A0A3Q0KNE2_SCHMA Loading...

Hypotheticial protein

AlphaFold DB , UniProt , Accession A0A3Q0KNE2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 aa.

						>A0A3Q0KNE2_SCHMA|A0A3Q0KNE2
MFHHYVLVLICFIAFTSVQHIDATDDNFASSKEQSTKFAPIRRHMMKRNYLWDTRLGKRSMNREAFPWYNHDLYNYYNDDNFRGYYTGYDD
					

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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	59.2	Low	77.7	Confident	207 Å²	207	130.6 Å²	130.6	100%	1.02	65%	0.647	S	S	*	*				0	-45.8	0	-73.8	-176.4	156.5	0	0	113.1	H3 H4 Y5	M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.34Å; M1-H4 PolarHBondContact O-N 3.25Å; M1-Y5 WeakPolarHBondContact O-CD2 3.49Å
2	F	68.3	Low	78	Confident	178 Å²	178	131.2 Å²	131.2	78%	0.781	64%	0.644	S	S	*	*	H	α-helix	trans	-55.5	-40	-178.7	-129.7	-90.7	0	0	0	114.7	H4 Y5 V6	F2-H4 VanDerWaalsContact C-N 3.33Å; F2-H4 PolarHBondContact O-N 3.35Å; F2-Y5 PolarHBondContact O-N 2.99Å; F2-V6 HydrophobicContact CD1-CG2 4.44Å; F2-V6 WeakPolarHBondContact O-CG2 3.4Å; F2-V6 PolarHBondContact O-N 3.3Å
3	H	75.2	Confident	78.3	Confident	170 Å²	170	128.5 Å²	128.5	79%	0.787	63%	0.632	S	S	*	*	H	α-helix	trans	-63.8	-31.4	-179.5	-80.1	-55.9	0	0	0	115	M1 L7	M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.34Å; H3-L7 PolarHBondContact O-N 3.4Å
4	H	73.8	Confident	78.4	Confident	147 Å²	147	122.9 Å²	122.9	68%	0.681	62%	0.616	S	S	*	*	H	α-helix	trans	-69.3	-40.3	179.2	-110.6	49.5	0	0	0	111.4	M1 F2 L7 V8	M1-H4 PolarHBondContact O-N 3.25Å; F2-H4 VanDerWaalsContact C-N 3.33Å; F2-H4 PolarHBondContact O-N 3.35Å; H4-L7 PolarHBondContact O-N 3.28Å; H4-V8 WeakPolarHBondContact O-CG2 3.31Å; H4-V8 PolarHBondContact O-N 3.27Å
5	Y	79.5	Confident	78.3	Confident	176 Å²	176	122.9 Å²	122.9	69%	0.69	61%	0.611	S	S	*	*	H	α-helix	trans	-66	-39.8	177.7	-70	-72.3	0	0	0	112.4	M1 F2 L7 V8 L9	M1-Y5 WeakPolarHBondContact O-CD2 3.49Å; F2-Y5 PolarHBondContact O-N 2.99Å; Y5-L7 VanDerWaalsContact C-N 3.32Å; Y5-L7 PolarHBondContact O-N 2.97Å; Y5-V8 PolarHBondContact O-N 3.47Å; Y5-L9 WeakPolarHBondContact O-CB 3.38Å; Y5-L9 PolarHBondContact O-N 3.18Å
6	V	82.4	Confident	78.1	Confident	68 Å²	68	118.5 Å²	118.5	41%	0.412	59%	0.593	S	S	.	*	H	α-helix	trans	-62.8	-41.3	176.4	176.8	0	0	0	0	110.9	F2 L9 I10	F2-V6 HydrophobicContact CD1-CG2 4.44Å; F2-V6 WeakPolarHBondContact O-CG2 3.4Å; F2-V6 PolarHBondContact O-N 3.3Å; V6-L9 PolarHBondContact O-N 3.34Å; V6-I10 HydrophobicContact CG1-CD1 3.95Å; V6-I10 VanDerWaalsContact O-CG1 3.31Å; V6-I10 WeakPolarHBondContact O-CG1 3.38Å; V6-I10 PolarHBondContact O-N 2.97Å
7	L	82.3	Confident	77.6	Confident	110 Å²	110	114.6 Å²	114.6	58%	0.576	58%	0.58	S	S	*	*	H	α-helix	trans	-64.9	-45.4	177.9	-168.7	123.2	0	0	0	112	H3 H4 Y5 L9 I10 C11	H3-L7 PolarHBondContact O-N 3.4Å; H4-L7 PolarHBondContact O-N 3.28Å; Y5-L7 VanDerWaalsContact C-N 3.32Å; Y5-L7 PolarHBondContact O-N 2.97Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 2.89Å; L7-I10 PolarHBondContact O-N 3.38Å; L7-C11 PolarHBondContact O-N 3.06Å; L7-C11 PolarHBondContact O-SG 3.34Å
8	V	82.3	Confident	77.1	Confident	94 Å²	94	113.7 Å²	113.7	57%	0.57	58%	0.581	S	S	*	*	H	α-helix	trans	-60.1	-39.9	175.7	172.4	0	0	0	0	111.3	H4 Y5 C11 F12	H4-V8 WeakPolarHBondContact O-CG2 3.31Å; H4-V8 PolarHBondContact O-N 3.27Å; Y5-V8 PolarHBondContact O-N 3.47Å; V8-C11 PolarHBondContact O-N 3.29Å; V8-F12 WeakPolarHBondContact O-CB 3.32Å; V8-F12 PolarHBondContact O-N 3.34Å
9	L	84	Confident	76.4	Confident	108 Å²	108	113.4 Å²	113.4	57%	0.565	58%	0.577	S	S	*	*	H	α-helix	trans	-66.3	-41.4	178.5	-167.1	122.1	0	0	0	112	Y5 V6 L7 F12 I13	Y5-L9 WeakPolarHBondContact O-CB 3.38Å; Y5-L9 PolarHBondContact O-N 3.18Å; V6-L9 PolarHBondContact O-N 3.34Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 2.89Å; L9-F12 PolarHBondContact O-N 3.29Å; L9-I13 HydrophobicContact CD2-CD1 3.72Å; L9-I13 HydrophobicContact CG-CD1 4.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.44Å
10	I	84.2	Confident	75.4	Confident	104 Å²	104	114.2 Å²	114.2	53%	0.533	58%	0.578	S	S	.	*	H	α-helix	trans	-62.4	-44	173.9	-67.8	164.9	0	0	0	110.6	V6 L7 F12 I13 A14	V6-I10 HydrophobicContact CG1-CD1 3.95Å; V6-I10 VanDerWaalsContact O-CG1 3.31Å; V6-I10 WeakPolarHBondContact O-CG1 3.38Å; V6-I10 PolarHBondContact O-N 2.97Å; L7-I10 PolarHBondContact O-N 3.38Å; I10-F12 VanDerWaalsContact C-N 3.32Å; I10-F12 PolarHBondContact O-N 2.96Å; I10-I13 PolarHBondContact O-N 3.27Å; I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 3.37Å
11	C	83.8	Confident	74.5	Confident	75 Å²	75	114.3 Å²	114.3	51%	0.507	58%	0.579	S	S	.	*	H	α-helix	trans	-61.5	-39.9	176	-68.1	0	0	0	0	112.2	L7 V8 A14 F15	L7-C11 PolarHBondContact O-N 3.06Å; L7-C11 PolarHBondContact O-SG 3.34Å; V8-C11 PolarHBondContact O-N 3.29Å; C11-A14 PolarHBondContact O-N 2.94Å; C11-F15 WeakPolarHBondContact O-CB 3.41Å; C11-F15 PolarHBondContact O-N 2.95Å
12	F	81.2	Confident	74.2	Confident	137 Å²	137	109.9 Å²	109.9	60%	0.601	56%	0.559	S	S	*	*	H	α-helix	trans	-65.5	-45.7	177.6	-171.6	-97	0	0	0	111.6	V8 L9 I10 A14 F15 T16	V8-F12 WeakPolarHBondContact O-CB 3.32Å; V8-F12 PolarHBondContact O-N 3.34Å; L9-F12 PolarHBondContact O-N 3.29Å; I10-F12 VanDerWaalsContact C-N 3.32Å; I10-F12 PolarHBondContact O-N 2.96Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 2.93Å; F12-F15 PolarHBondContact O-N 3.46Å; F12-T16 HydrophobicContact CD1-CG2 4.13Å; F12-T16 HydrophobicContact CE1-CG2 3.77Å; F12-T16 HydrophobicContact CZ-CG2 4.04Å; F12-T16 WeakPolarHBondContact O-CG2 3.41Å; F12-T16 PolarHBondContact O-N 2.82Å; F12-T16 PolarHBondContact O-OG1 3.13Å
