A0A5K4F9E5_SCHMA Loading...

B box-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9E5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 95 aa.

						>A0A5K4F9E5_SCHMA|A0A5K4F9E5
MCRWGCQANDTTYMCKWCGTRFCKVCLVGDFQGKMKAEDHCFVCNQLRCIGKRVEYVPLTKKLETKPLKKGGAKKGKKKTGKGIKKTGKGKKKKK
					

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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	66.5	Low	79.5	Confident	127 Å²	127	74.2 Å²	74.2	63%	0.626	38%	0.384	S	S	*	.				0	143.4	0	-154.7	167.3	-177.4	0	0	106.8	G5 C6 N9	M1-G5 WeakPolarHBondContact CE-O 3.48Å; M1-C6 CarbonylContact C-O 3.42Å; M1-C6 WeakPolarHBondContact CA-O 3.41Å; M1-C6 WeakPolarHBondContact CG-O 3.11Å; M1-N9 PolarHBondContact N-OD1 3.02Å
2	C	76.4	Confident	80.4	Confident	6 Å²	6	68.8 Å²	68.8	4%	0.041	36%	0.357	C	S	.	.			trans	-65.9	160.5	171.4	91.4	0	0	0	0	109.8	W4 G5 C6 A8 C23 C26	C2-W4 PolarHBondContact O-N 3.28Å; C2-W4 PolarHBondContact SG-N 3.27Å; C2-W4 VanDerWaalsContact SG-N 3.42Å; C2-G5 PolarHBondContact O-N 2.73Å; C2-C6 HydrophobicContact CB-CB 4.02Å; C2-C6 PolarHBondContact N-O 3.21Å; C2-C6 WeakPolarHBondContact SG-CB 3.36Å; C2-C6 PolarHBondContact SG-N 3.23Å; C2-A8 PolarHBondContact N-O 3.45Å; C2-A8 VanDerWaalsContact N-O 3.11Å; C2-C23 HydrophobicContact CB-CB 4.2Å; C2-C26 VanDerWaalsContact SG-SG 3.68Å
3	R	81.7	Confident	81.3	Confident	139 Å²	139	66.5 Å²	66.5	53%	0.525	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27	-177.5	-176.2	175.7	174.5	-162.5	-5.1	113.8	D30 Y56	R3-D30 IonicContact NH1-OD2 3.6Å; R3-Y56 HydrophobicContact CB-CD2 4.45Å
4	W	85.5	Confident	82.1	Confident	69 Å²	69	65.9 Å²	65.9	26%	0.261	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	12.6	-177.3	-55.2	-85.8	0	0	0	114.2	C2 T12 R21 C23 V28 G29 D30	C2-W4 PolarHBondContact O-N 3.28Å; C2-W4 PolarHBondContact SG-N 3.27Å; C2-W4 VanDerWaalsContact SG-N 3.42Å; W4-T12 HydrophobicContact CH2-CG2 4.1Å; W4-T12 HydrophobicContact CZ3-CG2 3.99Å; W4-R21 HydrophobicContact CH2-CB 3.93Å; W4-R21 WeakPolarHBondContact CH2-O 3.43Å; W4-R21 HydrophobicContact CZ2-CB 4.42Å; W4-C23 HydrophobicContact CE3-CB 3.94Å; W4-C23 HydrophobicContact CZ3-CB 4.03Å; W4-V28 HydrophobicContact CB-CB 4.03Å; W4-V28 HydrophobicContact CB-CG1 3.64Å; W4-V28 HydrophobicContact CD2-CG1 4.31Å; W4-V28 VanDerWaalsContact CE3-O 3.31Å; W4-V28 HydrophobicContact CG-CB 4.25Å; W4-V28 HydrophobicContact CG-CG1 3.63Å; W4-G29 VanDerWaalsContact CE2-CA 3.47Å; W4-G29 VanDerWaalsContact NE1-C 3.34Å; W4-G29 PolarHBondContact NE1-O 2.89Å; W4-D30 HydrophobicContact CZ2-CB 4.47Å
5	G	82.2	Confident	82.9	Confident	43 Å²	43	61.7 Å²	61.7	44%	0.443	32%	0.316	S	S	.	.	S	Bend	trans	94.9	18.6	171.1	0	0	0	0	0	116.1	M1 C2	M1-G5 WeakPolarHBondContact CE-O 3.48Å; C2-G5 PolarHBondContact O-N 2.73Å
6	C	82.8	Confident	83.7	Confident	24 Å²	24	67.5 Å²	67.5	16%	0.162	34%	0.338	C	S	.	.			trans	-81.3	138.8	169.6	-171.4	0	0	0	0	110.8	M1 C2 A8 C26	M1-C6 CarbonylContact C-O 3.42Å; M1-C6 WeakPolarHBondContact CA-O 3.41Å; M1-C6 WeakPolarHBondContact CG-O 3.11Å; C2-C6 HydrophobicContact CB-CB 4.02Å; C2-C6 PolarHBondContact N-O 3.21Å; C2-C6 WeakPolarHBondContact SG-CB 3.36Å; C2-C6 PolarHBondContact SG-N 3.23Å; C6-A8 PolarHBondContact O-N 3.41Å; C6-C26 HydrophobicContact CB-CB 3.81Å
7	Q	82.2	Confident	84.3	Confident	179 Å²	179	72.6 Å²	72.6	84%	0.836	35%	0.353	S	S	*	.	S	Bend	trans	-59	-28.5	176.7	-72.6	179.7	-23.7	0	0	113.1	N9	Q7-N9 PolarHBondContact O-N 3.24Å; Q7-N9 PolarHBondContact O-OD1 2.88Å
