD2 3.43Å; M1-F25 VanDerWaalsContact CE-CD2 3.43Å; M1-F25 HydrophobicContact CE-CE2 4.2Å; M1-F25 HydrophobicContact CE-CG 4.08Å; M1-F25 HydrophobicContact CG-CB 4.33Å; M1-F25 HydrophobicContact CG-CD2 3.91Å; M1-F25 HydrophobicContact CG-CE2 4.29Å; M1-F25 HydrophobicContact CG-CG 4.07Å; M1-F25 HydrophobicContact SD-CD2 4.48Å
2	K	85.7	Confident	91.6	Very high	128 Å²	128	101.8 Å²	101.8	56%	0.557	51%	0.509	S	S	*	.			trans	-133.5	115.3	171.8	-68.9	-169.9	176.4	-179.4	0	111	G4 N33	K2-G4 VanDerWaalsContact C-N 3.33Å; K2-G4 PolarHBondContact O-N 3.35Å; K2-N33 HydrophobicContact CD-CB 4.25Å
3	K	88.8	Confident	91.9	Very high	109 Å²	109	98 Å²	98	47%	0.474	49%	0.487	S	S	.	.			trans	-65.5	-32.1	178.1	176.5	162.1	-177.9	-171.8	0	113.2	M1 S26 F27 S28	M1-K3 HydrophobicContact CE-CB 3.78Å; K3-S26 VanDerWaalsContact CG-O 3.27Å; K3-S26 WeakPolarHBondContact CG-O 3.32Å; K3-F27 WeakPolarHBondContact O-CD2 3.38Å; K3-F27 WeakPolarHBondContact O-CE2 2.98Å; K3-S28 WeakPolarHBondContact O-CB 2.95Å; K3-S28 PolarHBondContact O-N 3.35Å; K3-S28 PolarHBondContact O-OG 3.14Å
4	G	91.5	Very high	92	Very high	29 Å²	29	94.2 Å²	94.2	30%	0.299	47%	0.465	S	S	.	.			trans	86	178.9	-170.1	0	0	0	0	0	112.1	K2 S28 C30	K2-G4 VanDerWaalsContact C-N 3.33Å; K2-G4 PolarHBondContact O-N 3.35Å; G4-S28 WeakPolarHBondContact CA-OG 3.47Å; G4-S28 PolarHBondContact O-OG 2.86Å; G4-C30 VanDerWaalsContact CA-O 3.3Å; G4-C30 WeakPolarHBondContact CA-O 3.26Å
5	Y	92.8	Very high	92.2	Very high	194 Å²	194	91 Å²	91	76%	0.761	45%	0.446	S	S	*	.	S	Bend	trans	-114.4	2.3	-169.9	55.3	-100.9	0	0	0	115	S28 C30	Y5-S28 PolarHBondContact N-OG 2.87Å; Y5-C30 WeakPolarHBondContact CE2-SG 3.47Å
6	C	95.3	Very high	92.2	Very high	45 Å²	45	87.2 Å²	87.2	30%	0.304	43%	0.428	S	S	.	.	S	Bend	trans	-75.3	-174.7	171.5	-82.2	0	0	0	0	112.4	S28 C30	C6-S28 CarbonylContact C-O 3.56Å; C6-S28 WeakPolarHBondContact CB-O 3.39Å; C6-S28 PolarHBondContact N-OG 3.35Å; C6-S28 WeakPolarHBondContact O-CB 3.28Å; C6-S28 PolarHBondContact O-OG 3.43Å; C6-C30 HydrophobicContact CB-CB 3.92Å; C6-C30 WeakPolarHBondContact CB-SG 3.31Å; C6-C30 PolarHBondContact N-SG 3.47Å; C6-C30 WeakPolarHBondContact SG-CB 3.26Å; C6-C30 CovalentContact SG-SG 2.01Å; C6-C30 PolarHBondContact SG-SG 3.12Å
7	L	93.3	Very high	92	Very high	177 Å²	177	87.1 Å²	87.1	93%	0.927	44%	0.436	S	S	*	.	S	Bend	trans	-115.7	9.6	-173.4	-57.9	178.3	0	0	0	114.8
8	Q	94.4	Very high	92	Very high	100 Å²	100	87.2 Å²	87.2	47%	0.467	45%	0.453	S	S	.	.			trans	-81.5	164.6	178.3	-57.7	175.3	39	0	0	110.9	K10 S28	Q8-K10 HydrophobicContact CB-CG 4.46Å; Q8-S28 WeakPolarHBondContact CA-O 3.42Å; Q8-S28 VanDerWaalsContact CB-O 3.29Å; Q8-S28 WeakPolarHBondContact CB-O 3.47Å; Q8-S28 PolarHBondContact N-O 3.18Å; Q8-S28 VanDerWaalsContact O-CA 3.26Å; Q8-S28 WeakPolarHBondContact O-CA 3.49Å
9	N	93.3	Very high	92	Very high	119 Å²	119	87.8 Å²	87.8	64%	0.636	45%	0.453	S	S	*	.			trans	-121.6	92.2	169.8	-175.1	21.6	0	0	0	109.2	S26	N9-S26 WeakPolarHBondContact OD1-CB 3.35Å; N9-S26 PolarHBondContact OD1-OG 3.31Å
10	K	94.6	Very high	91.9	Very high	81 Å²	81	89.5 Å²	89.5	35%	0.352	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.2	179.5	-69.1	-172.9	169.1	163	0	109.9	Q8 R12 F27	Q8-K10 HydrophobicContact CB-CG 4.46Å; K10-R12 PolarHBondContact O-N 3.35Å; K10-F27 HydrophobicContact CB-CB 4.35Å; K10-F27 HydrophobicContact CB-CD1 4.32Å; K10-F27 WeakPolarHBondContact CB-O 3.26Å; K10-F27 HydrophobicContact CD-CD1 4.49Å; K10-F27 PolarHBondContact N-O 3.31Å; K10-F27 PolarHBondContact O-N 2.8Å
11	P	94.9	Very high	91.9	Very high	109 Å²	109	91.1 Å²	91.1	71%	0.708	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	129	174.8	26.9	-33.2	0	0	0	109.4
12	R	95.1	Very high	92.6	Very high	21 Å²	21	86.7 Å²	86.7	8%	0.079	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	170.7	-179.5	-67.3	-63.3	-177.5	120.6	0.2	109.5	K10 P24 F25 F27 R36 F37 H38	K10-R12 PolarHBondContact O-N 3.35Å; R12-P24 CarbonylContact O-C 3.58Å; R12-P24 WeakPolarHBondContact O-CA 3.34Å; R12-F25 HydrophobicContact CB-CD1 3.87Å; R12-F25 HydrophobicContact CB-CE1 3.45Å; R12-F25 VanDerWaalsContact CB-CE1 3.45Å; R12-F25 HydrophobicContact CB-CZ 3.87Å; R12-F25 PolarHBondContact N-O 3.46Å; R12-F25 PolarHBondContact O-N 3.36Å; R12-F25 VanDerWaalsContact O-O 3.13Å; R12-F27 HydrophobicContact CB-CB 4.28Å; R12-F27 HydrophobicContact CG-CB 3.65Å; R12-F27 HydrophobicContact CG-CG 4.45Å; R12-R36 HydrophobicContact CB-CG 3.91Å; R12-R36 HydrophobicContact CG-CG 3.77Å; R12-F37 CarbonylContact C-O 3.6Å; R12-F37 WeakPolarHBondContact CA-O 3.35Å; R12-F37 VanDerWaalsContact CD-O 3.32Å; R12-F37 WeakPolarHBondContact CD-O 3.49Å; R12-H38 PolarHBondContact NH1-CD2 2.84Å; R12-H38 PolarHBondContact NH1-CE1 2.02Å; R12-H38 PolarHBondContact NH1-NE2 3.24Å; R12-H38 PolarHBondContact NH2-CE1 2.79Å; R12-H38 PolarHBondContact NH2-NE2 2.83Å; R12-H38 VanDerWaalsContact NH2-NE2 3.11Å