13	I	81.6	Confident	73.4	Confident	96 Å²	96	105 Å²	105	49%	0.492	55%	0.552	S	S	.	*	H	α-helix	trans	-60.8	-45.5	176.8	-66.8	166.4	0	0	0	110.4	L9 I10 F15 T16 S17	L9-I13 HydrophobicContact CD2-CD1 3.72Å; L9-I13 HydrophobicContact CG-CD1 4.32Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.44Å; I10-I13 PolarHBondContact O-N 3.27Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 3.29Å; I13-T16 WeakPolarHBondContact CA-OG1 3.31Å; I13-T16 PolarHBondContact O-N 3.41Å; I13-T16 PolarHBondContact O-OG1 2.95Å; I13-S17 PolarHBondContact O-N 3.2Å; I13-S17 PolarHBondContact O-OG 3.32Å
14	A	79.9	Confident	72.3	Confident	50 Å²	50	101 Å²	101	41%	0.413	54%	0.539	S	S	.	.	H	α-helix	trans	-61.8	-37.8	177.1	0	0	0	0	0	112.8	I10 C11 F12 S17 V18	I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 3.37Å; C11-A14 PolarHBondContact O-N 2.94Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 2.93Å; A14-S17 PolarHBondContact O-OG 3.22Å; A14-V18 VanDerWaalsContact O-CG2 3.31Å; A14-V18 WeakPolarHBondContact O-CG2 3.41Å; A14-V18 PolarHBondContact O-N 3.45Å
15	F	76.9	Confident	71.2	Confident	124 Å²	124	97.2 Å²	97.2	54%	0.544	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-44.7	176.3	-174.2	-98.8	0	0	0	111.6	C11 F12 I13 S17 V18 Q19	C11-F15 WeakPolarHBondContact O-CB 3.41Å; C11-F15 PolarHBondContact O-N 2.95Å; F12-F15 PolarHBondContact O-N 3.46Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 3.29Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 2.96Å; F15-V18 PolarHBondContact O-N 3.48Å; F15-Q19 VanDerWaalsContact CE1-CD 3.42Å; F15-Q19 HydrophobicContact CE1-CG 4.21Å; F15-Q19 HydrophobicContact CZ-CG 4.46Å; F15-Q19 VanDerWaalsContact CZ-NE2 3.3Å; F15-Q19 PolarHBondContact O-N 2.87Å; F15-Q19 VanDerWaalsContact O-N 3.13Å
16	T	75.2	Confident	69.9	Low	52 Å²	52	95.3 Å²	95.3	32%	0.319	53%	0.526	S	S	.	.	H	α-helix	trans	-65.7	-35.4	178.1	57.7	0	0	0	0	112.6	F12 I13 Q19 H20	F12-T16 HydrophobicContact CD1-CG2 4.13Å; F12-T16 HydrophobicContact CE1-CG2 3.77Å; F12-T16 HydrophobicContact CZ-CG2 4.04Å; F12-T16 WeakPolarHBondContact O-CG2 3.41Å; F12-T16 PolarHBondContact O-N 2.82Å; F12-T16 PolarHBondContact O-OG1 3.13Å; I13-T16 WeakPolarHBondContact CA-OG1 3.31Å; I13-T16 PolarHBondContact O-N 3.41Å; I13-T16 PolarHBondContact O-OG1 2.95Å; T16-Q19 PolarHBondContact O-N 3.42Å; T16-H20 WeakPolarHBondContact O-CB 3.41Å; T16-H20 PolarHBondContact O-N 3.41Å
17	S	70.2	Confident	68.3	Low	53 Å²	53	98.4 Å²	98.4	37%	0.371	54%	0.54	S	S	.	.	H	α-helix	trans	-70.1	-38.2	178.1	62.5	0	0	0	0	112.2	I13 A14 F15 Q19 H20 I21	I13-S17 PolarHBondContact O-N 3.2Å; I13-S17 PolarHBondContact O-OG 3.32Å; A14-S17 PolarHBondContact O-OG 3.22Å; F15-S17 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 2.96Å; S17-Q19 VanDerWaalsContact C-N 3.35Å; S17-H20 PolarHBondContact O-N 2.88Å; S17-I21 WeakPolarHBondContact O-CB 3.38Å; S17-I21 WeakPolarHBondContact O-CD1 3.48Å; S17-I21 WeakPolarHBondContact O-CG1 3.21Å; S17-I21 PolarHBondContact O-N 3.27Å
18	V	68.8	Low	66.6	Low	97 Å²	97	99.1 Å²	99.1	59%	0.588	54%	0.539	S	S	*	.	H	α-helix	trans	-61.8	-44.4	173.3	171.8	0	0	0	0	110.8	A14 F15 H20 I21 D22	A14-V18 VanDerWaalsContact O-CG2 3.31Å; A14-V18 WeakPolarHBondContact O-CG2 3.41Å; A14-V18 PolarHBondContact O-N 3.45Å; F15-V18 PolarHBondContact O-N 3.48Å; V18-H20 VanDerWaalsContact C-N 3.34Å; V18-H20 PolarHBondContact O-N 3.49Å; V18-I21 PolarHBondContact O-N 3.47Å; V18-D22 PolarHBondContact O-N 3.38Å; V18-D22 VanDerWaalsContact O-N 3.11Å
19	Q	62.5	Low	64.9	Low	109 Å²	109	98.2 Å²	98.2	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-37.2	175.7	-71.3	-170.4	-27.3	0	0	112.6	F15 T16 S17 D22 A23	F15-Q19 VanDerWaalsContact CE1-CD 3.42Å; F15-Q19 HydrophobicContact CE1-CG 4.21Å; F15-Q19 HydrophobicContact CZ-CG 4.46Å; F15-Q19 VanDerWaalsContact CZ-NE2 3.3Å; F15-Q19 PolarHBondContact O-N 2.87Å; F15-Q19 VanDerWaalsContact O-N 3.13Å; T16-Q19 PolarHBondContact O-N 3.42Å; S17-Q19 VanDerWaalsContact C-N 3.35Å; Q19-D22 PolarHBondContact O-N 2.83Å; Q19-A23 WeakPolarHBondContact O-CB 3.48Å; Q19-A23 PolarHBondContact O-N 3.43Å
20	H	56.8	Low	62.9	Low	128 Å²	128	95.1 Å²	95.1	59%	0.593	53%	0.529	S	S	*	.	H	α-helix	trans	-68.9	-40.1	177.9	-127.1	-70.3	0	0	0	111.8	T16 S17 V18 D22 A23 T24	T16-H20 WeakPolarHBondContact O-CB 3.41Å; T16-H20 PolarHBondContact O-N 3.41Å; S17-H20 PolarHBondContact O-N 2.88Å; V18-H20 VanDerWaalsContact C-N 3.34Å; V18-H20 PolarHBondContact O-N 3.49Å; H20-D22 VanDerWaalsContact C-N 3.32Å; H20-D22 PolarHBondContact O-N 3.18Å; H20-A23 CarbonylContact O-C 3.53Å; H20-A23 PolarHBondContact O-N 2.84Å; H20-T24 PolarHBondContact O-N 3.23Å; H20-T24 PolarHBondContact O-OG1 3.49Å
21	I	57	Low	61.3	Low	118 Å²	118	94.4 Å²	94.4	61%	0.605	53%	0.533	S	S	*	.	H	α-helix	trans	-60.3	-44.6	175.6	-70.2	163.5	0	0	0	110.1	S17 V18 A23 T24 D25	S17-I21 WeakPolarHBondContact O-CB 3.38Å; S17-I21 WeakPolarHBondContact O-CD1 3.48Å; S17-I21 WeakPolarHBondContact O-CG1 3.21Å; S17-I21 PolarHBondContact O-N 3.27Å; V18-I21 PolarHBondContact O-N 3.47Å; I21-A23 VanDerWaalsContact C-N 3.28Å; I21-A23 PolarHBondContact O-N 3.11Å; I21-T24 WeakPolarHBondContact CA-OG1 3.47Å; I21-T24 PolarHBondContact O-N 2.81Å; I21-T24 PolarHBondContact O-OG1 3.43Å; I21-D25 PolarHBondContact O-N 3Å
22	D	52.8	Low	59.6	Low	114 Å²	114	99.7 Å²	99.7	61%	0.61	55%	0.547	S	S	*	.	H	α-helix	trans	-64.8	-33.2	177.2	-156.8	21.2	0	0	0	111.9	V18 Q19 H20	V18-D22 PolarHBondContact O-N 3.38Å; V18-D22 VanDerWaalsContact O-N 3.11Å; Q19-D22 PolarHBondContact O-N 2.83Å; H20-D22 VanDerWaalsContact C-N 3.32Å; H20-D22 PolarHBondContact O-N 3.18Å