8	A	80.8	Confident	84.9	Confident	30 Å²	30	71.4 Å²	71.4	25%	0.248	35%	0.352	C	S	.	.			trans	-63.6	123.8	178.5	0	0	0	0	0	111.5	C2 C6 T11 V25	C2-A8 PolarHBondContact N-O 3.45Å; C2-A8 VanDerWaalsContact N-O 3.11Å; C6-A8 PolarHBondContact O-N 3.41Å; A8-T11 HydrophobicContact CB-CG2 4.02Å; A8-V25 HydrophobicContact CB-CB 4.19Å; A8-V25 HydrophobicContact CB-CG1 4.22Å; A8-V25 HydrophobicContact CB-CG2 3.99Å
9	N	75	Confident	85.2	Confident	104 Å²	104	69.3 Å²	69.3	56%	0.556	35%	0.351	S	S	*	.	S	Bend	trans	-77.4	150.7	171.6	-61.3	-21.2	0	0	0	110.1	M1 Q7 T11	M1-N9 PolarHBondContact N-OD1 3.02Å; Q7-N9 PolarHBondContact O-N 3.24Å; Q7-N9 PolarHBondContact O-OD1 2.88Å; N9-T11 WeakPolarHBondContact O-CG2 3.09Å; N9-T11 PolarHBondContact O-N 3.42Å
10	D	74.9	Confident	85.6	Confident	71 Å²	71	67 Å²	67	38%	0.38	34%	0.34	S	S	.	.	S	Bend	trans	59	25.1	164.4	-48.6	-53.9	0	0	0	117.2	R53	D10-R53 PolarHBondContact O-NH1 3.04Å
11	T	86.6	Confident	86	Confident	24 Å²	24	68.8 Å²	68.8	15%	0.147	34%	0.343	C	S	.	.			trans	-100.9	17.5	179.9	48.6	0	0	0	0	113.3	A8 N9 Y13 C23 K24 V25	A8-T11 HydrophobicContact CB-CG2 4.02Å; N9-T11 WeakPolarHBondContact O-CG2 3.09Å; N9-T11 PolarHBondContact O-N 3.42Å; T11-Y13 WeakPolarHBondContact O-CD2 3.26Å; T11-C23 WeakPolarHBondContact O-CA 3.11Å; T11-C23 PolarHBondContact OG1-SG 3.16Å; T11-K24 PolarHBondContact O-N 3.47Å; T11-V25 HydrophobicContact CG2-CG2 3.54Å
12	T	90.2	Very high	87.2	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.4	178.1	-51.8	0	0	0	0	110.1	W4 R21 F22 V54	W4-T12 HydrophobicContact CH2-CG2 4.1Å; W4-T12 HydrophobicContact CZ3-CG2 3.99Å; T12-R21 HydrophobicContact CG2-CB 4.42Å; T12-F22 CarbonylContact C-O 3.59Å; T12-F22 WeakPolarHBondContact CA-O 3.4Å; T12-V54 PolarHBondContact O-N 2.85Å
13	Y	92.7	Very high	87.9	Confident	39 Å²	39	62.4 Å²	62.4	15%	0.153	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158.1	177.4	-71.2	-97	0	0	0	110.2	T11 R21 F22 K24 I50 R53	T11-Y13 WeakPolarHBondContact O-CD2 3.26Å; Y13-R21 CarbonylContact O-C 3.34Å; Y13-R21 WeakPolarHBondContact O-CA 3.21Å; Y13-F22 PolarHBondContact N-O 3.17Å; Y13-F22 PolarHBondContact O-N 2.86Å; Y13-K24 HydrophobicContact CD2-CB 4.06Å; Y13-K24 HydrophobicContact CE2-CB 4.24Å; Y13-I50 HydrophobicContact CD1-CG2 3.72Å; Y13-I50 HydrophobicContact CE1-CG2 4.17Å; Y13-I50 HydrophobicContact CG-CG2 4.15Å; Y13-R53 HydrophobicContact CD1-CB 3.99Å; Y13-R53 HydrophobicContact CE1-CB 3.63Å; Y13-R53 HydrophobicContact CE1-CG 4.16Å; Y13-R53 PolarHBondContact OH-NE 3.31Å; Y13-R53 VanDerWaalsContact OH-NE 3.1Å; Y13-R53 PolarHBondContact OH-NH2 3.11Å
14	M	92.2	Very high	88.3	Confident	58 Å²	58	59 Å²	59	29%	0.286	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	139.9	168.7	-80.3	172.3	84.8	0	0	110.3	K16 G19 R21 G51 K52 V54	M14-K16 PolarHBondContact O-N 3.33Å; M14-G19 WeakPolarHBondContact CE-O 2.93Å; M14-R21 HydrophobicContact CG-CG 3.53Å; M14-R21 HydrophobicContact SD-CG 4.27Å; M14-G51 WeakPolarHBondContact O-CA 3.17Å; M14-G51 PolarHBondContact O-N 2.96Å; M14-K52 PolarHBondContact N-O 3Å; M14-V54 HydrophobicContact CB-CG2 4.22Å; M14-V54 HydrophobicContact CG-CG2 3.4Å; M14-V54 HydrophobicContact SD-CG2 3.38Å; M14-V54 WeakPolarHBondContact SD-CG2 2.93Å
15	C	94.2	Very high	88.6	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.02	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.2	167.5	179.3	0	0	0	0	109.7	W17 C18 G19 T20 F22 C41 C44 C49	C15-W17 PolarHBondContact O-N 2.88Å; C15-W17 PolarHBondContact SG-N 2.99Å; C15-W17 VanDerWaalsContact SG-N 3.41Å; C15-C18 WeakPolarHBondContact CB-SG 3.44Å; C15-C18 PolarHBondContact SG-SG 3.29Å; C15-G19 WeakPolarHBondContact O-CA 3.44Å; C15-G19 PolarHBondContact O-N 3.07Å; C15-T20 PolarHBondContact N-O 2.99Å; C15-F22 HydrophobicContact CB-CE1 4.13Å; C15-C41 VanDerWaalsContact SG-SG 3.66Å; C15-C44 VanDerWaalsContact SG-SG 3.66Å; C15-C49 CarbonylContact C-O 3.52Å; C15-C49 VanDerWaalsContact CA-O 3.26Å; C15-C49 WeakPolarHBondContact CA-O 3.02Å