13	F	95.2	Very high	93	Very high	52 Å²	52	82.6 Å²	82.6	23%	0.228	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.7	173.7	-60.3	-91.1	0	0	0	109.7	L23 P24 F25 R36 F37 M40 C43	F13-L23 CarbonylContact C-O 3.49Å; F13-L23 VanDerWaalsContact CA-O 3.32Å; F13-L23 WeakPolarHBondContact CA-O 2.94Å; F13-P24 HydrophobicContact CD1-CB 4.33Å; F13-P24 HydrophobicContact CE1-CB 4.19Å; F13-F25 WeakPolarHBondContact O-CE1 3.4Å; F13-R36 CarbonylContact O-C 3.51Å; F13-R36 WeakPolarHBondContact O-CA 3.42Å; F13-F37 HydrophobicContact CB-CB 4.42Å; F13-F37 PolarHBondContact N-O 2.89Å; F13-F37 WeakPolarHBondContact O-CD2 3.44Å; F13-F37 PolarHBondContact O-N 2.77Å; F13-M40 HydrophobicContact CD1-CB 4.27Å; F13-M40 HydrophobicContact CE1-CB 4.12Å; F13-M40 HydrophobicContact CE1-SD 4.5Å; F13-M40 HydrophobicContact CZ-CB 4.3Å; F13-C43 HydrophobicContact CB-CB 4.05Å
14	Y	93.7	Very high	93.3	Very high	45 Å²	45	82 Å²	82	18%	0.176	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.4	169.6	76.9	-80.2	0	0	0	109.1	M1 N16 C22 L23 F25 N35 C43	M1-Y14 HydrophobicContact CB-CD1 4.15Å; M1-Y14 HydrophobicContact CB-CD2 3.77Å; M1-Y14 HydrophobicContact CB-CE1 4.26Å; M1-Y14 HydrophobicContact CB-CE2 3.92Å; M1-Y14 HydrophobicContact CB-CG 3.89Å; M1-Y14 HydrophobicContact CG-CD1 4.1Å; M1-Y14 HydrophobicContact CG-CE1 4.31Å; M1-Y14 HydrophobicContact CG-CG 4.22Å; Y14-N16 HydrophobicContact CE2-CB 3.83Å; Y14-C22 CarbonylContact O-C 3.56Å; Y14-C22 WeakPolarHBondContact O-CA 3.48Å; Y14-L23 HydrophobicContact CD1-CB 4.27Å; Y14-L23 VanDerWaalsContact CD1-O 3.26Å; Y14-L23 WeakPolarHBondContact CD1-O 3.3Å; Y14-L23 HydrophobicContact CE1-CB 3.67Å; Y14-L23 PolarHBondContact N-O 3.41Å; Y14-L23 PolarHBondContact O-N 3.2Å; Y14-F25 HydrophobicContact CD1-CB 3.89Å; Y14-F25 AromaticContact CD1-CD1 3.65Å; Y14-F25 HydrophobicContact CD1-CD1 3.65Å; Y14-F25 HydrophobicContact CD1-CE1 4.43Å; Y14-F25 AromaticContact CD1-CG 3.99Å; Y14-F25 HydrophobicContact CD1-CG 3.99Å; Y14-F25 HydrophobicContact CE1-CB 4.18Å; Y14-F25 HydrophobicContact CG-CD1 4.2Å; Y14-N35 WeakPolarHBondContact CA-OD1 3.46Å; Y14-N35 WeakPolarHBondContact CB-O 3.5Å; Y14-C43 VanDerWaalsContact C-SG 3.59Å
15	Y	93.8	Very high	93.5	Very high	46 Å²	46	81.4 Å²	81.4	18%	0.18	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.6	171.1	-179.5	-121.4	0	0	0	110.9	P17 N20 K21 N35 C47	Y15-P17 HydrophobicContact CD1-CB 4.41Å; Y15-P17 HydrophobicContact CE1-CB 3.95Å; Y15-P17 WeakPolarHBondContact O-CD 3.26Å; Y15-N20 PolarHBondContact OH-OD1 3.06Å; Y15-K21 WeakPolarHBondContact CD2-O 3.48Å; Y15-N35 PolarHBondContact N-OD1 3.29Å; Y15-N35 PolarHBondContact O-ND2 3.26Å; Y15-C47 HydrophobicContact CD2-CB 4.03Å; Y15-C47 WeakPolarHBondContact CD2-SG 3.4Å; Y15-C47 HydrophobicContact CE2-CB 3.72Å; Y15-C47 WeakPolarHBondContact CE2-SG 3.49Å
16	N	93.3	Very high	93.5	Very high	30 Å²	30	74.5 Å²	74.5	16%	0.16	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	106.2	168.9	-170.9	-2.1	0	0	0	110	Y14 A18 E19 N20 K21 L23	Y14-N16 HydrophobicContact CE2-CB 3.83Å; N16-A18 VanDerWaalsContact C-N 3.26Å; N16-A18 PolarHBondContact O-N 3.18Å; N16-A18 WeakPolarHBondContact OD1-CB 3.22Å; N16-A18 PolarHBondContact OD1-N 2.89Å; N16-A18 VanDerWaalsContact OD1-N 3.13Å; N16-E19 HydrophobicContact CB-CB 4.46Å; N16-E19 PolarHBondContact ND2-OE2 3.19Å; N16-E19 PolarHBondContact O-N 3.39Å; N16-N20 WeakPolarHBondContact O-CA 3.38Å; N16-N20 PolarHBondContact O-N 3.27Å; N16-K21 PolarHBondContact N-O 2.9Å; N16-K21 PolarHBondContact O-N 2.88Å; N16-L23 HydrophobicContact CB-CD1 3.83Å; N16-L23 HydrophobicContact CB-CG 4.36Å
17	P	88.8	Confident	93.5	Very high	86 Å²	86	72.7 Å²	72.7	56%	0.558	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.3	179.3	28.3	-35	0	0	0	113.3	Y15 E19	Y15-P17 HydrophobicContact CD1-CB 4.41Å; Y15-P17 HydrophobicContact CE1-CB 3.95Å; Y15-P17 WeakPolarHBondContact O-CD 3.26Å; P17-E19 VanDerWaalsContact C-N 3.31Å; P17-E19 PolarHBondContact O-N 2.93Å
18	A	92.1	Very high	93.5	Very high	89 Å²	89	64.3 Å²	64.3	74%	0.736	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.5	177.6	0	0	0	0	0	112.1	N16	N16-A18 VanDerWaalsContact C-N 3.26Å; N16-A18 PolarHBondContact O-N 3.18Å; N16-A18 WeakPolarHBondContact OD1-CB 3.22Å; N16-A18 PolarHBondContact OD1-N 2.89Å; N16-A18 VanDerWaalsContact OD1-N 3.13Å