23	A	52.1	Low	57.9	Low	76 Å²	76	99.6 Å²	99.6	63%	0.628	55%	0.549	S	S	*	.	H	α-helix	trans	-80.2	-29	177.4	0	0	0	0	0	114.4	Q19 H20 I21 D25	Q19-A23 WeakPolarHBondContact O-CB 3.48Å; Q19-A23 PolarHBondContact O-N 3.43Å; H20-A23 CarbonylContact O-C 3.53Å; H20-A23 PolarHBondContact O-N 2.84Å; I21-A23 VanDerWaalsContact C-N 3.28Å; I21-A23 PolarHBondContact O-N 3.11Å; A23-D25 VanDerWaalsContact C-N 3.29Å
24	T	52	Low	56.2	Low	84 Å²	84	97.1 Å²	97.1	52%	0.515	54%	0.535	S	S	.	.	S	Bend	trans	-85.8	2.4	174.5	46	0	0	0	0	113.5	H20 I21 D26	H20-T24 PolarHBondContact O-N 3.23Å; H20-T24 PolarHBondContact O-OG1 3.49Å; I21-T24 WeakPolarHBondContact CA-OG1 3.47Å; I21-T24 PolarHBondContact O-N 2.81Å; I21-T24 PolarHBondContact O-OG1 3.43Å; T24-D26 PolarHBondContact O-N 3.23Å
25	D	49.3	Very low	54.7	Low	68 Å²	68	98.7 Å²	98.7	36%	0.364	54%	0.543	S	S	.	.			trans	-67.6	89.5	165	-164.9	7.8	0	0	0	107.4	I21 A23 N27 F28	I21-D25 PolarHBondContact O-N 3Å; A23-D25 VanDerWaalsContact C-N 3.29Å; D25-N27 PolarHBondContact O-N 2.89Å; D25-N27 VanDerWaalsContact OD1-CB 3.24Å; D25-N27 WeakPolarHBondContact OD1-CB 3.24Å; D25-N27 VanDerWaalsContact OD1-CG 3.27Å; D25-N27 PolarHBondContact OD1-N 3.32Å; D25-N27 PolarHBondContact OD1-ND2 2.78Å; D25-F28 WeakPolarHBondContact O-CB 3.4Å; D25-F28 PolarHBondContact O-N 3.16Å
26	D	52.6	Low	53.4	Low	137 Å²	137	97.5 Å²	97.5	73%	0.733	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-55.3	-9.7	174.8	-72.6	-38.5	0	0	0	112	T24 F28 A29	T24-D26 PolarHBondContact O-N 3.23Å; D26-F28 PolarHBondContact O-N 3.4Å; D26-A29 PolarHBondContact O-N 2.72Å; D26-A29 VanDerWaalsContact O-N 3.16Å
27	N	49.7	Very low	52.1	Low	132 Å²	132	103 Å²	103	71%	0.706	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-64.7	-16.9	165.5	-64.4	-47.3	0	0	0	113.7	D25 A29	D25-N27 PolarHBondContact O-N 2.89Å; D25-N27 VanDerWaalsContact OD1-CB 3.24Å; D25-N27 WeakPolarHBondContact OD1-CB 3.24Å; D25-N27 VanDerWaalsContact OD1-CG 3.27Å; D25-N27 PolarHBondContact OD1-N 3.32Å; D25-N27 PolarHBondContact OD1-ND2 2.78Å; N27-A29 VanDerWaalsContact C-N 3.35Å
28	F	45.7	Very low	51	Low	126 Å²	126	104.7 Å²	104.7	55%	0.553	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-79.4	-17.8	172.8	-128.2	-85.1	0	0	0	112.7	D25 D26 S30	D25-F28 WeakPolarHBondContact O-CB 3.4Å; D25-F28 PolarHBondContact O-N 3.16Å; D26-F28 PolarHBondContact O-N 3.4Å; F28-S30 PolarHBondContact O-N 3.17Å
29	A	47.1	Very low	50.3	Low	75 Å²	75	101.6 Å²	101.6	62%	0.62	55%	0.551	S	S	*	*			trans	-84	-3.9	-175.7	0	0	0	0	0	114.7	D26 N27 S31	D26-A29 PolarHBondContact O-N 2.72Å; D26-A29 VanDerWaalsContact O-N 3.16Å; N27-A29 VanDerWaalsContact C-N 3.35Å; A29-S31 PolarHBondContact O-N 3.1Å
30	S	42.1	Very low	50	Low	43 Å²	43	99.5 Å²	99.5	30%	0.301	55%	0.547	S	S	.	.			trans	-78.7	64.4	167.2	-167.8	0	0	0	0	110.4	F28 K32 E33 Q34	F28-S30 PolarHBondContact O-N 3.17Å; S30-K32 PolarHBondContact O-N 3.49Å; S30-E33 PolarHBondContact O-N 2.88Å; S30-E33 VanDerWaalsContact O-N 3.1Å; S30-E33 WeakPolarHBondContact OG-CB 3.49Å; S30-E33 WeakPolarHBondContact OG-CG 3.35Å; S30-E33 PolarHBondContact OG-N 3.49Å; S30-E33 PolarHBondContact OG-OE2 3.07Å; S30-E33 VanDerWaalsContact OG-OE2 3.04Å; S30-Q34 PolarHBondContact O-N 2.9Å
31	S	50.8	Low	50.1	Low	89 Å²	89	97.5 Å²	97.5	62%	0.622	54%	0.539	S	S	*	.	H	α-helix	trans	-59.3	-23	172.1	57	0	0	0	0	112.2	A29 S35	A29-S31 PolarHBondContact O-N 3.1Å; S31-S35 PolarHBondContact O-N 3.24Å
32	K	47.3	Very low	50.3	Low	185 Å²	185	100.1 Å²	100.1	80%	0.804	54%	0.542	S	S	*	.	H	α-helix	trans	-68.7	-42.3	172.1	-84.3	-176	175.1	178.9	0	112.7	S30 S35	S30-K32 PolarHBondContact O-N 3.49Å; K32-S35 PolarHBondContact O-OG 3.04Å
33	E	45.3	Very low	50.6	Low	135 Å²	135	98.6 Å²	98.6	63%	0.631	53%	0.528	S	S	*	.	H	α-helix	trans	-84.5	-25.5	176.7	-71.6	177.3	137.2	0	0	113.7	S30 S35 T36 K37	S30-E33 PolarHBondContact O-N 2.88Å; S30-E33 VanDerWaalsContact O-N 3.1Å; S30-E33 WeakPolarHBondContact OG-CB 3.49Å; S30-E33 WeakPolarHBondContact OG-CG 3.35Å; S30-E33 PolarHBondContact OG-N 3.49Å; S30-E33 PolarHBondContact OG-OE2 3.07Å; S30-E33 VanDerWaalsContact OG-OE2 3.04Å; E33-S35 PolarHBondContact O-N 2.93Å; E33-T36 PolarHBondContact O-N 3.31Å; E33-T36 PolarHBondContact O-OG1 3.44Å; E33-K37 PolarHBondContact O-N 2.97Å; E33-K37 VanDerWaalsContact O-N 3.07Å
34	Q	46.1	Very low	51.3	Low	45 Å²	45	101.2 Å²	101.2	21%	0.21	53%	0.527	C	S	.	.	H	α-helix	trans	-64	-29	174.3	-100.3	-175.2	-12.8	0	0	112.1	S30 T36 K37 F38	S30-Q34 PolarHBondContact O-N 2.9Å; Q34-T36 PolarHBondContact O-N 3.12Å; Q34-K37 PolarHBondContact O-N 3.27Å; Q34-F38 HydrophobicContact CB-CD2 3.66Å; Q34-F38 HydrophobicContact CB-CE2 3.59Å; Q34-F38 HydrophobicContact CG-CD2 3.79Å; Q34-F38 HydrophobicContact CG-CE2 3.25Å; Q34-F38 HydrophobicContact CG-CZ 3.9Å; Q34-F38 VanDerWaalsContact NE2-CE2 3.3Å; Q34-F38 VanDerWaalsContact NE2-CZ 3.29Å; Q34-F38 WeakPolarHBondContact O-CB 3.34Å; Q34-F38 WeakPolarHBondContact O-CD2 3.25Å; Q34-F38 WeakPolarHBondContact O-CG 3.42Å; Q34-F38 PolarHBondContact O-N 3.47Å
35	S	48.3	Very low	51.8	Low	83 Å²	83	103 Å²	103	58%	0.58	53%	0.53	S	S	*	.	H	α-helix	trans	-57.9	-36.6	176.2	77	0	0	0	0	112.8	S31 K32 E33 A39	S31-S35 PolarHBondContact O-N 3.24Å; K32-S35 PolarHBondContact O-OG 3.04Å; E33-S35 PolarHBondContact O-N 2.93Å; S35-A39 PolarHBondContact O-N 2.84Å