16	K	95.1	Very high	89	Confident	155 Å²	155	59.1 Å²	59.1	67%	0.674	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28	176.8	-175.1	178.2	176.4	-177.9	0	112.8	M14 C49	M14-K16 PolarHBondContact O-N 3.33Å; K16-C49 PolarHBondContact N-O 3.39Å
17	W	94.6	Very high	89.4	Confident	154 Å²	154	59.5 Å²	59.5	58%	0.583	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-57.3	-171.4	-56	106.1	0	0	0	113	C15 Q46	C15-W17 PolarHBondContact O-N 2.88Å; C15-W17 PolarHBondContact SG-N 2.99Å; C15-W17 VanDerWaalsContact SG-N 3.41Å; W17-Q46 VanDerWaalsContact CD1-CB 3.5Å; W17-Q46 HydrophobicContact CD2-CG 4.47Å; W17-Q46 HydrophobicContact CG-CB 4.14Å; W17-Q46 HydrophobicContact CG-CG 4.07Å
18	C	94.4	Very high	89.9	Confident	51 Å²	51	52.6 Å²	52.6	35%	0.345	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-9.1	-178.1	62.1	0	0	0	0	113.9	C15 T20 C41 C44	C15-C18 WeakPolarHBondContact CB-SG 3.44Å; C15-C18 PolarHBondContact SG-SG 3.29Å; C18-T20 PolarHBondContact O-N 3.25Å; C18-T20 VanDerWaalsContact O-N 3.17Å; C18-T20 VanDerWaalsContact SG-CB 3.59Å; C18-T20 PolarHBondContact SG-OG1 3.36Å; C18-C41 PolarHBondContact SG-SG 2.97Å; C18-C44 HydrophobicContact CB-CB 4.12Å
19	G	91.8	Very high	90.4	Very high	31 Å²	31	51.3 Å²	51.3	32%	0.32	26%	0.26	S	S	.	.			trans	71.9	-0	-176.2	0	0	0	0	0	114.7	M14 C15 R21	M14-G19 WeakPolarHBondContact CE-O 2.93Å; C15-G19 WeakPolarHBondContact O-CA 3.44Å; C15-G19 PolarHBondContact O-N 3.07Å; G19-R21 PolarHBondContact O-N 3.41Å
20	T	93.1	Very high	91.1	Very high	23 Å²	23	51 Å²	51	14%	0.141	26%	0.258	C	S	.	.			trans	-61.3	134	178.3	-52.1	0	0	0	0	110.5	C15 C18 D30 F31 V43	C15-T20 PolarHBondContact N-O 2.99Å; C18-T20 PolarHBondContact O-N 3.25Å; C18-T20 VanDerWaalsContact O-N 3.17Å; C18-T20 VanDerWaalsContact SG-CB 3.59Å; C18-T20 PolarHBondContact SG-OG1 3.36Å; T20-D30 HydrophobicContact CG2-CB 4Å; T20-F31 HydrophobicContact CG2-CD1 3.82Å; T20-F31 HydrophobicContact CG2-CE1 4.34Å; T20-V43 HydrophobicContact CG2-CG2 3.94Å
21	R	92.8	Very high	91.9	Very high	105 Å²	105	49.1 Å²	49.1	40%	0.396	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.2	177.9	-66.2	177.4	-177.7	-166.6	2.5	110	W4 T12 Y13 M14 G19 G29 D30	W4-R21 HydrophobicContact CH2-CB 3.93Å; W4-R21 WeakPolarHBondContact CH2-O 3.43Å; W4-R21 HydrophobicContact CZ2-CB 4.42Å; T12-R21 HydrophobicContact CG2-CB 4.42Å; Y13-R21 CarbonylContact O-C 3.34Å; Y13-R21 WeakPolarHBondContact O-CA 3.21Å; M14-R21 HydrophobicContact CG-CG 3.53Å; M14-R21 HydrophobicContact SD-CG 4.27Å; G19-R21 PolarHBondContact O-N 3.41Å; R21-G29 CarbonylContact O-C 3.53Å; R21-G29 WeakPolarHBondContact O-CA 3.21Å; R21-D30 PolarHBondContact O-N 3.33Å
22	F	91.9	Very high	92.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158.9	175.5	63.8	-89.1	0	0	0	111.3	T12 Y13 C15 F31 M35 I50	T12-F22 CarbonylContact C-O 3.59Å; T12-F22 WeakPolarHBondContact CA-O 3.4Å; Y13-F22 PolarHBondContact N-O 3.17Å; Y13-F22 PolarHBondContact O-N 2.86Å; C15-F22 HydrophobicContact CB-CE1 4.13Å; F22-F31 HydrophobicContact CB-CE1 3.85Å; F22-F31 HydrophobicContact CB-CZ 4.07Å; F22-M35 HydrophobicContact CB-SD 3.67Å; F22-M35 HydrophobicContact CD1-CE 4.33Å; F22-M35 HydrophobicContact CD1-SD 4.12Å; F22-M35 HydrophobicContact CD2-CE 3.66Å; F22-M35 HydrophobicContact CD2-SD 3.41Å; F22-M35 WeakPolarHBondContact CD2-SD 3.38Å; F22-M35 HydrophobicContact CE1-CE 4.27Å; F22-M35 HydrophobicContact CE2-CE 3.59Å; F22-M35 HydrophobicContact CE2-SD 4.02Å; F22-M35 HydrophobicContact CG-CE 4.04Å; F22-M35 HydrophobicContact CG-SD 3.46Å; F22-M35 WeakPolarHBondContact CG-SD 3.49Å; F22-M35 HydrophobicContact CZ-CE 3.91Å; F22-I50 HydrophobicContact CZ-CG1 4.41Å