19	E	91.6	Very high	93.4	Very high	98 Å²	98	60.6 Å²	60.6	46%	0.458	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-5.1	180	-67.2	179.9	72.9	0	0	112.9	N16 P17 K21 L23	N16-E19 HydrophobicContact CB-CB 4.46Å; N16-E19 PolarHBondContact ND2-OE2 3.19Å; N16-E19 PolarHBondContact O-N 3.39Å; P17-E19 VanDerWaalsContact C-N 3.31Å; P17-E19 PolarHBondContact O-N 2.93Å; E19-K21 HydrophobicContact CB-CB 4.22Å; E19-K21 HydrophobicContact CB-CD 4.44Å; E19-K21 WeakPolarHBondContact O-CG 3.32Å; E19-K21 PolarHBondContact O-N 3.34Å; E19-L23 VanDerWaalsContact OE2-CD1 3.28Å; E19-L23 WeakPolarHBondContact OE2-CD1 3.11Å
20	N	89.3	Confident	93.3	Very high	121 Å²	121	56.4 Å²	56.4	65%	0.647	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	39.8	-168.6	-68.1	-67.8	0	0	0	113.1	Y15 N16	Y15-N20 PolarHBondContact OH-OD1 3.06Å; N16-N20 WeakPolarHBondContact O-CA 3.38Å; N16-N20 PolarHBondContact O-N 3.27Å
21	K	91.6	Very high	93.2	Very high	125 Å²	125	54.2 Å²	54.2	54%	0.543	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.1	-174.1	-76.1	173.6	-172.3	176.9	0	112.5	Y15 N16 E19 L23	Y15-K21 WeakPolarHBondContact CD2-O 3.48Å; N16-K21 PolarHBondContact N-O 2.9Å; N16-K21 PolarHBondContact O-N 2.88Å; E19-K21 HydrophobicContact CB-CB 4.22Å; E19-K21 HydrophobicContact CB-CD 4.44Å; E19-K21 WeakPolarHBondContact O-CG 3.32Å; E19-K21 PolarHBondContact O-N 3.34Å; K21-L23 HydrophobicContact CB-CD2 4.46Å
22	C	94.7	Very high	93	Very high	16 Å²	16	50.7 Å²	50.7	11%	0.108	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.9	169.3	-76.1	0	0	0	0	110.3	Y14 C43 E44	Y14-C22 CarbonylContact O-C 3.56Å; Y14-C22 WeakPolarHBondContact O-CA 3.48Å; C22-C43 HydrophobicContact CB-CB 3.67Å; C22-C43 WeakPolarHBondContact CB-SG 3.01Å; C22-C43 WeakPolarHBondContact SG-CB 3.48Å; C22-C43 CovalentContact SG-SG 2.02Å; C22-C43 PolarHBondContact SG-SG 2.68Å; C22-E44 HydrophobicContact CB-CG 4.27Å; C22-E44 PolarHBondContact SG-N 2.89Å; C22-E44 VanDerWaalsContact SG-N 3.36Å
23	L	95	Very high	92.7	Very high	42 Å²	42	52.6 Å²	52.6	22%	0.22	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.9	-175.6	-61.8	177.7	0	0	0	111	F13 Y14 N16 E19 K21	F13-L23 CarbonylContact C-O 3.49Å; F13-L23 VanDerWaalsContact CA-O 3.32Å; F13-L23 WeakPolarHBondContact CA-O 2.94Å; Y14-L23 HydrophobicContact CD1-CB 4.27Å; Y14-L23 VanDerWaalsContact CD1-O 3.26Å; Y14-L23 WeakPolarHBondContact CD1-O 3.3Å; Y14-L23 HydrophobicContact CE1-CB 3.67Å; Y14-L23 PolarHBondContact N-O 3.41Å; Y14-L23 PolarHBondContact O-N 3.2Å; N16-L23 HydrophobicContact CB-CD1 3.83Å; N16-L23 HydrophobicContact CB-CG 4.36Å; E19-L23 VanDerWaalsContact OE2-CD1 3.28Å; E19-L23 WeakPolarHBondContact OE2-CD1 3.11Å; K21-L23 HydrophobicContact CB-CD2 4.46Å
24	P	95.2	Very high	92.3	Very high	96 Å²	96	56.6 Å²	56.6	62%	0.623	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	148.5	176.9	30	-34.6	0	0	0	111.4	R12 F13	R12-P24 CarbonylContact O-C 3.58Å; R12-P24 WeakPolarHBondContact O-CA 3.34Å; F13-P24 HydrophobicContact CD1-CB 4.33Å; F13-P24 HydrophobicContact CE1-CB 4.19Å
25	F	94.5	Very high	92.2	Very high	18 Å²	18	56.2 Å²	56.2	8%	0.079	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	158.8	170.3	81.7	-77.4	0	0	0	112.5	M1 R12 F13 Y14 F27 R36	M1-F25 HydrophobicContact CE-CB 4.02Å; M1-F25 HydrophobicContact CE-CD2 3.43Å; M1-F25 VanDerWaalsContact CE-CD2 3.43Å; M1-F25 HydrophobicContact CE-CE2 4.2Å; M1-F25 HydrophobicContact CE-CG 4.08Å; M1-F25 HydrophobicContact CG-CB 4.33Å; M1-F25 HydrophobicContact CG-CD2 3.91Å; M1-F25 HydrophobicContact CG-CE2 4.29Å; M1-F25 HydrophobicContact CG-CG 4.07Å; M1-F25 HydrophobicContact SD-CD2 4.48Å; R12-F25 HydrophobicContact CB-CD1 3.87Å; R12-F25 HydrophobicContact CB-CE1 3.45Å; R12-F25 VanDerWaalsContact CB-CE1 3.45Å; R12-F25 HydrophobicContact CB-CZ 3.87Å; R12-F25 PolarHBondContact N-O 3.46Å; R12-F25 PolarHBondContact O-N 3.36Å; R12-F25 VanDerWaalsContact O-O 3.13Å; F13-F25 WeakPolarHBondContact O-CE1 3.4Å; Y14-F25 HydrophobicContact CD1-CB 3.89Å; Y14-F25 AromaticContact CD1-CD1 3.65Å; Y14-F25 HydrophobicContact CD1-CD1 3.65Å; Y14-F25 HydrophobicContact CD1-CE1 4.43Å; Y14-F25 AromaticContact CD1-CG 3.99Å; Y14-F25 HydrophobicContact CD1-CG 3.99Å; Y14-F25 HydrophobicContact CE1-CB 4.18Å; Y14-F25 HydrophobicContact CG-CD1 4.2Å; F25-F27 HydrophobicContact CE2-CB 3.83Å; F25-F27 HydrophobicContact CZ-CB 4.22Å; F25-R36 HydrophobicContact CE1-CB 4.3Å; F25-R36 HydrophobicContact CE1-CG 4.05Å; F25-R36 HydrophobicContact CZ-CB 3.91Å; F25-R36 HydrophobicContact CZ-CG 3.62Å