36	T	49.5	Very low	52.7	Low	98 Å²	98	103.8 Å²	103.8	60%	0.601	53%	0.533	S	S	*	.	H	α-helix	trans	-86.1	-37.5	177.6	54.7	0	0	0	0	111.7	E33 Q34 F38 A39 P40	E33-T36 PolarHBondContact O-N 3.31Å; E33-T36 PolarHBondContact O-OG1 3.44Å; Q34-T36 PolarHBondContact O-N 3.12Å; T36-F38 VanDerWaalsContact C-N 3.35Å; T36-F38 PolarHBondContact O-N 3.2Å; T36-A39 VanDerWaalsContact O-CB 3.25Å; T36-A39 WeakPolarHBondContact O-CB 3.13Å; T36-A39 PolarHBondContact O-N 3.32Å; T36-P40 WeakPolarHBondContact O-CD 3.48Å
37	K	47.4	Very low	53.5	Low	168 Å²	168	102.1 Å²	102.1	73%	0.73	52%	0.519	S	S	*	.	H	α-helix	trans	-69.4	-30.1	179.3	-148.3	173.7	-173.8	178.1	0	113.3	E33 Q34 P40	E33-K37 PolarHBondContact O-N 2.97Å; E33-K37 VanDerWaalsContact O-N 3.07Å; Q34-K37 PolarHBondContact O-N 3.27Å; K37-P40 WeakPolarHBondContact O-CD 3.33Å; K37-P40 WeakPolarHBondContact O-CG 3.4Å
38	F	47.9	Very low	54.5	Low	88 Å²	88	103.5 Å²	103.5	39%	0.386	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.3	172.7	-66.7	-55.9	0	0	0	114.3	Q34 T36 P40 I41 R42	Q34-F38 HydrophobicContact CB-CD2 3.66Å; Q34-F38 HydrophobicContact CB-CE2 3.59Å; Q34-F38 HydrophobicContact CG-CD2 3.79Å; Q34-F38 HydrophobicContact CG-CE2 3.25Å; Q34-F38 HydrophobicContact CG-CZ 3.9Å; Q34-F38 VanDerWaalsContact NE2-CE2 3.3Å; Q34-F38 VanDerWaalsContact NE2-CZ 3.29Å; Q34-F38 WeakPolarHBondContact O-CB 3.34Å; Q34-F38 WeakPolarHBondContact O-CD2 3.25Å; Q34-F38 WeakPolarHBondContact O-CG 3.42Å; Q34-F38 PolarHBondContact O-N 3.47Å; T36-F38 VanDerWaalsContact C-N 3.35Å; T36-F38 PolarHBondContact O-N 3.2Å; F38-P40 VanDerWaalsContact C-N 3.33Å; F38-I41 HydrophobicContact CD1-CD1 3.88Å; F38-I41 HydrophobicContact CE1-CD1 4.32Å; F38-I41 PolarHBondContact O-N 3.44Å; F38-I41 VanDerWaalsContact O-N 3.12Å; F38-R42 WeakPolarHBondContact O-CB 3.37Å; F38-R42 PolarHBondContact O-N 2.87Å
39	A	53.7	Low	55.7	Low	32 Å²	32	102.1 Å²	102.1	26%	0.264	51%	0.513	S	S	.	.	H	α-helix	trans	-50.9	-47.3	174	0	0	0	0	0	112.4	S35 T36 R43	S35-A39 PolarHBondContact O-N 2.84Å; T36-A39 VanDerWaalsContact O-CB 3.25Å; T36-A39 WeakPolarHBondContact O-CB 3.13Å; T36-A39 PolarHBondContact O-N 3.32Å; A39-R43 WeakPolarHBondContact O-CB 3.35Å; A39-R43 WeakPolarHBondContact O-CD 3.41Å; A39-R43 WeakPolarHBondContact O-CG 3.47Å; A39-R43 PolarHBondContact O-N 3.43Å; A39-R43 VanDerWaalsContact O-N 3.1Å
40	P	57.3	Low	56.6	Low	66 Å²	66	99.6 Å²	99.6	43%	0.429	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-42.7	175.7	23.6	-33.6	0	0	0	112.8	T36 K37 F38 R42 R43 H44	T36-P40 WeakPolarHBondContact O-CD 3.48Å; K37-P40 WeakPolarHBondContact O-CD 3.33Å; K37-P40 WeakPolarHBondContact O-CG 3.4Å; F38-P40 VanDerWaalsContact C-N 3.33Å; P40-R42 PolarHBondContact O-N 3.45Å; P40-R43 WeakPolarHBondContact O-CB 3.14Å; P40-R43 PolarHBondContact O-N 3.27Å; P40-H44 PolarHBondContact O-CD2 3.08Å; P40-H44 PolarHBondContact O-N 3.01Å
41	I	58.9	Low	58.1	Low	85 Å²	85	100.9 Å²	100.9	44%	0.436	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-45	-178.3	-64.9	170.4	0	0	0	110.9	F38 R43 H44 M45	F38-I41 HydrophobicContact CD1-CD1 3.88Å; F38-I41 HydrophobicContact CE1-CD1 4.32Å; F38-I41 PolarHBondContact O-N 3.44Å; F38-I41 VanDerWaalsContact O-N 3.12Å; I41-R43 VanDerWaalsContact C-N 3.31Å; I41-R43 PolarHBondContact O-N 3.48Å; I41-H44 PolarHBondContact O-N 3.4Å; I41-M45 HydrophobicContact CG2-CE 4.06Å; I41-M45 WeakPolarHBondContact O-CG 3.47Å; I41-M45 PolarHBondContact O-N 3.23Å
42	R	60.3	Low	59.1	Low	174 Å²	174	103 Å²	103	66%	0.657	49%	0.485	S	S	*	.	H	α-helix	trans	-62.8	-39.4	177.6	-166.2	176.4	-176.4	-168.3	0.2	111.3	F38 P40 M45 M46	F38-R42 WeakPolarHBondContact O-CB 3.37Å; F38-R42 PolarHBondContact O-N 2.87Å; P40-R42 PolarHBondContact O-N 3.45Å; R42-M45 PolarHBondContact O-N 2.95Å; R42-M46 HydrophobicContact CG-CE 4.16Å; R42-M46 WeakPolarHBondContact O-CG 3.42Å; R42-M46 PolarHBondContact O-N 3.1Å
43	R	59.8	Low	60.3	Low	82 Å²	82	95.9 Å²	95.9	31%	0.309	46%	0.456	S	S	.	.	H	α-helix	trans	-62.6	-45.5	173.6	-72.7	169.8	-170.9	-157.7	2.4	111.8	A39 P40 I41 M45 M46 K47 H71	A39-R43 WeakPolarHBondContact O-CB 3.35Å; A39-R43 WeakPolarHBondContact O-CD 3.41Å; A39-R43 WeakPolarHBondContact O-CG 3.47Å; A39-R43 PolarHBondContact O-N 3.43Å; A39-R43 VanDerWaalsContact O-N 3.1Å; P40-R43 WeakPolarHBondContact O-CB 3.14Å; P40-R43 PolarHBondContact O-N 3.27Å; I41-R43 VanDerWaalsContact C-N 3.31Å; I41-R43 PolarHBondContact O-N 3.48Å; R43-M45 VanDerWaalsContact C-N 3.35Å; R43-M45 PolarHBondContact O-N 2.89Å; R43-M46 PolarHBondContact O-N 3.39Å; R43-K47 WeakPolarHBondContact O-CB 3.48Å; R43-K47 PolarHBondContact O-N 3.07Å; R43-H71 PolarHBondContact NH2-CE1 2.93Å; R43-H71 PolarHBondContact NH2-NE2 3.44Å
44	H	65.5	Low	61.2	Low	131 Å²	131	90.9 Å²	90.9	61%	0.606	44%	0.435	S	S	*	.	H	α-helix	trans	-59.7	-44.2	176	-78.8	-64.4	0	0	0	111.9	P40 I41 K47 R48	P40-H44 PolarHBondContact O-CD2 3.08Å; P40-H44 PolarHBondContact O-N 3.01Å; I41-H44 PolarHBondContact O-N 3.4Å; H44-K47 PolarHBondContact O-N 3.4Å; H44-R48 VanDerWaalsContact O-CB 3.3Å; H44-R48 WeakPolarHBondContact O-CB 3.47Å; H44-R48 PolarHBondContact O-N 3.33Å
45	M	63.9	Low	62.5	Low	121 Å²	121	97.7 Å²	97.7	60%	0.596	46%	0.458	S	S	*	.	H	α-helix	trans	-62.3	-44	176.8	-70.6	-170.8	178.7	0	0	112.2	I41 R42 R43 R48 N49	I41-M45 HydrophobicContact CG2-CE 4.06Å; I41-M45 WeakPolarHBondContact O-CG 3.47Å; I41-M45 PolarHBondContact O-N 3.23Å; R42-M45 PolarHBondContact O-N 2.95Å; R43-M45 VanDerWaalsContact C-N 3.35Å; R43-M45 PolarHBondContact O-N 2.89Å; M45-R48 PolarHBondContact O-N 3.39Å; M45-N49 WeakPolarHBondContact O-CB 3.45Å; M45-N49 PolarHBondContact O-N 3.41Å