23	C	91.7	Very high	92.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.1	172.4	180	0	0	0	0	109.5	C2 W4 T11 V25 C26 L27 V28	C2-C23 HydrophobicContact CB-CB 4.2Å; W4-C23 HydrophobicContact CE3-CB 3.94Å; W4-C23 HydrophobicContact CZ3-CB 4.03Å; T11-C23 WeakPolarHBondContact O-CA 3.11Å; T11-C23 PolarHBondContact OG1-SG 3.16Å; C23-V25 VanDerWaalsContact C-N 3.28Å; C23-V25 PolarHBondContact O-N 3.11Å; C23-V25 PolarHBondContact SG-N 3.15Å; C23-C26 WeakPolarHBondContact CB-SG 3.27Å; C23-C26 PolarHBondContact SG-N 3.49Å; C23-C26 PolarHBondContact SG-SG 3.44Å; C23-L27 VanDerWaalsContact O-CA 3.25Å; C23-L27 WeakPolarHBondContact O-CA 3.41Å; C23-L27 PolarHBondContact O-N 3.47Å; C23-V28 PolarHBondContact N-O 2.84Å
24	K	90.1	Very high	92	Very high	67 Å²	67	63.6 Å²	63.6	29%	0.291	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-33.1	177.9	-162.8	-172.9	174.4	-175.6	0	111.8	T11 Y13 L27 E38 I50	T11-K24 PolarHBondContact O-N 3.47Å; Y13-K24 HydrophobicContact CD2-CB 4.06Å; Y13-K24 HydrophobicContact CE2-CB 4.24Å; K24-L27 WeakPolarHBondContact O-CD2 3.33Å; K24-E38 WeakPolarHBondContact CE-OE1 3.19Å; K24-E38 HydrophobicContact CG-CB 3.92Å; K24-E38 HydrophobicContact CG-CG 4.11Å; K24-E38 WeakPolarHBondContact CG-OE1 3.41Å; K24-E38 WeakPolarHBondContact O-CG 3.18Å; K24-I50 HydrophobicContact CD-CD1 4.12Å
25	V	90.8	Very high	92	Very high	82 Å²	82	61.1 Å²	61.1	50%	0.497	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-48.3	-174.5	178.8	0	0	0	0	112.9	A8 T11 C23	A8-V25 HydrophobicContact CB-CB 4.19Å; A8-V25 HydrophobicContact CB-CG1 4.22Å; A8-V25 HydrophobicContact CB-CG2 3.99Å; T11-V25 HydrophobicContact CG2-CG2 3.54Å; C23-V25 VanDerWaalsContact C-N 3.28Å; C23-V25 PolarHBondContact O-N 3.11Å; C23-V25 PolarHBondContact SG-N 3.15Å
26	C	91.1	Very high	91.9	Very high	32 Å²	32	70.1 Å²	70.1	22%	0.216	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-7.7	-178.7	66.6	0	0	0	0	113.9	C2 C6 C23 V28	C2-C26 VanDerWaalsContact SG-SG 3.68Å; C6-C26 HydrophobicContact CB-CB 3.81Å; C23-C26 WeakPolarHBondContact CB-SG 3.27Å; C23-C26 PolarHBondContact SG-N 3.49Å; C23-C26 PolarHBondContact SG-SG 3.44Å; C26-V28 HydrophobicContact CB-CG2 4.38Å; C26-V28 PolarHBondContact O-N 2.97Å
27	L	92.3	Very high	91.7	Very high	33 Å²	33	64.9 Å²	64.9	17%	0.173	34%	0.337	C	S	.	.			trans	59.7	12.9	-178.6	-59.6	-178.8	0	0	0	114.1	C23 K24 K34 M35 E38	C23-L27 VanDerWaalsContact O-CA 3.25Å; C23-L27 WeakPolarHBondContact O-CA 3.41Å; C23-L27 PolarHBondContact O-N 3.47Å; K24-L27 WeakPolarHBondContact O-CD2 3.33Å; L27-K34 HydrophobicContact CB-CB 4.41Å; L27-K34 CarbonylContact O-C 3.59Å; L27-K34 WeakPolarHBondContact O-CA 3.46Å; L27-M35 HydrophobicContact CB-CB 3.95Å; L27-M35 VanDerWaalsContact CD1-O 3.27Å; L27-M35 WeakPolarHBondContact CD1-O 3.34Å; L27-M35 HydrophobicContact CD2-CB 4.19Å; L27-M35 HydrophobicContact CG-CB 4.48Å; L27-M35 PolarHBondContact O-N 3.41Å; L27-E38 HydrophobicContact CD2-CB 4.31Å; L27-E38 HydrophobicContact CD2-CG 3.85Å