26	S	94.3	Very high	92.2	Very high	49 Å²	49	56.2 Å²	56.2	34%	0.343	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.5	173.2	-70.2	0	0	0	0	111.3	K3 N9	K3-S26 VanDerWaalsContact CG-O 3.27Å; K3-S26 WeakPolarHBondContact CG-O 3.32Å; N9-S26 WeakPolarHBondContact OD1-CB 3.35Å; N9-S26 PolarHBondContact OD1-OG 3.31Å
27	F	94.8	Very high	92.2	Very high	7 Å²	7	55.9 Å²	55.9	3%	0.031	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.9	171.2	172.8	-125.2	0	0	0	111.2	K3 K10 R12 F25 G29 C30 G31 R36	K3-F27 WeakPolarHBondContact O-CD2 3.38Å; K3-F27 WeakPolarHBondContact O-CE2 2.98Å; K10-F27 HydrophobicContact CB-CB 4.35Å; K10-F27 HydrophobicContact CB-CD1 4.32Å; K10-F27 WeakPolarHBondContact CB-O 3.26Å; K10-F27 HydrophobicContact CD-CD1 4.49Å; K10-F27 PolarHBondContact N-O 3.31Å; K10-F27 PolarHBondContact O-N 2.8Å; R12-F27 HydrophobicContact CB-CB 4.28Å; R12-F27 HydrophobicContact CG-CB 3.65Å; R12-F27 HydrophobicContact CG-CG 4.45Å; F25-F27 HydrophobicContact CE2-CB 3.83Å; F25-F27 HydrophobicContact CZ-CB 4.22Å; F27-G29 VanDerWaalsContact C-N 3.27Å; F27-G29 PolarHBondContact O-N 3.13Å; F27-C30 WeakPolarHBondContact CE2-O 3.29Å; F27-G31 WeakPolarHBondContact CE2-O 3.31Å; F27-R36 VanDerWaalsContact CE2-CZ 3.46Å
28	S	93.7	Very high	92.4	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	33%	0.326	C	S	.	.			trans	-80.9	-1.6	-173.4	74.8	0	0	0	0	116	K3 G4 Y5 C6 Q8	K3-S28 WeakPolarHBondContact O-CB 2.95Å; K3-S28 PolarHBondContact O-N 3.35Å; K3-S28 PolarHBondContact O-OG 3.14Å; G4-S28 WeakPolarHBondContact CA-OG 3.47Å; G4-S28 PolarHBondContact O-OG 2.86Å; Y5-S28 PolarHBondContact N-OG 2.87Å; C6-S28 CarbonylContact C-O 3.56Å; C6-S28 WeakPolarHBondContact CB-O 3.39Å; C6-S28 PolarHBondContact N-OG 3.35Å; C6-S28 WeakPolarHBondContact O-CB 3.28Å; C6-S28 PolarHBondContact O-OG 3.43Å; Q8-S28 WeakPolarHBondContact CA-O 3.42Å; Q8-S28 VanDerWaalsContact CB-O 3.29Å; Q8-S28 WeakPolarHBondContact CB-O 3.47Å; Q8-S28 PolarHBondContact N-O 3.18Å; Q8-S28 VanDerWaalsContact O-CA 3.26Å; Q8-S28 WeakPolarHBondContact O-CA 3.49Å
29	G	91.5	Very high	92.5	Very high	21 Å²	21	55.2 Å²	55.2	22%	0.216	31%	0.308	C	S	.	.	S	Bend	trans	101.1	-20.1	175.2	0	0	0	0	0	114.6	F27	F27-G29 VanDerWaalsContact C-N 3.27Å; F27-G29 PolarHBondContact O-N 3.13Å
30	C	91.6	Very high	92.6	Very high	32 Å²	32	55.2 Å²	55.2	22%	0.216	31%	0.31	C	S	.	.	S	Bend	trans	-144.6	163.3	172.7	75.4	0	0	0	0	112.7	G4 Y5 C6 F27	G4-C30 VanDerWaalsContact CA-O 3.3Å; G4-C30 WeakPolarHBondContact CA-O 3.26Å; Y5-C30 WeakPolarHBondContact CE2-SG 3.47Å; C6-C30 HydrophobicContact CB-CB 3.92Å; C6-C30 WeakPolarHBondContact CB-SG 3.31Å; C6-C30 PolarHBondContact N-SG 3.47Å; C6-C30 WeakPolarHBondContact SG-CB 3.26Å; C6-C30 CovalentContact SG-SG 2.01Å; C6-C30 PolarHBondContact SG-SG 3.12Å; F27-C30 WeakPolarHBondContact CE2-O 3.29Å
31	G	92.9	Very high	92.7	Very high	34 Å²	34	56.7 Å²	56.7	35%	0.351	31%	0.313	S	S	.	.			trans	66	-146.5	-177.6	0	0	0	0	0	113.1	F27 R36	F27-G31 WeakPolarHBondContact CE2-O 3.31Å; G31-R36 PolarHBondContact O-NH1 2.73Å
32	G	89.3	Confident	92.7	Very high	36 Å²	36	56.6 Å²	56.6	37%	0.371	31%	0.312	S	S	.	.			trans	76.9	-160.6	-176	0	0	0	0	0	112.9
33	N	88.7	Confident	92.7	Very high	61 Å²	61	55.8 Å²	55.8	33%	0.326	31%	0.307	S	S	.	.			trans	-121.2	177.8	175.9	66.1	-16.5	0	0	0	111.6	K2 N35	K2-N33 HydrophobicContact CD-CB 4.25Å; N33-N35 VanDerWaalsContact C-N 3.27Å; N33-N35 PolarHBondContact O-N 3.39Å
34	E	88.4	Confident	92.5	Very high	135 Å²	135	57.3 Å²	57.3	63%	0.631	31%	0.313	S	S	*	.	S	Bend	trans	-72.5	-15.6	-175.8	-61.4	-174.9	91.7	0	0	114.4	R36 T61	E34-R36 PolarHBondContact O-N 3.27Å; E34-T61 HydrophobicContact CB-CG2 4.07Å; E34-T61 HydrophobicContact CG-CG2 3.65Å; E34-T61 WeakPolarHBondContact OE1-CB 2.97Å; E34-T61 WeakPolarHBondContact OE1-CG2 3.45Å; E34-T61 PolarHBondContact OE1-OG1 3.15Å
35	N	91.7	Very high	92.2	Very high	37 Å²	37	55 Å²	55	20%	0.198	30%	0.299	C	S	.	.			trans	-74.3	67.3	175.8	-171.7	2.5	0	0	0	110.7	Y14 Y15 N33 F37	Y14-N35 WeakPolarHBondContact CA-OD1 3.46Å; Y14-N35 WeakPolarHBondContact CB-O 3.5Å; Y15-N35 PolarHBondContact N-OD1 3.29Å; Y15-N35 PolarHBondContact O-ND2 3.26Å; N33-N35 VanDerWaalsContact C-N 3.27Å; N33-N35 PolarHBondContact O-N 3.39Å; N35-F37 WeakPolarHBondContact OD1-CE2 3.27Å
36	R	92.4	Very high	91.7	Very high	46 Å²	46	58.6 Å²	58.6	17%	0.174	32%	0.315	C	S	.	.			trans	-153.6	108.2	-173.9	179.8	172.9	68	-133	7.3	110.9	R12 F13 F25 F27 G31 E34	R12-R36 HydrophobicContact CB-CG 3.91Å; R12-R36 HydrophobicContact CG-CG 3.77Å; F13-R36 CarbonylContact O-C 3.51Å; F13-R36 WeakPolarHBondContact O-CA 3.42Å; F25-R36 HydrophobicContact CE1-CB 4.3Å; F25-R36 HydrophobicContact CE1-CG 4.05Å; F25-R36 HydrophobicContact CZ-CB 3.91Å; F25-R36 HydrophobicContact CZ-CG 3.62Å; F27-R36 VanDerWaalsContact CE2-CZ 3.46Å; G31-R36 PolarHBondContact O-NH1 2.73Å; E34-R36 PolarHBondContact O-N 3.27Å