46	M	67.6	Low	63.7	Low	84 Å²	84	98.9 Å²	98.9	41%	0.414	46%	0.458	S	S	.	.	H	α-helix	trans	-62.1	-48	177.2	-74.1	176.7	172.1	0	0	112.3	R42 R43 R48 N49 Y50 W68	R42-M46 HydrophobicContact CG-CE 4.16Å; R42-M46 WeakPolarHBondContact O-CG 3.42Å; R42-M46 PolarHBondContact O-N 3.1Å; R43-M46 PolarHBondContact O-N 3.39Å; M46-R48 VanDerWaalsContact C-N 3.31Å; M46-R48 PolarHBondContact O-N 2.96Å; M46-N49 PolarHBondContact O-N 3.4Å; M46-Y50 PolarHBondContact O-N 3.47Å; M46-W68 HydrophobicContact CB-CE3 4.01Å; M46-W68 HydrophobicContact CB-CZ3 3.81Å
47	K	68.3	Low	64.8	Low	103 Å²	103	97.3 Å²	97.3	45%	0.448	46%	0.461	S	S	.	.	H	α-helix	trans	-58.7	-44.2	177.4	-176.9	175.5	179.7	176.5	0	111.2	R43 H44 Y50 L51 W68	R43-K47 WeakPolarHBondContact O-CB 3.48Å; R43-K47 PolarHBondContact O-N 3.07Å; H44-K47 PolarHBondContact O-N 3.4Å; K47-Y50 PolarHBondContact O-N 2.92Å; K47-L51 HydrophobicContact CG-CD1 4.1Å; K47-L51 PolarHBondContact O-N 2.85Å; K47-W68 HydrophobicContact CB-CZ2 4.35Å
48	R	71.5	Confident	65.8	Low	161 Å²	161	96.4 Å²	96.4	61%	0.608	46%	0.457	S	S	*	.	H	α-helix	trans	-67.4	-44.2	-178.8	-150.8	-176	70.2	159.9	4.2	111.9	H44 M45 M46 Y50 L51 W52	H44-R48 VanDerWaalsContact O-CB 3.3Å; H44-R48 WeakPolarHBondContact O-CB 3.47Å; H44-R48 PolarHBondContact O-N 3.33Å; M45-R48 PolarHBondContact O-N 3.39Å; M46-R48 VanDerWaalsContact C-N 3.31Å; M46-R48 PolarHBondContact O-N 2.96Å; R48-Y50 VanDerWaalsContact C-N 3.28Å; R48-Y50 PolarHBondContact O-N 3.28Å; R48-L51 PolarHBondContact O-N 3.01Å; R48-W52 PolarHBondContact O-N 3.31Å
49	N	70.3	Confident	66.4	Low	97 Å²	97	99 Å²	99	52%	0.519	46%	0.464	S	S	.	.	H	α-helix	trans	-60.4	-39.6	175.8	-81.6	0.8	0	0	0	111.9	M45 M46 W52 D53	M45-N49 WeakPolarHBondContact O-CB 3.45Å; M45-N49 PolarHBondContact O-N 3.41Å; M46-N49 PolarHBondContact O-N 3.4Å; N49-W52 WeakPolarHBondContact O-CB 3.3Å; N49-W52 PolarHBondContact O-N 2.97Å; N49-D53 PolarHBondContact O-N 3.49Å
50	Y	67	Low	66.7	Low	22 Å²	22	102.2 Å²	102.2	9%	0.086	49%	0.485	C	S	.	.	H	α-helix	trans	-68.6	-42.2	177.2	-176.4	-79.9	0	0	0	113	M46 K47 R48 W52 D53 T54 R59 S60 M61 N62 F66 W68	M46-Y50 PolarHBondContact O-N 3.47Å; K47-Y50 PolarHBondContact O-N 2.92Å; R48-Y50 VanDerWaalsContact C-N 3.28Å; R48-Y50 PolarHBondContact O-N 3.28Å; Y50-W52 PolarHBondContact O-N 3.43Å; Y50-D53 PolarHBondContact O-N 3.36Å; Y50-D53 VanDerWaalsContact O-N 3.15Å; Y50-T54 VanDerWaalsContact CD1-OG1 3.25Å; Y50-T54 WeakPolarHBondContact CD1-OG1 3.29Å; Y50-T54 WeakPolarHBondContact CE1-OG1 3.48Å; Y50-T54 WeakPolarHBondContact O-CB 3.44Å; Y50-T54 PolarHBondContact O-N 3.15Å; Y50-T54 PolarHBondContact O-OG1 3.48Å; Y50-R59 HydrophobicContact CE2-CB 3.98Å; Y50-R59 HydrophobicContact CE2-CG 4.39Å; Y50-S60 PolarHBondContact OH-O 3.1Å; Y50-M61 WeakPolarHBondContact OH-CA 3.5Å; Y50-N62 PolarHBondContact OH-N 3.48Å; Y50-F66 HydrophobicContact CD1-CD1 4.41Å; Y50-F66 AromaticContact CD1-CE1 3.3Å; Y50-F66 HydrophobicContact CD1-CE1 3.3Å; Y50-F66 AromaticContact CD1-CZ 3.73Å; Y50-F66 HydrophobicContact CD1-CZ 3.73Å; Y50-F66 HydrophobicContact CD2-CD1 4.31Å; Y50-F66 AromaticContact CD2-CE1 3.72Å; Y50-F66 HydrophobicContact CD2-CE1 3.72Å; Y50-F66 HydrophobicContact CE1-CD1 4.35Å; Y50-F66 AromaticContact CE1-CE1 3.08Å; Y50-F66 HydrophobicContact CE1-CE1 3.08Å; Y50-F66 AromaticContact CE1-CZ 3.23Å; Y50-F66 HydrophobicContact CE1-CZ 3.23Å; Y50-F66 HydrophobicContact CE2-CD1 4.2Å; Y50-F66 AromaticContact CE2-CE1 3.48Å; Y50-F66 HydrophobicContact CE2-CE1 3.48Å; Y50-F66 VanDerWaalsContact CE2-CE1 3.48Å; Y50-F66 HydrophobicContact CE2-CZ 4.35Å; Y50-F66 HydrophobicContact CG-CD1 4.38Å; Y50-F66 AromaticContact CG-CE1 3.61Å; Y50-F66 HydrophobicContact CG-CE1 3.61Å; Y50-F66 HydrophobicContact CG-CZ 4.47Å; Y50-F66 AromaticContact CZ-CE1 3.13Å; Y50-F66 AromaticContact CZ-CZ 3.56Å; Y50-W68 HydrophobicContact CD2-CH2 4.33Å; Y50-W68 AromaticContact CG-CH2 3.98Å; Y50-W68 HydrophobicContact CG-CH2 3.98Å; Y50-W68 HydrophobicContact CG-CZ2 4.29Å
51	L	73	Confident	66.9	Low	69 Å²	69	105.6 Å²	105.6	36%	0.361	50%	0.497	S	S	.	.	H	α-helix	trans	-56	-41.5	173.4	-87	153.1	0	0	0	110.9	K47 R48 T54 R55	K47-L51 HydrophobicContact CG-CD1 4.1Å; K47-L51 PolarHBondContact O-N 2.85Å; R48-L51 PolarHBondContact O-N 3.01Å; L51-T54 PolarHBondContact O-N 2.88Å; L51-R55 WeakPolarHBondContact O-CB 3.25Å; L51-R55 VanDerWaalsContact O-CG 3.29Å; L51-R55 WeakPolarHBondContact O-CG 3.48Å; L51-R55 PolarHBondContact O-N 3.28Å
52	W	72.1	Confident	67.1	Low	133 Å²	133	105.2 Å²	105.2	50%	0.504	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-47.4	173	-81.6	114.9	0	0	0	112.8	R48 N49 Y50 T54 R55 L56	R48-W52 PolarHBondContact O-N 3.31Å; N49-W52 WeakPolarHBondContact O-CB 3.3Å; N49-W52 PolarHBondContact O-N 2.97Å; Y50-W52 PolarHBondContact O-N 3.43Å; W52-T54 VanDerWaalsContact C-N 3.29Å; W52-T54 PolarHBondContact O-N 2.95Å; W52-R55 PolarHBondContact O-N 2.83Å; W52-L56 WeakPolarHBondContact O-CB 3.29Å; W52-L56 VanDerWaalsContact O-CG 3.29Å; W52-L56 WeakPolarHBondContact O-CG 3.47Å; W52-L56 PolarHBondContact O-N 3.01Å
53	D	72.2	Confident	67	Low	36 Å²	36	105 Å²	105	19%	0.193	50%	0.495	C	S	.	.	H	α-helix	trans	-60.6	-38.1	177.2	-84.3	-8.3	0	0	0	112.4	N49 Y50 L56 G57 K58 R59	N49-D53 PolarHBondContact O-N 3.49Å; Y50-D53 PolarHBondContact O-N 3.36Å; Y50-D53 VanDerWaalsContact O-N 3.15Å; D53-L56 CarbonylContact O-C 3.59Å; D53-L56 PolarHBondContact O-N 2.85Å; D53-G57 PolarHBondContact O-N 3.22Å; D53-K58 HydrophobicContact CB-CB 4.27Å; D53-K58 WeakPolarHBondContact O-CB 3.46Å; D53-K58 PolarHBondContact O-N 3.35Å; D53-R59 HydrophobicContact CB-CB 4.46Å; D53-R59 HydrophobicContact CB-CG 4.04Å; D53-R59 IonicContact OD2-CZ 3.58Å; D53-R59 IonicContact OD2-NE 2.85Å; D53-R59 PolarHBondContact OD2-NE 3.13Å; D53-R59 IonicContact OD2-NH2 3.6Å