28	V	91.9	Very high	91.4	Very high	33 Å²	33	61.8 Å²	61.8	20%	0.2	33%	0.329	C	S	.	.			trans	-92.2	142.5	174.3	-175.5	0	0	0	0	108.8	W4 C23 C26 K34	W4-V28 HydrophobicContact CB-CB 4.03Å; W4-V28 HydrophobicContact CB-CG1 3.64Å; W4-V28 HydrophobicContact CD2-CG1 4.31Å; W4-V28 VanDerWaalsContact CE3-O 3.31Å; W4-V28 HydrophobicContact CG-CB 4.25Å; W4-V28 HydrophobicContact CG-CG1 3.63Å; C23-V28 PolarHBondContact N-O 2.84Å; C26-V28 HydrophobicContact CB-CG2 4.38Å; C26-V28 PolarHBondContact O-N 2.97Å; V28-K34 HydrophobicContact CG2-CD 4.47Å; V28-K34 HydrophobicContact CG2-CG 3.87Å
29	G	90.9	Very high	91.2	Very high	3 Å²	3	62.7 Å²	62.7	3%	0.031	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-148	-161.3	-179.4	0	0	0	0	0	113.7	W4 R21 F31	W4-G29 VanDerWaalsContact CE2-CA 3.47Å; W4-G29 VanDerWaalsContact NE1-C 3.34Å; W4-G29 PolarHBondContact NE1-O 2.89Å; R21-G29 CarbonylContact O-C 3.53Å; R21-G29 WeakPolarHBondContact O-CA 3.21Å; G29-F31 VanDerWaalsContact N-CZ 3.34Å; G29-F31 PolarHBondContact O-N 2.81Å
30	D	90.2	Very high	91.3	Very high	97 Å²	97	63.2 Å²	63.2	52%	0.519	33%	0.325	S	S	.	.	S	Bend	trans	-77	53.6	172.4	-141.9	-83.7	0	0	0	109.9	R3 W4 T20 R21	R3-D30 IonicContact NH1-OD2 3.6Å; W4-D30 HydrophobicContact CZ2-CB 4.47Å; T20-D30 HydrophobicContact CG2-CB 4Å; R21-D30 PolarHBondContact O-N 3.33Å
31	F	90.5	Very high	91.3	Very high	32 Å²	32	62.1 Å²	62.1	14%	0.14	32%	0.318	C	S	.	.	S	Bend	trans	-156.6	161.1	178	48.2	-100.8	0	0	0	109	T20 F22 G29 M35 F42 V43	T20-F31 HydrophobicContact CG2-CD1 3.82Å; T20-F31 HydrophobicContact CG2-CE1 4.34Å; F22-F31 HydrophobicContact CB-CE1 3.85Å; F22-F31 HydrophobicContact CB-CZ 4.07Å; G29-F31 VanDerWaalsContact N-CZ 3.34Å; G29-F31 PolarHBondContact O-N 2.81Å; F31-M35 HydrophobicContact CE1-CG 4.2Å; F31-M35 HydrophobicContact CE1-SD 4.08Å; F31-M35 HydrophobicContact CE2-CG 4.03Å; F31-M35 HydrophobicContact CZ-CG 3.46Å; F31-M35 VanDerWaalsContact CZ-CG 3.46Å; F31-M35 HydrophobicContact CZ-SD 3.64Å; F31-F42 HydrophobicContact CB-CD1 3.97Å; F31-F42 HydrophobicContact CB-CE1 4.5Å; F31-F42 HydrophobicContact CD1-CB 4.3Å; F31-F42 HydrophobicContact CD2-CB 4.06Å; F31-F42 AromaticContact CD2-CD1 3.78Å; F31-F42 HydrophobicContact CD2-CD1 3.78Å; F31-F42 HydrophobicContact CD2-CE1 4.46Å; F31-F42 AromaticContact CD2-CG 3.98Å; F31-F42 HydrophobicContact CD2-CG 3.98Å; F31-F42 HydrophobicContact CE1-CB 4.24Å; F31-F42 HydrophobicContact CE2-CB 4.02Å; F31-F42 HydrophobicContact CE2-CG 4.27Å; F31-F42 HydrophobicContact CG-CB 4.23Å; F31-F42 AromaticContact CG-CD1 3.89Å; F31-F42 HydrophobicContact CG-CD1 3.89Å; F31-F42 HydrophobicContact CG-CG 4.34Å; F31-F42 HydrophobicContact CZ-CB 4.13Å; F31-V43 HydrophobicContact CB-CG2 4.14Å; F31-V43 HydrophobicContact CD1-CG2 4Å; F31-V43 HydrophobicContact CG-CG2 4.41Å
32	Q	90.7	Very high	91.2	Very high	180 Å²	180	61.4 Å²	61.4	84%	0.841	32%	0.318	S	S	*	.	S	Bend	trans	-80	128.5	175	-67.3	-177.1	-23.7	0	0	110.2	F42	Q32-F42 WeakPolarHBondContact O-CE1 3.42Å
33	G	91.2	Very high	91.3	Very high	50 Å²	50	65 Å²	65	52%	0.515	34%	0.34	S	S	.	.	S	Bend	trans	97.3	-156.6	178.5	0	0	0	0	0	114.3
34	K	91.6	Very high	91.4	Very high	146 Å²	146	66.8 Å²	66.8	64%	0.635	35%	0.352	S	S	*	.			trans	-127.6	144.5	-177.7	-63.8	-178	-175.7	179.6	0	110.1	L27 V28	L27-K34 HydrophobicContact CB-CB 4.41Å; L27-K34 CarbonylContact O-C 3.59Å; L27-K34 WeakPolarHBondContact O-CA 3.46Å; V28-K34 HydrophobicContact CG2-CD 4.47Å; V28-K34 HydrophobicContact CG2-CG 3.87Å