37	F	94.8	Very high	90.7	Very high	23 Å²	23	57 Å²	57	10%	0.101	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-114.2	150.6	-177.1	-51.9	-83.8	0	0	0	111.2	R12 F13 N35 K42 C43 F46	R12-F37 CarbonylContact C-O 3.6Å; R12-F37 WeakPolarHBondContact CA-O 3.35Å; R12-F37 VanDerWaalsContact CD-O 3.32Å; R12-F37 WeakPolarHBondContact CD-O 3.49Å; F13-F37 HydrophobicContact CB-CB 4.42Å; F13-F37 PolarHBondContact N-O 2.89Å; F13-F37 WeakPolarHBondContact O-CD2 3.44Å; F13-F37 PolarHBondContact O-N 2.77Å; N35-F37 WeakPolarHBondContact OD1-CE2 3.27Å; F37-K42 HydrophobicContact CB-CB 4.3Å; F37-K42 HydrophobicContact CD1-CB 4.28Å; F37-C43 HydrophobicContact CB-CB 3.81Å; F37-C43 HydrophobicContact CD2-CB 3.4Å; F37-C43 VanDerWaalsContact CD2-SG 3.51Å; F37-C43 HydrophobicContact CE2-CB 4.1Å; F37-C43 HydrophobicContact CG-CB 3.66Å; F37-F46 HydrophobicContact CE1-CB 3.75Å; F37-F46 AromaticContact CE1-CD2 3.93Å; F37-F46 HydrophobicContact CE1-CD2 3.93Å; F37-F46 AromaticContact CE1-CG 3.82Å; F37-F46 HydrophobicContact CE1-CG 3.82Å; F37-F46 HydrophobicContact CZ-CB 3.66Å; F37-F46 AromaticContact CZ-CD1 3.74Å; F37-F46 HydrophobicContact CZ-CD1 3.74Å; F37-F46 AromaticContact CZ-CD2 3.94Å; F37-F46 HydrophobicContact CZ-CD2 3.94Å; F37-F46 HydrophobicContact CZ-CE1 4.37Å; F37-F46 AromaticContact CZ-CG 3.5Å; F37-F46 HydrophobicContact CZ-CG 3.5Å
38	H	93	Very high	89.6	Confident	103 Å²	103	63.4 Å²	63.4	48%	0.477	33%	0.331	S	S	.	.	S	Bend	trans	-79.8	-29	177	-82.1	-87.1	0	0	0	113.2	R12	R12-H38 PolarHBondContact NH1-CD2 2.84Å; R12-H38 PolarHBondContact NH1-CE1 2.02Å; R12-H38 PolarHBondContact NH1-NE2 3.24Å; R12-H38 PolarHBondContact NH2-CE1 2.79Å; R12-H38 PolarHBondContact NH2-NE2 2.83Å; R12-H38 VanDerWaalsContact NH2-NE2 3.11Å
39	T	94	Very high	88.1	Confident	58 Å²	58	69.3 Å²	69.3	36%	0.356	36%	0.357	S	S	.	.	S	Bend	trans	-132.1	151.5	-175.6	59.7	0	0	0	0	109.3	E41 K42 C43	T39-E41 VanDerWaalsContact C-N 3.33Å; T39-K42 PolarHBondContact O-N 3.11Å; T39-K42 WeakPolarHBondContact OG1-CB 3.49Å; T39-K42 VanDerWaalsContact OG1-CG 3.31Å; T39-K42 WeakPolarHBondContact OG1-CG 3.45Å; T39-K42 PolarHBondContact OG1-N 2.98Å; T39-C43 PolarHBondContact O-N 3.27Å
40	M	92.6	Very high	86.5	Confident	99 Å²	99	73.4 Å²	73.4	49%	0.488	38%	0.378	S	S	.	.	H	α-helix	trans	-60.6	-44.3	177.2	-170.2	158.2	76.5	0	0	110.9	F13 K42 C43 E44	F13-M40 HydrophobicContact CD1-CB 4.27Å; F13-M40 HydrophobicContact CE1-CB 4.12Å; F13-M40 HydrophobicContact CE1-SD 4.5Å; F13-M40 HydrophobicContact CZ-CB 4.3Å; M40-K42 VanDerWaalsContact C-N 3.34Å; M40-K42 PolarHBondContact O-N 2.83Å; M40-C43 CarbonylContact O-C 3.59Å; M40-C43 WeakPolarHBondContact O-CA 3.43Å; M40-C43 WeakPolarHBondContact O-CB 3.46Å; M40-C43 PolarHBondContact O-N 2.72Å; M40-E44 HydrophobicContact CG-CG 4.38Å; M40-E44 WeakPolarHBondContact O-CG 3.14Å; M40-E44 PolarHBondContact O-N 3.18Å
41	E	92.1	Very high	85	Confident	152 Å²	152	78.7 Å²	78.7	71%	0.71	40%	0.403	S	S	*	.	H	α-helix	trans	-54.9	-43.9	175.7	-173.2	-168.3	173.1	0	0	112.9	T39 C43 E44 S45	T39-E41 VanDerWaalsContact C-N 3.33Å; E41-C43 VanDerWaalsContact C-N 3.33Å; E41-C43 PolarHBondContact O-N 2.73Å; E41-E44 PolarHBondContact O-N 3.05Å; E41-S45 VanDerWaalsContact O-CB 3.22Å; E41-S45 WeakPolarHBondContact O-CB 3.32Å; E41-S45 PolarHBondContact O-N 2.71Å; E41-S45 PolarHBondContact O-OG 2.88Å
42	K	92	Very high	83.3	Confident	122 Å²	122	82.2 Å²	82.2	53%	0.53	42%	0.417	S	S	.	.	H	α-helix	trans	-64.8	-40.9	177.4	-79.5	-178.3	-177.9	-178.6	0	111.5	F37 T39 M40 S45 F46	F37-K42 HydrophobicContact CB-CB 4.3Å; F37-K42 HydrophobicContact CD1-CB 4.28Å; T39-K42 PolarHBondContact O-N 3.11Å; T39-K42 WeakPolarHBondContact OG1-CB 3.49Å; T39-K42 VanDerWaalsContact OG1-CG 3.31Å; T39-K42 WeakPolarHBondContact OG1-CG 3.45Å; T39-K42 PolarHBondContact OG1-N 2.98Å; M40-K42 VanDerWaalsContact C-N 3.34Å; M40-K42 PolarHBondContact O-N 2.83Å; K42-S45 WeakPolarHBondContact CA-OG 3.3Å; K42-S45 PolarHBondContact O-OG 3.29Å; K42-F46 PolarHBondContact O-N 2.92Å; K42-F46 VanDerWaalsContact O-N 3.14Å