54	T	64.8	Low	66.9	Low	31 Å²	31	108.3 Å²	108.3	19%	0.19	51%	0.514	C	S	.	.	H	α-helix	trans	-68	-44.5	177.8	-51.8	0	0	0	0	111	Y50 L51 W52 L56 G57 M61	Y50-T54 VanDerWaalsContact CD1-OG1 3.25Å; Y50-T54 WeakPolarHBondContact CD1-OG1 3.29Å; Y50-T54 WeakPolarHBondContact CE1-OG1 3.48Å; Y50-T54 WeakPolarHBondContact O-CB 3.44Å; Y50-T54 PolarHBondContact O-N 3.15Å; Y50-T54 PolarHBondContact O-OG1 3.48Å; L51-T54 PolarHBondContact O-N 2.88Å; W52-T54 VanDerWaalsContact C-N 3.29Å; W52-T54 PolarHBondContact O-N 2.95Å; T54-L56 PolarHBondContact O-N 2.82Å; T54-G57 WeakPolarHBondContact O-CA 3.36Å; T54-G57 PolarHBondContact O-N 3.34Å; T54-M61 HydrophobicContact CG2-CB 3.9Å; T54-M61 HydrophobicContact CG2-CG 4.01Å; T54-M61 HydrophobicContact CG2-SD 4.05Å
55	R	72.3	Confident	66.6	Low	187 Å²	187	105.2 Å²	105.2	71%	0.706	51%	0.51	S	S	*	.	H	α-helix	trans	-62	-32.1	174.6	-74.8	174.9	178.8	-176.3	-2.1	112.3	L51 W52 G57	L51-R55 WeakPolarHBondContact O-CB 3.25Å; L51-R55 VanDerWaalsContact O-CG 3.29Å; L51-R55 WeakPolarHBondContact O-CG 3.48Å; L51-R55 PolarHBondContact O-N 3.28Å; W52-R55 PolarHBondContact O-N 2.83Å; R55-G57 PolarHBondContact O-N 3.05Å
56	L	74.4	Confident	66.2	Low	108 Å²	108	100.4 Å²	100.4	57%	0.565	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	2.2	173.5	-66.5	174.2	0	0	0	113.4	W52 D53 T54 K58	W52-L56 WeakPolarHBondContact O-CB 3.29Å; W52-L56 VanDerWaalsContact O-CG 3.29Å; W52-L56 WeakPolarHBondContact O-CG 3.47Å; W52-L56 PolarHBondContact O-N 3.01Å; D53-L56 CarbonylContact O-C 3.59Å; D53-L56 PolarHBondContact O-N 2.85Å; T54-L56 PolarHBondContact O-N 2.82Å; L56-K58 HydrophobicContact CB-CD 4.34Å; L56-K58 HydrophobicContact CB-CG 4.09Å; L56-K58 PolarHBondContact O-N 3.34Å
57	G	72.8	Confident	65.8	Low	65 Å²	65	101 Å²	101	67%	0.67	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	10	-178.6	0	0	0	0	0	114.6	D53 T54 R55 R59	D53-G57 PolarHBondContact O-N 3.22Å; T54-G57 WeakPolarHBondContact O-CA 3.36Å; T54-G57 PolarHBondContact O-N 3.34Å; R55-G57 PolarHBondContact O-N 3.05Å; G57-R59 VanDerWaalsContact C-N 3.34Å
58	K	69.2	Low	65.3	Low	150 Å²	150	97.8 Å²	97.8	65%	0.652	48%	0.481	S	S	*	.	S	Bend	trans	-76.2	-22.2	-178	-65.8	-177.8	178.7	178.4	0	113.1	D53 L56	D53-K58 HydrophobicContact CB-CB 4.27Å; D53-K58 WeakPolarHBondContact O-CB 3.46Å; D53-K58 PolarHBondContact O-N 3.35Å; L56-K58 HydrophobicContact CB-CD 4.34Å; L56-K58 HydrophobicContact CB-CG 4.09Å; L56-K58 PolarHBondContact O-N 3.34Å
59	R	58.9	Low	64.6	Low	141 Å²	141	93.6 Å²	93.6	53%	0.532	47%	0.466	S	S	.	.	S	Bend	trans	-137.8	133.6	-178.4	-64.5	-177.6	-170.8	-127	-3.9	109.6	Y50 D53 G57	Y50-R59 HydrophobicContact CE2-CB 3.98Å; Y50-R59 HydrophobicContact CE2-CG 4.39Å; D53-R59 HydrophobicContact CB-CB 4.46Å; D53-R59 HydrophobicContact CB-CG 4.04Å; D53-R59 IonicContact OD2-CZ 3.58Å; D53-R59 IonicContact OD2-NE 2.85Å; D53-R59 PolarHBondContact OD2-NE 3.13Å; D53-R59 IonicContact OD2-NH2 3.6Å; G57-R59 VanDerWaalsContact C-N 3.34Å
60	S	61.2	Low	63.9	Low	100 Å²	100	92.9 Å²	92.9	70%	0.699	46%	0.462	S	S	*	.			trans	-70.2	139.4	167.7	60.8	0	0	0	0	108.7	Y50 N62	Y50-S60 PolarHBondContact OH-O 3.1Å; S60-N62 PolarHBondContact O-N 2.83Å
61	M	60.1	Low	63.4	Low	138 Å²	138	96 Å²	96	68%	0.68	48%	0.478	S	S	*	.			trans	-72.3	60.1	-176	-154.5	166.3	179.8	0	0	111.1	Y50 T54 R63	Y50-M61 WeakPolarHBondContact OH-CA 3.5Å; T54-M61 HydrophobicContact CG2-CB 3.9Å; T54-M61 HydrophobicContact CG2-CG 4.01Å; T54-M61 HydrophobicContact CG2-SD 4.05Å; M61-R63 PolarHBondContact O-N 3.4Å
62	N	63.5	Low	62.5	Low	77 Å²	77	95.6 Å²	95.6	41%	0.412	48%	0.476	S	S	.	.			trans	-81.9	107.7	176	-173.1	-2.8	0	0	0	109.4	Y50 S60 E64 A65	Y50-N62 PolarHBondContact OH-N 3.48Å; S60-N62 PolarHBondContact O-N 2.83Å; N62-E64 PolarHBondContact O-N 2.94Å; N62-E64 PolarHBondContact OD1-N 3.43Å; N62-E64 VanDerWaalsContact OD1-N 3.16Å; N62-A65 HydrophobicContact CB-CB 4.04Å; N62-A65 PolarHBondContact O-N 2.92Å
63	R	58.6	Low	61.5	Low	170 Å²	170	93 Å²	93	64%	0.642	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-59.6	-33	-179.8	-96.5	177.4	175.4	-178.7	-0.8	113.9	M61 A65 F66 Y69	M61-R63 PolarHBondContact O-N 3.4Å; R63-A65 VanDerWaalsContact C-N 3.32Å; R63-F66 VanDerWaalsContact CA-CD2 3.47Å; R63-F66 HydrophobicContact CB-CD2 4.33Å; R63-F66 HydrophobicContact CB-CE2 4.18Å; R63-F66 HydrophobicContact CG-CD2 4.27Å; R63-F66 HydrophobicContact CG-CE2 3.81Å; R63-F66 WeakPolarHBondContact O-CB 3.41Å; R63-F66 WeakPolarHBondContact O-CD2 3.46Å; R63-F66 WeakPolarHBondContact O-CG 3.11Å; R63-Y69 HydrophobicContact CB-CE2 4.48Å; R63-Y69 WeakPolarHBondContact O-CB 3.23Å; R63-Y69 WeakPolarHBondContact O-CD1 3.23Å
64	E	58.1	Low	60.5	Low	151 Å²	151	99 Å²	99	71%	0.706	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-80.2	-18.6	-176.2	-62.4	176.7	-178.6	0	0	112.5	N62 F66	N62-E64 PolarHBondContact O-N 2.94Å; N62-E64 PolarHBondContact OD1-N 3.43Å; N62-E64 VanDerWaalsContact OD1-N 3.16Å; E64-F66 PolarHBondContact O-N 3.46Å
65	A	58.7	Low	59.8	Low	65 Å²	65	101.2 Å²	101.2	54%	0.537	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-77.1	-0.4	178	0	0	0	0	0	113.2	N62 R63 P67	N62-A65 HydrophobicContact CB-CB 4.04Å; N62-A65 PolarHBondContact O-N 2.92Å; R63-A65 VanDerWaalsContact C-N 3.32Å; A65-P67 WeakPolarHBondContact O-CD 3.49Å