35	M	91.2	Very high	91.5	Very high	7 Å²	7	68.4 Å²	68.4	3%	0.034	36%	0.364	C	S	.	.			trans	-64.3	152.2	169.6	-67.2	157.6	68.2	0	0	110.3	F22 L27 F31 H40 F42	F22-M35 HydrophobicContact CB-SD 3.67Å; F22-M35 HydrophobicContact CD1-CE 4.33Å; F22-M35 HydrophobicContact CD1-SD 4.12Å; F22-M35 HydrophobicContact CD2-CE 3.66Å; F22-M35 HydrophobicContact CD2-SD 3.41Å; F22-M35 WeakPolarHBondContact CD2-SD 3.38Å; F22-M35 HydrophobicContact CE1-CE 4.27Å; F22-M35 HydrophobicContact CE2-CE 3.59Å; F22-M35 HydrophobicContact CE2-SD 4.02Å; F22-M35 HydrophobicContact CG-CE 4.04Å; F22-M35 HydrophobicContact CG-SD 3.46Å; F22-M35 WeakPolarHBondContact CG-SD 3.49Å; F22-M35 HydrophobicContact CZ-CE 3.91Å; L27-M35 HydrophobicContact CB-CB 3.95Å; L27-M35 VanDerWaalsContact CD1-O 3.27Å; L27-M35 WeakPolarHBondContact CD1-O 3.34Å; L27-M35 HydrophobicContact CD2-CB 4.19Å; L27-M35 HydrophobicContact CG-CB 4.48Å; L27-M35 PolarHBondContact O-N 3.41Å; F31-M35 HydrophobicContact CE1-CG 4.2Å; F31-M35 HydrophobicContact CE1-SD 4.08Å; F31-M35 HydrophobicContact CE2-CG 4.03Å; F31-M35 HydrophobicContact CZ-CG 3.46Å; F31-M35 VanDerWaalsContact CZ-CG 3.46Å; F31-M35 HydrophobicContact CZ-SD 3.64Å; M35-H40 WeakPolarHBondContact CE-O 3.39Å; M35-F42 HydrophobicContact CG-CB 3.75Å
36	K	91.3	Very high	91.6	Very high	192 Å²	192	69.1 Å²	69.1	84%	0.835	36%	0.362	S	S	*	.	S	Bend	trans	-77.6	-31.9	176.9	-66.7	-177	178.5	-178.9	0	112.5
37	A	92.1	Very high	91.8	Very high	45 Å²	45	73.8 Å²	73.8	37%	0.372	38%	0.384	S	S	.	.	S	Bend	trans	-147.2	157.4	-179.3	0	0	0	0	0	110.2	D39 H40	A37-D39 VanDerWaalsContact C-N 3.25Å; A37-D39 PolarHBondContact O-N 2.89Å; A37-H40 HydrophobicContact CB-CB 4.13Å; A37-H40 PolarHBondContact O-N 2.85Å
38	E	88.9	Confident	91.8	Very high	89 Å²	89	82.2 Å²	82.2	42%	0.416	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.2	-178.4	-62.1	178.4	94.8	0	0	113.1	K24 L27	K24-E38 WeakPolarHBondContact CE-OE1 3.19Å; K24-E38 HydrophobicContact CG-CB 3.92Å; K24-E38 HydrophobicContact CG-CG 4.11Å; K24-E38 WeakPolarHBondContact CG-OE1 3.41Å; K24-E38 WeakPolarHBondContact O-CG 3.18Å; L27-E38 HydrophobicContact CD2-CB 4.31Å; L27-E38 HydrophobicContact CD2-CG 3.85Å
39	D	89.6	Confident	91.8	Very high	70 Å²	70	80.6 Å²	80.6	37%	0.374	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5.9	-178.4	-71.1	-75.2	0	0	0	113.8	A37 L47 R48 C49 I50	A37-D39 VanDerWaalsContact C-N 3.25Å; A37-D39 PolarHBondContact O-N 2.89Å; D39-L47 CarbonylContact O-C 3.52Å; D39-L47 WeakPolarHBondContact O-CA 3.45Å; D39-R48 WeakPolarHBondContact O-CA 3.29Å; D39-R48 PolarHBondContact O-N 2.84Å; D39-C49 PolarHBondContact O-N 3.47Å; D39-C49 VanDerWaalsContact O-N 3.07Å; D39-I50 WeakPolarHBondContact OD1-CD1 3.38Å
40	H	93	Very high	91.8	Very high	41 Å²	41	82.7 Å²	82.7	19%	0.19	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-122.1	110.8	-173.8	-172.2	-131.6	0	0	0	112.4	M35 A37 F42 N45 Q46 L47	M35-H40 WeakPolarHBondContact CE-O 3.39Å; A37-H40 HydrophobicContact CB-CB 4.13Å; A37-H40 PolarHBondContact O-N 2.85Å; H40-F42 PolarHBondContact O-N 2.87Å; H40-N45 PolarHBondContact CD2-O 2.93Å; H40-N45 PolarHBondContact CE1-OD1 2.9Å; H40-N45 WeakPolarHBondContact NE2-CA 3.25Å; H40-N45 PolarHBondContact NE2-O 3.5Å; H40-Q46 PolarHBondContact CD2-O 3.42Å; H40-L47 HydrophobicContact CB-CD2 4.36Å
41	C	92.7	Very high	91.9	Very high	0 Å²	0	79.2 Å²	79.2	0%	0	40%	0.401	C	S	.	.			trans	-69.1	126.1	-177.1	-173	0	0	0	0	111.4	C15 C18 V43 C44 N45 Q46 C49	C15-C41 VanDerWaalsContact SG-SG 3.66Å; C18-C41 PolarHBondContact SG-SG 2.97Å; C41-V43 VanDerWaalsContact C-N 3.27Å; C41-V43 PolarHBondContact O-N 3.06Å; C41-V43 PolarHBondContact SG-N 3.1Å; C41-V43 VanDerWaalsContact SG-N 3.44Å; C41-C44 WeakPolarHBondContact CB-SG 3.38Å; C41-C44 VanDerWaalsContact SG-SG 3.68Å; C41-N45 WeakPolarHBondContact O-CA 3.32Å; C41-N45 PolarHBondContact O-N 3.01Å; C41-Q46 PolarHBondContact N-O 3.39Å; C41-C49 HydrophobicContact CB-CB 3.64Å; C41-C49 PolarHBondContact N-SG 3Å