43	C	93.7	Very high	81.5	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-61.7	-51	174.6	-176.6	0	0	0	0	111	F13 Y14 C22 F37 T39 M40 E41 S45 F46 C47	F13-C43 HydrophobicContact CB-CB 4.05Å; Y14-C43 VanDerWaalsContact C-SG 3.59Å; C22-C43 HydrophobicContact CB-CB 3.67Å; C22-C43 WeakPolarHBondContact CB-SG 3.01Å; C22-C43 WeakPolarHBondContact SG-CB 3.48Å; C22-C43 CovalentContact SG-SG 2.02Å; C22-C43 PolarHBondContact SG-SG 2.68Å; F37-C43 HydrophobicContact CB-CB 3.81Å; F37-C43 HydrophobicContact CD2-CB 3.4Å; F37-C43 VanDerWaalsContact CD2-SG 3.51Å; F37-C43 HydrophobicContact CE2-CB 4.1Å; F37-C43 HydrophobicContact CG-CB 3.66Å; T39-C43 PolarHBondContact O-N 3.27Å; M40-C43 CarbonylContact O-C 3.59Å; M40-C43 WeakPolarHBondContact O-CA 3.43Å; M40-C43 WeakPolarHBondContact O-CB 3.46Å; M40-C43 PolarHBondContact O-N 2.72Å; E41-C43 VanDerWaalsContact C-N 3.33Å; E41-C43 PolarHBondContact O-N 2.73Å; C43-S45 PolarHBondContact O-N 3.11Å; C43-F46 VanDerWaalsContact O-CB 3.3Å; C43-F46 WeakPolarHBondContact O-CB 2.96Å; C43-F46 PolarHBondContact O-N 3.24Å; C43-C47 PolarHBondContact O-N 2.96Å; C43-C47 PolarHBondContact O-SG 2.97Å
44	E	91.2	Very high	79.6	Confident	74 Å²	74	87.2 Å²	87.2	35%	0.346	46%	0.456	S	S	.	.	H	α-helix	trans	-64.9	-38.8	-179.1	-69.2	-176.2	179.2	0	0	112.7	C22 M40 E41 F46 C47 K48	C22-E44 HydrophobicContact CB-CG 4.27Å; C22-E44 PolarHBondContact SG-N 2.89Å; C22-E44 VanDerWaalsContact SG-N 3.36Å; M40-E44 HydrophobicContact CG-CG 4.38Å; M40-E44 WeakPolarHBondContact O-CG 3.14Å; M40-E44 PolarHBondContact O-N 3.18Å; E41-E44 PolarHBondContact O-N 3.05Å; E44-F46 VanDerWaalsContact C-N 3.25Å; E44-F46 PolarHBondContact O-N 2.85Å; E44-C47 PolarHBondContact O-N 2.77Å; E44-C47 VanDerWaalsContact O-N 3.12Å; E44-K48 WeakPolarHBondContact O-CG 3.48Å; E44-K48 PolarHBondContact O-N 3.13Å; E44-K48 IonicContact OE2-NZ 3.68Å
45	S	88.3	Confident	78.1	Confident	48 Å²	48	88.8 Å²	88.8	34%	0.336	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-32.8	176.9	72.9	0	0	0	0	112.1	E41 K42 C43 C47 K49	E41-S45 VanDerWaalsContact O-CB 3.22Å; E41-S45 WeakPolarHBondContact O-CB 3.32Å; E41-S45 PolarHBondContact O-N 2.71Å; E41-S45 PolarHBondContact O-OG 2.88Å; K42-S45 WeakPolarHBondContact CA-OG 3.3Å; K42-S45 PolarHBondContact O-OG 3.29Å; C43-S45 PolarHBondContact O-N 3.11Å; S45-C47 VanDerWaalsContact C-N 3.28Å; S45-C47 PolarHBondContact O-N 2.77Å; S45-K49 WeakPolarHBondContact O-CB 3.08Å; S45-K49 VanDerWaalsContact O-CG 3.26Å; S45-K49 WeakPolarHBondContact O-CG 3.17Å; S45-K49 PolarHBondContact O-N 2.97Å
46	F	83.8	Confident	76.1	Confident	92 Å²	92	94.9 Å²	94.9	40%	0.404	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-38.8	174.1	-174.1	-94.1	0	0	0	111	F37 K42 C43 E44 P59	F37-F46 HydrophobicContact CE1-CB 3.75Å; F37-F46 AromaticContact CE1-CD2 3.93Å; F37-F46 HydrophobicContact CE1-CD2 3.93Å; F37-F46 AromaticContact CE1-CG 3.82Å; F37-F46 HydrophobicContact CE1-CG 3.82Å; F37-F46 HydrophobicContact CZ-CB 3.66Å; F37-F46 AromaticContact CZ-CD1 3.74Å; F37-F46 HydrophobicContact CZ-CD1 3.74Å; F37-F46 AromaticContact CZ-CD2 3.94Å; F37-F46 HydrophobicContact CZ-CD2 3.94Å; F37-F46 HydrophobicContact CZ-CE1 4.37Å; F37-F46 AromaticContact CZ-CG 3.5Å; F37-F46 HydrophobicContact CZ-CG 3.5Å; K42-F46 PolarHBondContact O-N 2.92Å; K42-F46 VanDerWaalsContact O-N 3.14Å; C43-F46 VanDerWaalsContact O-CB 3.3Å; C43-F46 WeakPolarHBondContact O-CB 2.96Å; C43-F46 PolarHBondContact O-N 3.24Å; E44-F46 VanDerWaalsContact C-N 3.25Å; E44-F46 PolarHBondContact O-N 2.85Å; F46-P59 HydrophobicContact CD2-CG 3.64Å; F46-P59 HydrophobicContact CE2-CG 4.01Å
47	C	75.2	Confident	74.2	Confident	16 Å²	16	101.1 Å²	101.1	11%	0.108	53%	0.525	C	S	.	.	H	α-helix	trans	-80.8	-37.4	-177.5	-52	0	0	0	0	112.8	Y15 C43 E44 S45 K49 T50	Y15-C47 HydrophobicContact CD2-CB 4.03Å; Y15-C47 WeakPolarHBondContact CD2-SG 3.4Å; Y15-C47 HydrophobicContact CE2-CB 3.72Å; Y15-C47 WeakPolarHBondContact CE2-SG 3.49Å; C43-C47 PolarHBondContact O-N 2.96Å; C43-C47 PolarHBondContact O-SG 2.97Å; E44-C47 PolarHBondContact O-N 2.77Å; E44-C47 VanDerWaalsContact O-N 3.12Å; S45-C47 VanDerWaalsContact C-N 3.28Å; S45-C47 PolarHBondContact O-N 2.77Å; C47-K49 VanDerWaalsContact C-N 3.28Å; C47-K49 PolarHBondContact O-N 2.78Å; C47-T50 PolarHBondContact O-N 2.84Å; C47-T50 PolarHBondContact O-OG1 2.92Å
48	K	70.6	Confident	72	Confident	141 Å²	141	107.4 Å²	107.4	61%	0.613	55%	0.552	S	S	*	*	H	α-helix	trans	-66.1	-33.5	177.4	-71.7	174.7	-176.8	171.9	0	111.7	E44 T50 I51	E44-K48 WeakPolarHBondContact O-CG 3.48Å; E44-K48 PolarHBondContact O-N 3.13Å; E44-K48 IonicContact OE2-NZ 3.68Å; K48-T50 PolarHBondContact O-N 3.36Å; K48-I51 PolarHBondContact O-N 3.33Å