66	F	56.6	Low	58.6	Low	20 Å²	20	99.7 Å²	99.7	9%	0.088	50%	0.498	C	S	.	.			trans	-83.7	118.9	-176.7	-67.7	-40.5	0	0	0	112	Y50 R63 E64 W68 Y69	Y50-F66 HydrophobicContact CD1-CD1 4.41Å; Y50-F66 AromaticContact CD1-CE1 3.3Å; Y50-F66 HydrophobicContact CD1-CE1 3.3Å; Y50-F66 AromaticContact CD1-CZ 3.73Å; Y50-F66 HydrophobicContact CD1-CZ 3.73Å; Y50-F66 HydrophobicContact CD2-CD1 4.31Å; Y50-F66 AromaticContact CD2-CE1 3.72Å; Y50-F66 HydrophobicContact CD2-CE1 3.72Å; Y50-F66 HydrophobicContact CE1-CD1 4.35Å; Y50-F66 AromaticContact CE1-CE1 3.08Å; Y50-F66 HydrophobicContact CE1-CE1 3.08Å; Y50-F66 AromaticContact CE1-CZ 3.23Å; Y50-F66 HydrophobicContact CE1-CZ 3.23Å; Y50-F66 HydrophobicContact CE2-CD1 4.2Å; Y50-F66 AromaticContact CE2-CE1 3.48Å; Y50-F66 HydrophobicContact CE2-CE1 3.48Å; Y50-F66 VanDerWaalsContact CE2-CE1 3.48Å; Y50-F66 HydrophobicContact CE2-CZ 4.35Å; Y50-F66 HydrophobicContact CG-CD1 4.38Å; Y50-F66 AromaticContact CG-CE1 3.61Å; Y50-F66 HydrophobicContact CG-CE1 3.61Å; Y50-F66 HydrophobicContact CG-CZ 4.47Å; Y50-F66 AromaticContact CZ-CE1 3.13Å; Y50-F66 AromaticContact CZ-CZ 3.56Å; R63-F66 VanDerWaalsContact CA-CD2 3.47Å; R63-F66 HydrophobicContact CB-CD2 4.33Å; R63-F66 HydrophobicContact CB-CE2 4.18Å; R63-F66 HydrophobicContact CG-CD2 4.27Å; R63-F66 HydrophobicContact CG-CE2 3.81Å; R63-F66 WeakPolarHBondContact O-CB 3.41Å; R63-F66 WeakPolarHBondContact O-CD2 3.46Å; R63-F66 WeakPolarHBondContact O-CG 3.11Å; E64-F66 PolarHBondContact O-N 3.46Å; F66-W68 HydrophobicContact CB-CD2 4.14Å; F66-W68 HydrophobicContact CB-CG 4.41Å; F66-W68 HydrophobicContact CB-CZ2 4.14Å; F66-W68 AromaticContact CD1-CE2 3.68Å; F66-W68 AromaticContact CD1-CH2 3.6Å; F66-W68 HydrophobicContact CD1-CH2 3.6Å; F66-W68 AromaticContact CD1-CZ2 3.13Å; F66-W68 HydrophobicContact CD1-CZ2 3.13Å; F66-W68 HydrophobicContact CD1-CZ3 4.48Å; F66-W68 HydrophobicContact CD2-CZ2 4.46Å; F66-W68 HydrophobicContact CE1-CH2 4.07Å; F66-W68 AromaticContact CE1-CZ2 3.54Å; F66-W68 HydrophobicContact CE1-CZ2 3.54Å; F66-W68 AromaticContact CG-CE2 3.74Å; F66-W68 HydrophobicContact CG-CH2 4.43Å; F66-W68 AromaticContact CG-CZ2 3.7Å; F66-W68 HydrophobicContact CG-CZ2 3.7Å; F66-W68 AromaticContact CG-NE1 3.78Å; F66-W68 HydrophobicContact CZ-CZ2 4.41Å; F66-W68 PolarHBondContact O-N 3.09Å; F66-W68 VanDerWaalsContact O-N 3.13Å; F66-Y69 PolarHBondContact O-N 3.5Å
67	P	57.2	Low	57.3	Low	96 Å²	96	103 Å²	103	62%	0.623	51%	0.505	S	S	*	.	H	α-helix	trans	-58.2	-28.7	173.2	-23.3	33.5	0	0	0	113.1	A65	A65-P67 WeakPolarHBondContact O-CD 3.49Å
68	W	58.5	Low	55.9	Low	36 Å²	36	106.5 Å²	106.5	14%	0.136	51%	0.508	C	S	.	.	H	α-helix	trans	-86.3	-23	176.9	59.1	83.6	0	0	0	113.8	M46 K47 Y50 F66 N70 H71 D72	M46-W68 HydrophobicContact CB-CE3 4.01Å; M46-W68 HydrophobicContact CB-CZ3 3.81Å; K47-W68 HydrophobicContact CB-CZ2 4.35Å; Y50-W68 HydrophobicContact CD2-CH2 4.33Å; Y50-W68 AromaticContact CG-CH2 3.98Å; Y50-W68 HydrophobicContact CG-CH2 3.98Å; Y50-W68 HydrophobicContact CG-CZ2 4.29Å; F66-W68 HydrophobicContact CB-CD2 4.14Å; F66-W68 HydrophobicContact CB-CG 4.41Å; F66-W68 HydrophobicContact CB-CZ2 4.14Å; F66-W68 AromaticContact CD1-CE2 3.68Å; F66-W68 AromaticContact CD1-CH2 3.6Å; F66-W68 HydrophobicContact CD1-CH2 3.6Å; F66-W68 AromaticContact CD1-CZ2 3.13Å; F66-W68 HydrophobicContact CD1-CZ2 3.13Å; F66-W68 HydrophobicContact CD1-CZ3 4.48Å; F66-W68 HydrophobicContact CD2-CZ2 4.46Å; F66-W68 HydrophobicContact CE1-CH2 4.07Å; F66-W68 AromaticContact CE1-CZ2 3.54Å; F66-W68 HydrophobicContact CE1-CZ2 3.54Å; F66-W68 AromaticContact CG-CE2 3.74Å; F66-W68 HydrophobicContact CG-CH2 4.43Å; F66-W68 AromaticContact CG-CZ2 3.7Å; F66-W68 HydrophobicContact CG-CZ2 3.7Å; F66-W68 AromaticContact CG-NE1 3.78Å; F66-W68 HydrophobicContact CZ-CZ2 4.41Å; F66-W68 PolarHBondContact O-N 3.09Å; F66-W68 VanDerWaalsContact O-N 3.13Å; W68-N70 PolarHBondContact O-N 2.92Å; W68-H71 PolarHBondContact O-N 3.04Å; W68-H71 VanDerWaalsContact O-N 3.1Å; W68-D72 WeakPolarHBondContact O-CB 3.41Å; W68-D72 PolarHBondContact O-N 3.27Å
69	Y	58.1	Low	54.8	Low	74 Å²	74	103.4 Å²	103.4	29%	0.29	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-43.2	-177.9	-178.1	-101.9	0	0	0	111.2	R63 F66 H71 D72 L73	R63-Y69 HydrophobicContact CB-CE2 4.48Å; R63-Y69 WeakPolarHBondContact O-CB 3.23Å; R63-Y69 WeakPolarHBondContact O-CD1 3.23Å; F66-Y69 PolarHBondContact O-N 3.5Å; Y69-H71 VanDerWaalsContact C-N 3.27Å; Y69-H71 PolarHBondContact O-N 3.02Å; Y69-D72 PolarHBondContact O-N 3.16Å; Y69-L73 VanDerWaalsContact O-CB 3.24Å; Y69-L73 WeakPolarHBondContact O-CB 2.88Å; Y69-L73 PolarHBondContact O-N 3.04Å
70	N	55.6	Low	54.4	Low	81 Å²	81	104.4 Å²	104.4	43%	0.433	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-40.3	172.9	-68.6	-14.8	0	0	0	111	W68 L73 Y74	W68-N70 PolarHBondContact O-N 2.92Å; N70-L73 PolarHBondContact O-N 3.35Å; N70-Y74 HydrophobicContact CB-CD2 4.4Å; N70-Y74 WeakPolarHBondContact O-CB 2.93Å; N70-Y74 WeakPolarHBondContact O-CD2 3.41Å; N70-Y74 PolarHBondContact O-N 2.66Å
71	H	54.6	Low	53.6	Low	89 Å²	89	106.8 Å²	106.8	41%	0.412	52%	0.519	S	S	.	.	H	α-helix	trans	-69.7	-38.3	-176.9	-143	-41	0	0	0	112.8	R43 W68 Y69 N75	R43-H71 PolarHBondContact NH2-CE1 2.93Å; R43-H71 PolarHBondContact NH2-NE2 3.44Å; W68-H71 PolarHBondContact O-N 3.04Å; W68-H71 VanDerWaalsContact O-N 3.1Å; Y69-H71 VanDerWaalsContact C-N 3.27Å; Y69-H71 PolarHBondContact O-N 3.02Å; H71-N75 VanDerWaalsContact O-CB 3.23Å; H71-N75 WeakPolarHBondContact O-CB 3.48Å; H71-N75 PolarHBondContact O-N 3.21Å; H71-N75 VanDerWaalsContact O-N 3.09Å