42	F	92.3	Very high	91.8	Very high	90 Å²	90	86.2 Å²	86.2	40%	0.395	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.9	175.4	-172.4	-96.2	0	0	0	113.2	F31 Q32 M35 H40	F31-F42 HydrophobicContact CB-CD1 3.97Å; F31-F42 HydrophobicContact CB-CE1 4.5Å; F31-F42 HydrophobicContact CD1-CB 4.3Å; F31-F42 HydrophobicContact CD2-CB 4.06Å; F31-F42 AromaticContact CD2-CD1 3.78Å; F31-F42 HydrophobicContact CD2-CD1 3.78Å; F31-F42 HydrophobicContact CD2-CE1 4.46Å; F31-F42 AromaticContact CD2-CG 3.98Å; F31-F42 HydrophobicContact CD2-CG 3.98Å; F31-F42 HydrophobicContact CE1-CB 4.24Å; F31-F42 HydrophobicContact CE2-CB 4.02Å; F31-F42 HydrophobicContact CE2-CG 4.27Å; F31-F42 HydrophobicContact CG-CB 4.23Å; F31-F42 AromaticContact CG-CD1 3.89Å; F31-F42 HydrophobicContact CG-CD1 3.89Å; F31-F42 HydrophobicContact CG-CG 4.34Å; F31-F42 HydrophobicContact CZ-CB 4.13Å; Q32-F42 WeakPolarHBondContact O-CE1 3.42Å; M35-F42 HydrophobicContact CG-CB 3.75Å; H40-F42 PolarHBondContact O-N 2.87Å
43	V	92.6	Very high	91.8	Very high	76 Å²	76	84.5 Å²	84.5	46%	0.461	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-51.1	-174.6	-179.2	0	0	0	0	112	T20 F31 C41	T20-V43 HydrophobicContact CG2-CG2 3.94Å; F31-V43 HydrophobicContact CB-CG2 4.14Å; F31-V43 HydrophobicContact CD1-CG2 4Å; F31-V43 HydrophobicContact CG-CG2 4.41Å; C41-V43 VanDerWaalsContact C-N 3.27Å; C41-V43 PolarHBondContact O-N 3.06Å; C41-V43 PolarHBondContact SG-N 3.1Å; C41-V43 VanDerWaalsContact SG-N 3.44Å
44	C	94.4	Very high	91.5	Very high	37 Å²	37	83.4 Å²	83.4	25%	0.25	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-4.4	-175.9	71.6	0	0	0	0	114.3	C15 C18 C41 Q46	C15-C44 VanDerWaalsContact SG-SG 3.66Å; C18-C44 HydrophobicContact CB-CB 4.12Å; C41-C44 WeakPolarHBondContact CB-SG 3.38Å; C41-C44 VanDerWaalsContact SG-SG 3.68Å; C44-Q46 HydrophobicContact CB-CG 4.38Å; C44-Q46 PolarHBondContact O-N 3.48Å
45	N	92.8	Very high	90.7	Very high	101 Å²	101	83.5 Å²	83.5	54%	0.54	40%	0.403	S	S	.	.			trans	53.6	21.5	-179.6	-68.7	-51.4	0	0	0	115.6	H40 C41	H40-N45 PolarHBondContact CD2-O 2.93Å; H40-N45 PolarHBondContact CE1-OD1 2.9Å; H40-N45 WeakPolarHBondContact NE2-CA 3.25Å; H40-N45 PolarHBondContact NE2-O 3.5Å; C41-N45 WeakPolarHBondContact O-CA 3.32Å; C41-N45 PolarHBondContact O-N 3.01Å
46	Q	93.2	Very high	89.6	Confident	98 Å²	98	88.7 Å²	88.7	46%	0.458	42%	0.423	S	S	.	.			trans	-83.6	140.7	175.4	-64	-60.2	-43.9	0	0	110.8	W17 H40 C41 C44	W17-Q46 VanDerWaalsContact CD1-CB 3.5Å; W17-Q46 HydrophobicContact CD2-CG 4.47Å; W17-Q46 HydrophobicContact CG-CB 4.14Å; W17-Q46 HydrophobicContact CG-CG 4.07Å; H40-Q46 PolarHBondContact CD2-O 3.42Å; C41-Q46 PolarHBondContact N-O 3.39Å; C44-Q46 HydrophobicContact CB-CG 4.38Å; C44-Q46 PolarHBondContact O-N 3.48Å
47	L	93.5	Very high	88.2	Confident	129 Å²	129	84.9 Å²	84.9	68%	0.675	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-77.1	157.3	172.2	-64.2	174.1	0	0	0	111.1	D39 H40 C49	D39-L47 CarbonylContact O-C 3.52Å; D39-L47 WeakPolarHBondContact O-CA 3.45Å; H40-L47 HydrophobicContact CB-CD2 4.36Å; L47-C49 PolarHBondContact O-N 2.83Å
48	R	92.8	Very high	86.7	Confident	210 Å²	210	86.3 Å²	86.3	79%	0.792	42%	0.421	S	S	*	.	S	Bend	trans	48.8	45.6	-175.2	-60.4	-179.3	-179.4	173.8	0.1	111.5	D39 I50	D39-R48 WeakPolarHBondContact O-CA 3.29Å; D39-R48 PolarHBondContact O-N 2.84Å; R48-I50 PolarHBondContact O-N 3.02Å