49	K	62.6	Low	70	Confident	125 Å²	125	105.6 Å²	105.6	54%	0.543	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.6	179.1	-76.2	-177.6	-179.3	-159.7	0	114.5	S45 C47 I51	S45-K49 WeakPolarHBondContact O-CB 3.08Å; S45-K49 VanDerWaalsContact O-CG 3.26Å; S45-K49 WeakPolarHBondContact O-CG 3.17Å; S45-K49 PolarHBondContact O-N 2.97Å; C47-K49 VanDerWaalsContact C-N 3.28Å; C47-K49 PolarHBondContact O-N 2.78Å; K49-I51 VanDerWaalsContact C-N 3.31Å
50	T	58	Low	67.8	Low	107 Å²	107	107.7 Å²	107.7	66%	0.656	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-9.1	176.5	58.1	0	0	0	0	113.5	C47 K48	C47-T50 PolarHBondContact O-N 2.84Å; C47-T50 PolarHBondContact O-OG1 2.92Å; K48-T50 PolarHBondContact O-N 3.36Å
51	I	60.5	Low	65.5	Low	144 Å²	144	105.6 Å²	105.6	74%	0.738	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-23.3	-176.3	-60.9	-78.1	0	0	0	112.9	K48 K49	K48-I51 PolarHBondContact O-N 3.33Å; K49-I51 VanDerWaalsContact C-N 3.31Å
52	V	57.5	Low	63.3	Low	108 Å²	108	101.1 Å²	101.1	66%	0.655	54%	0.542	S	S	*	.	S	Bend	trans	-127.2	104.4	-178.1	-174.8	0	0	0	0	109.2	T54	V52-T54 PolarHBondContact O-N 3.49Å
53	G	50.6	Low	61	Low	67 Å²	67	98.1 Å²	98.1	69%	0.691	54%	0.535	S	S	*	.			trans	-60.5	120.7	178.2	0	0	0	0	0	111.5
54	T	49.6	Very low	58.8	Low	134 Å²	134	103.4 Å²	103.4	82%	0.822	58%	0.579	S	S	*	*			trans	167.6	140	137	35.4	0	0	0	0	109.5	V52	V52-T54 PolarHBondContact O-N 3.49Å
55	E	55.2	Low	56.4	Low	168 Å²	168	102.9 Å²	102.9	79%	0.785	59%	0.594	S	S	*	*			trans	84	80.6	167.9	-55.8	-126.8	108.2	0	0	119.7	K57	E55-K57 PolarHBondContact O-N 3.26Å
56	N	51	Low	54.4	Low	166 Å²	166	108 Å²	108	89%	0.888	61%	0.612	S	S	*	*				4	73.3	121.2	-67.1	-56.1	0	0	0	118
57	K	52.3	Low	52.5	Low	177 Å²	177	114.2 Å²	114.2	77%	0.77	63%	0.633	S	S	*	*			trans	-135.5	105.8	136.9	-78.2	-156.3	-176.1	-164.4	0	107.9	E55 P59	E55-K57 PolarHBondContact O-N 3.26Å; K57-P59 VanDerWaalsContact O-CD 3.26Å; K57-P59 WeakPolarHBondContact O-CD 3.41Å
58	K	47.9	Very low	51.1	Low	154 Å²	154	119.1 Å²	119.1	67%	0.67	66%	0.663	S	S	*	*			trans	-41.9	111.4	165.3	-178.2	174.8	-170.1	-74.3	0	107.1	S60	K58-S60 PolarHBondContact O-N 3.23Å
59	P	51.6	Low	50	Low	66 Å²	66	119.2 Å²	119.2	43%	0.429	67%	0.67	S	S	.	*			trans	-65.2	113.2	170.9	23.3	-22.9	0	0	0	104	F46 K57 T61	F46-P59 HydrophobicContact CD2-CG 3.64Å; F46-P59 HydrophobicContact CE2-CG 4.01Å; K57-P59 VanDerWaalsContact O-CD 3.26Å; K57-P59 WeakPolarHBondContact O-CD 3.41Å; P59-T61 VanDerWaalsContact C-N 3.27Å; P59-T61 PolarHBondContact O-N 3.18Å
60	S	47.9	Very low	49.6	Very low	101 Å²	101	121 Å²	121	71%	0.706	68%	0.68	S	S	*	*			trans	-51.3	95.7	-177.7	-66	0	0	0	0	109.2	K58 T62	K58-S60 PolarHBondContact O-N 3.23Å; S60-T62 PolarHBondContact O-N 2.81Å
61	T	44.4	Very low	49.7	Very low	55 Å²	55	120.4 Å²	120.4	34%	0.337	68%	0.678	S	S	.	*			trans	-38.4	112.3	148.2	-45.7	0	0	0	0	104.4	E34 P59 P63	E34-T61 HydrophobicContact CB-CG2 4.07Å; E34-T61 HydrophobicContact CG-CG2 3.65Å; E34-T61 WeakPolarHBondContact OE1-CB 2.97Å; E34-T61 WeakPolarHBondContact OE1-CG2 3.45Å; E34-T61 PolarHBondContact OE1-OG1 3.15Å; P59-T61 VanDerWaalsContact C-N 3.27Å; P59-T61 PolarHBondContact O-N 3.18Å; T61-P63 VanDerWaalsContact O-N 3.09Å
62	T	46.1	Very low	49.3	Very low	58 Å²	58	119.8 Å²	119.8	36%	0.356	68%	0.681	S	S	.	*			trans	-24.5	116.9	175.5	-51.3	0	0	0	0	109.3	S60 A64	S60-T62 PolarHBondContact O-N 2.81Å; T62-A64 PolarHBondContact O-N 3.08Å; T62-A64 VanDerWaalsContact O-N 3.08Å
63	P	42.7	Very low	49.4	Very low	60 Å²	60	119 Å²	119	39%	0.39	68%	0.677	S	S	.	*			trans	-55.6	126.6	171	-17.9	31	0	0	0	105.5	T61 G65 Q66	T61-P63 VanDerWaalsContact O-N 3.09Å; P63-G65 PolarHBondContact O-N 2.83Å; P63-Q66 HydrophobicContact CB-CG 4.2Å; P63-Q66 HydrophobicContact CG-CG 3.78Å
64	A	47.2	Very low	49.9	Very low	110 Å²	110	126.5 Å²	126.5	91%	0.909	68%	0.684	S	S	*	*	S	Bend	trans	-51.7	103.1	153.5	0	0	0	0	0	105.9	T62	T62-A64 PolarHBondContact O-N 3.08Å; T62-A64 VanDerWaalsContact O-N 3.08Å
65	G	42.2	Very low	50.3	Low	64 Å²	64	124.8 Å²	124.8	66%	0.66	67%	0.669	S	S	*	*			trans	77.4	82.6	-178.8	0	0	0	0	0	116	P63 R67	P63-G65 PolarHBondContact O-N 2.83Å; G65-R67 PolarHBondContact O-N 2.9Å; G65-R67 VanDerWaalsContact O-N 3.15Å
66	Q	45.5	Very low	50.6	Low	156 Å²	156	122.5 Å²	122.5	73%	0.729	66%	0.661	S	S	*	*			trans	-77	82.7	140	-71.7	-179.8	-91.2	0	0	106.7	P63 T68	P63-Q66 HydrophobicContact CB-CG 4.2Å; P63-Q66 HydrophobicContact CG-CG 3.78Å; Q66-T68 PolarHBondContact O-N 3.22Å
67	R	43.5	Very low	51	Low	221 Å²	221	123.7 Å²	123.7	83%	0.834	65%	0.654	S	S	*	*			trans	-59.2	115.9	141.7	-69.7	-170.8	-167.3	-164.6	3.8	103.7	G65 N69	G65-R67 PolarHBondContact O-N 2.9Å; G65-R67 VanDerWaalsContact O-N 3.15Å; R67-N69 VanDerWaalsContact C-N 3.31Å; R67-N69 PolarHBondContact O-N 3.17Å