72	D	55.3	Low	52.7	Low	60 Å²	60	106.7 Å²	106.7	32%	0.321	52%	0.515	S	S	.	.	H	α-helix	trans	-71	-42.4	175	-68.5	-15.7	0	0	0	110	W68 Y69 N75 Y76	W68-D72 WeakPolarHBondContact O-CB 3.41Å; W68-D72 PolarHBondContact O-N 3.27Å; Y69-D72 PolarHBondContact O-N 3.16Å; D72-N75 PolarHBondContact O-N 3.01Å; D72-Y76 VanDerWaalsContact O-CB 3.23Å; D72-Y76 WeakPolarHBondContact O-CB 3.39Å; D72-Y76 PolarHBondContact O-N 2.75Å
73	L	51.5	Low	51.4	Low	77 Å²	77	115 Å²	115	40%	0.403	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-46.3	178.7	-166.1	76.2	0	0	0	112.1	Y69 N70 Y77	Y69-L73 VanDerWaalsContact O-CB 3.24Å; Y69-L73 WeakPolarHBondContact O-CB 2.88Å; Y69-L73 PolarHBondContact O-N 3.04Å; N70-L73 PolarHBondContact O-N 3.35Å; L73-Y77 WeakPolarHBondContact O-CD2 3.24Å
74	Y	51.4	Low	50.4	Low	163 Å²	163	108.3 Å²	108.3	64%	0.639	53%	0.525	S	S	*	.	H	α-helix	trans	-73.9	-32.3	179.7	-77.1	-67.1	0	0	0	113.2	N70 N78	N70-Y74 HydrophobicContact CB-CD2 4.4Å; N70-Y74 WeakPolarHBondContact O-CB 2.93Å; N70-Y74 WeakPolarHBondContact O-CD2 3.41Å; N70-Y74 PolarHBondContact O-N 2.66Å; Y74-N78 PolarHBondContact O-ND2 3.16Å
75	N	49.1	Very low	49.4	Very low	78 Å²	78	110.5 Å²	110.5	42%	0.417	53%	0.529	S	S	.	.	H	α-helix	trans	-75.7	-29.2	175.9	-79.5	4.5	0	0	0	112.4	H71 D72 Y77 N78	H71-N75 VanDerWaalsContact O-CB 3.23Å; H71-N75 WeakPolarHBondContact O-CB 3.48Å; H71-N75 PolarHBondContact O-N 3.21Å; H71-N75 VanDerWaalsContact O-N 3.09Å; D72-N75 PolarHBondContact O-N 3.01Å; N75-Y77 PolarHBondContact O-N 3.24Å; N75-N78 PolarHBondContact O-N 3.24Å; N75-N78 VanDerWaalsContact O-N 3.16Å
76	Y	48.2	Very low	48.4	Very low	154 Å²	154	116 Å²	116	60%	0.604	54%	0.536	S	S	*	.	H	α-helix	trans	-61.9	-29.5	179.2	-164.7	-95.5	0	0	0	112.8	D72	D72-Y76 VanDerWaalsContact O-CB 3.23Å; D72-Y76 WeakPolarHBondContact O-CB 3.39Å; D72-Y76 PolarHBondContact O-N 2.75Å
77	Y	45.7	Very low	47.4	Very low	179 Å²	179	120 Å²	120	70%	0.702	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-13.8	178	-79.8	-75.3	0	0	0	114.8	L73 N75	L73-Y77 WeakPolarHBondContact O-CD2 3.24Å; N75-Y77 PolarHBondContact O-N 3.24Å
78	N	44.3	Very low	46.4	Very low	137 Å²	137	118.4 Å²	118.4	73%	0.733	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-3	-175.2	-75.7	-30.1	0	0	0	113.6	Y74 N75	Y74-N78 PolarHBondContact O-ND2 3.16Å; N75-N78 PolarHBondContact O-N 3.24Å; N75-N78 VanDerWaalsContact O-N 3.16Å
79	D	45.1	Very low	45.4	Very low	86 Å²	86	127 Å²	127	46%	0.46	60%	0.598	S	S	.	*			trans	-118.7	77.9	-177.6	-148.3	-10.7	0	0	0	110.3	N81 F82	D79-N81 PolarHBondContact O-N 3.31Å; D79-F82 HydrophobicContact CB-CB 4.16Å; D79-F82 PolarHBondContact O-N 2.89Å
80	D	50.7	Low	44.2	Very low	162 Å²	162	131 Å²	131	87%	0.866	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	-13.3	175	-70.6	-28	0	0	0	113.1
81	N	44.4	Very low	43.2	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-3.5	-179.6	-82.3	-26.9	0	0	0	115	D79 R83	D79-N81 PolarHBondContact O-N 3.31Å; N81-R83 VanDerWaalsContact C-N 3.34Å; N81-R83 PolarHBondContact O-N 3.45Å
82	F	41.4	Very low	42.6	Very low	135 Å²	135	140.3 Å²	140.3	59%	0.592	67%	0.673	S	S	*	*			trans	-90.1	71.3	-175.5	-145.5	-93.9	0	0	0	113.2	D79 G84	D79-F82 HydrophobicContact CB-CB 4.16Å; D79-F82 PolarHBondContact O-N 2.89Å; F82-G84 WeakPolarHBondContact CE1-O 3.35Å; F82-G84 PolarHBondContact O-N 3.18Å
83	R	35.8	Very low	41.9	Very low	251 Å²	251	144.5 Å²	144.5	95%	0.947	69%	0.692	S	S	*	*			trans	-68.2	90.1	161.6	-168.2	179.8	-173.3	-161.7	3	108.6	N81	N81-R83 VanDerWaalsContact C-N 3.34Å; N81-R83 PolarHBondContact O-N 3.45Å
84	G	37.2	Very low	41.4	Very low	31 Å²	31	148.2 Å²	148.2	32%	0.32	71%	0.708	S	S	.	*			trans	170.4	123.5	170.7	0	0	0	0	0	117.5	F82	F82-G84 WeakPolarHBondContact CE1-O 3.35Å; F82-G84 PolarHBondContact O-N 3.18Å
85	Y	36.9	Very low	40.8	Very low	197 Å²	197	147.4 Å²	147.4	77%	0.773	71%	0.712	S	S	*	*			trans	81.2	52.3	147.3	-48.5	-77.6	0	0	0	118.6
86	Y	38.8	Very low	40.3	Very low	179 Å²	179	151.7 Å²	151.7	70%	0.702	73%	0.73	S	S	*	*			trans	-99.8	73	130.5	-87.5	-89.8	0	0	0	108.2	G88	Y86-G88 VanDerWaalsContact C-N 3.32Å; Y86-G88 PolarHBondContact O-N 3.06Å
87	T	36	Very low	39.8	Very low	105 Å²	105	151.5 Å²	151.5	64%	0.644	74%	0.739	S	S	*	*			trans	-65.7	105.4	154.6	41.8	0	0	0	0	105.3	Y89	T87-Y89 PolarHBondContact O-N 3.37Å
88	G	36.6	Very low	39.4	Very low	63 Å²	63	149.6 Å²	149.6	65%	0.649	74%	0.741	S	S	*	*			trans	-46.5	124.3	168.1	0	0	0	0	0	108	Y86 D90	Y86-G88 VanDerWaalsContact C-N 3.32Å; Y86-G88 PolarHBondContact O-N 3.06Å; G88-D90 PolarHBondContact O-N 2.94Å
89	Y	36.2	Very low	39	Very low	216 Å²	216	150.5 Å²	150.5	85%	0.847	74%	0.742	S	S	*	*			trans	-66.5	94	159.2	-77.4	-90.9	0	0	0	104.9	T87 D91	T87-Y89 PolarHBondContact O-N 3.37Å; Y89-D91 VanDerWaalsContact C-N 3.33Å; Y89-D91 PolarHBondContact O-N 3.25Å
90	D	32.7	Very low	38.5	Very low	159 Å²	159	155.9 Å²	155.9	85%	0.85	77%	0.765	S	S	*	*			trans	-67.2	98.4	155.4	-86.9	-25.7	0	0	0	106.1	G88	G88-D90 PolarHBondContact O-N 2.94Å
91	D	34.9	Very low	37.4	Very low	223 Å²	223	155.4 Å²	155.4	100%	1.193	76%	0.756	S	S	*	*			trans	-145.2	0	153.2	-87.9	-25.2	0	0	0	106	Y89	Y89-D91 VanDerWaalsContact C-N 3.33Å; Y89-D91 PolarHBondContact O-N 3.25Å

Retrieved 91 of 91 residues in 36.5 ms (Link to these results)

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