68	T	46.7	Very low	51.2	Low	120 Å²	120	122.2 Å²	122.2	74%	0.736	65%	0.654	S	S	*	*			trans	-55.2	108.3	159.9	44	0	0	0	0	105.2	Q66 E70	Q66-T68 PolarHBondContact O-N 3.22Å; T68-E70 PolarHBondContact O-N 2.99Å
69	N	47.9	Very low	51.8	Low	142 Å²	142	120 Å²	120	76%	0.759	65%	0.653	S	S	*	*			trans	-67.3	81.1	155.3	-69.3	-57.2	0	0	0	104.6	R67	R67-N69 VanDerWaalsContact C-N 3.31Å; R67-N69 PolarHBondContact O-N 3.17Å
70	E	53.1	Low	52	Low	162 Å²	162	126.1 Å²	126.1	76%	0.757	67%	0.673	S	S	*	*			trans	-52.4	141	154	-127	-160.1	86	0	0	106.7	T68 T72	T68-E70 PolarHBondContact O-N 2.99Å; E70-T72 PolarHBondContact O-N 3.05Å; E70-T72 VanDerWaalsContact O-N 3.11Å
71	P	60.1	Low	52.4	Low	95 Å²	95	127 Å²	127	62%	0.617	68%	0.679	S	S	*	*			trans	-56	121.9	-150.9	24.3	-31.9	0	0	0	110.2	T73	P71-T73 PolarHBondContact O-N 3.47Å
72	T	51.9	Low	53.1	Low	131 Å²	131	129.6 Å²	129.6	80%	0.804	70%	0.7	S	S	*	*			trans	-64.9	65.6	159.2	27.2	0	0	0	0	108.4	E70 R74	E70-T72 PolarHBondContact O-N 3.05Å; E70-T72 VanDerWaalsContact O-N 3.11Å; T72-R74 PolarHBondContact O-N 2.85Å
73	T	60.7	Low	54	Low	93 Å²	93	138.4 Å²	138.4	57%	0.571	73%	0.726	S	S	*	*			trans	-66.2	106.2	162.9	-51.6	0	0	0	0	105.1	P71 I75	P71-T73 PolarHBondContact O-N 3.47Å; T73-I75 HydrophobicContact CG2-CD1 4.05Å; T73-I75 HydrophobicContact CG2-CG1 3.44Å; T73-I75 VanDerWaalsContact CG2-CG1 3.44Å; T73-I75 PolarHBondContact O-N 2.84Å
74	R	59.8	Low	55.3	Low	224 Å²	224	147.1 Å²	147.1	85%	0.845	75%	0.752	S	S	*	*			trans	-55.5	83.7	159.3	-89.7	-177.1	169.1	-176.3	-2.2	107.7	T72 I76	T72-R74 PolarHBondContact O-N 2.85Å; R74-I76 VanDerWaalsContact C-N 3.27Å; R74-I76 PolarHBondContact O-N 3.38Å
75	I	58.6	Low	56	Low	97 Å²	97	155.5 Å²	155.5	50%	0.497	77%	0.767	S	S	.	*			trans	-88.7	84.2	163.8	-65.7	-161.1	0	0	0	106	T73 Y77	T73-I75 HydrophobicContact CG2-CD1 4.05Å; T73-I75 HydrophobicContact CG2-CG1 3.44Å; T73-I75 VanDerWaalsContact CG2-CG1 3.44Å; T73-I75 PolarHBondContact O-N 2.84Å; I75-Y77 HydrophobicContact CB-CD2 4.38Å; I75-Y77 HydrophobicContact CB-CE2 4.31Å; I75-Y77 HydrophobicContact CD1-CE2 4.03Å; I75-Y77 HydrophobicContact CG2-CD1 4.15Å; I75-Y77 HydrophobicContact CG2-CD2 2.89Å; I75-Y77 HydrophobicContact CG2-CE1 4.19Å; I75-Y77 HydrophobicContact CG2-CE2 2.95Å; I75-Y77 HydrophobicContact CG2-CG 3.5Å; I75-Y77 PolarHBondContact O-N 3.47Å
76	I	62.5	Low	56.7	Low	121 Å²	121	160.1 Å²	160.1	62%	0.621	77%	0.773	S	S	*	*			trans	-75.8	84.2	158.5	-59	171.7	0	0	0	105.1	R74 I78	R74-I76 VanDerWaalsContact C-N 3.27Å; R74-I76 PolarHBondContact O-N 3.38Å; I76-I78 VanDerWaalsContact C-N 3.3Å; I76-I78 HydrophobicContact CG2-CG1 4.31Å; I76-I78 HydrophobicContact CG2-CG2 4.36Å; I76-I78 PolarHBondContact O-N 2.01Å
77	Y	58.8	Low	57.3	Low	190 Å²	190	160.3 Å²	160.3	75%	0.745	78%	0.775	S	S	*	*			trans	-82.6	85	163.9	-78.3	-50.6	0	0	0	108.6	I75 T79	I75-Y77 HydrophobicContact CB-CD2 4.38Å; I75-Y77 HydrophobicContact CB-CE2 4.31Å; I75-Y77 HydrophobicContact CD1-CE2 4.03Å; I75-Y77 HydrophobicContact CG2-CD1 4.15Å; I75-Y77 HydrophobicContact CG2-CD2 2.89Å; I75-Y77 HydrophobicContact CG2-CE1 4.19Å; I75-Y77 HydrophobicContact CG2-CE2 2.95Å; I75-Y77 HydrophobicContact CG2-CG 3.5Å; I75-Y77 PolarHBondContact O-N 3.47Å; Y77-T79 PolarHBondContact O-N 3.48Å
78	I	56.2	Low	58	Low	147 Å²	147	156.9 Å²	156.9	75%	0.754	77%	0.772	S	S	*	*			trans	-65.3	101.5	155.6	27.9	171.3	0	0	0	108.3	I76	I76-I78 VanDerWaalsContact C-N 3.3Å; I76-I78 HydrophobicContact CG2-CG1 4.31Å; I76-I78 HydrophobicContact CG2-CG2 4.36Å; I76-I78 PolarHBondContact O-N 2.01Å
79	T	59.9	Low	58.7	Low	108 Å²	108	159.1 Å²	159.1	66%	0.663	77%	0.774	S	S	*	*			trans	-147.4	112.1	159.6	54.3	0	0	0	0	112.6	Y77	Y77-T79 PolarHBondContact O-N 3.48Å
80	K	56.1	Low	59.4	Low	193 Å²	193	160.2 Å²	160.2	84%	0.839	78%	0.775	S	S	*	*			trans	80.4	97.7	146.2	-56.7	179.2	-176.1	-174.6	0	116.2
81	S	57	Low	59.8	Low	120 Å²	120	160.1 Å²	160.1	84%	0.839	78%	0.776	S	S	*	*				53.1	96	89.1	-75.1	0	0	0	0	113.8
82	S	58.3	Low	59.8	Low	110 Å²	110	164.7 Å²	164.7	77%	0.769	79%	0.787	S	S	*	*				166	124.2	116.4	-95.1	0	0	0	0	113
83	R	65.1	Low	60.4	Low	242 Å²	242	167.3 Å²	167.3	91%	0.913	79%	0.786	S	S	*	*			trans	69.3	109.4	143.2	-72.7	-178.7	-176.9	179.4	0.8	120
84	R	70	Confident	60.3	Low	244 Å²	244	173.5 Å²	173.5	92%	0.921	80%	0.804	S	S	*	*			trans	-39.8	139.6	141.9	-64.5	177.2	-177.7	174.6	-0.7	111.9
85	K	61.9	Low	60.4	Low	286 Å²	286	168.9 Å²	168.9	100%	1.243	80%	0.8	S	S	*	*				-113.7	0	129.3	-93.2	-172	177.1	-174.6	0	107.1

Retrieved 85 of 85 residues in 23.3 ms (Link to these results)

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