49	C	91.6	Very high	85.2	Confident	0 Å²	0	89.3 Å²	89.3	0%	0	44%	0.439	C	S	.	.			trans	-74.8	-8.7	-175.3	72.2	0	0	0	0	113.5	C15 K16 D39 C41 L47 G51	C15-C49 CarbonylContact C-O 3.52Å; C15-C49 VanDerWaalsContact CA-O 3.26Å; C15-C49 WeakPolarHBondContact CA-O 3.02Å; K16-C49 PolarHBondContact N-O 3.39Å; D39-C49 PolarHBondContact O-N 3.47Å; D39-C49 VanDerWaalsContact O-N 3.07Å; C41-C49 HydrophobicContact CB-CB 3.64Å; C41-C49 PolarHBondContact N-SG 3Å; L47-C49 PolarHBondContact O-N 2.83Å; C49-G51 PolarHBondContact O-N 2.88Å
50	I	91.9	Very high	83.6	Confident	46 Å²	46	91 Å²	91	24%	0.236	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	109.3	-177.6	-54.9	-177.4	0	0	0	109.1	Y13 F22 K24 D39 R48	Y13-I50 HydrophobicContact CD1-CG2 3.72Å; Y13-I50 HydrophobicContact CE1-CG2 4.17Å; Y13-I50 HydrophobicContact CG-CG2 4.15Å; F22-I50 HydrophobicContact CZ-CG1 4.41Å; K24-I50 HydrophobicContact CD-CD1 4.12Å; D39-I50 WeakPolarHBondContact OD1-CD1 3.38Å; R48-I50 PolarHBondContact O-N 3.02Å
51	G	91.7	Very high	81.7	Confident	25 Å²	25	98.4 Å²	98.4	26%	0.258	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-141.4	174.5	0	0	0	0	0	111.2	M14 C49	M14-G51 WeakPolarHBondContact O-CA 3.17Å; M14-G51 PolarHBondContact O-N 2.96Å; C49-G51 PolarHBondContact O-N 2.88Å
52	K	89.6	Confident	79.7	Confident	179 Å²	179	107.3 Å²	107.3	78%	0.778	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	140.3	-177.6	-62.6	-177.4	179.8	-177.5	0	110.8	M14	M14-K52 PolarHBondContact N-O 3Å
53	R	89.3	Confident	77.7	Confident	144 Å²	144	109.5 Å²	109.5	54%	0.543	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.8	166.4	-174.1	-177.2	-74.2	-144.6	6.1	108.5	D10 Y13	D10-R53 PolarHBondContact O-NH1 3.04Å; Y13-R53 HydrophobicContact CD1-CB 3.99Å; Y13-R53 HydrophobicContact CE1-CB 3.63Å; Y13-R53 HydrophobicContact CE1-CG 4.16Å; Y13-R53 PolarHBondContact OH-NE 3.31Å; Y13-R53 VanDerWaalsContact OH-NE 3.1Å; Y13-R53 PolarHBondContact OH-NH2 3.11Å
54	V	84.6	Confident	75.6	Confident	26 Å²	26	113.7 Å²	113.7	16%	0.158	55%	0.552	C	S	.	*			trans	-113.7	113.9	172.4	-174.1	0	0	0	0	107.8	T12 M14 Y56	T12-V54 PolarHBondContact O-N 2.85Å; M14-V54 HydrophobicContact CB-CG2 4.22Å; M14-V54 HydrophobicContact CG-CG2 3.4Å; M14-V54 HydrophobicContact SD-CG2 3.38Å; M14-V54 WeakPolarHBondContact SD-CG2 2.93Å; V54-Y56 PolarHBondContact O-N 3.13Å
55	E	76.4	Confident	73.4	Confident	149 Å²	149	118.1 Å²	118.1	70%	0.696	58%	0.578	S	S	*	*			trans	-64	129.7	169.3	-74.1	-173.9	99.1	0	0	109.3	V57	E55-V57 PolarHBondContact O-N 3.25Å; E55-V57 VanDerWaalsContact O-N 3.13Å
56	Y	67	Low	71.4	Confident	115 Å²	115	121.9 Å²	121.9	45%	0.451	59%	0.59	S	S	.	*			trans	-74.1	103.5	168.7	176.5	-102.3	0	0	0	106.8	R3 V54 P58	R3-Y56 HydrophobicContact CB-CD2 4.45Å; V54-Y56 PolarHBondContact O-N 3.13Å; Y56-P58 HydrophobicContact CD1-CB 4.46Å; Y56-P58 HydrophobicContact CE1-CB 3.98Å; Y56-P58 WeakPolarHBondContact O-CD 3.14Å
57	V	63	Low	69.2	Low	113 Å²	113	122.9 Å²	122.9	69%	0.685	61%	0.605	S	S	*	*			trans	-73.9	106.2	166.8	-175.2	0	0	0	0	105.8	E55 L59	E55-V57 PolarHBondContact O-N 3.25Å; E55-V57 VanDerWaalsContact O-N 3.13Å; V57-L59 PolarHBondContact O-N 2.83Å
58	P	59.8	Low	67.3	Low	74 Å²	74	124.4 Å²	124.4	48%	0.481	61%	0.613	S	S	.	*			trans	-55	131.8	167.4	25.1	-32.4	0	0	0	106.2	Y56 T60	Y56-P58 HydrophobicContact CD1-CB 4.46Å; Y56-P58 HydrophobicContact CE1-CB 3.98Å; Y56-P58 WeakPolarHBondContact O-CD 3.14Å; P58-T60 PolarHBondContact O-N 3.42Å
59	L	56.6	Low	65	Low	153 Å²	153	123.9 Å²	123.9	80%	0.801	62%	0.616	S	S	*	*			trans	-58.5	94.5	166.3	-84.9	76.2	0	0	0	105.1	V57 K61	V57-L59 PolarHBondContact O-N 2.83Å; L59-K61 PolarHBondContact O-N 2.55Å
60	T	57.5	Low	62.9	Low	106 Å²	106	133 Å²	133	65%	0.65	66%	0.656	S	S	*	*			trans	-53.5	116	167	48.2	0	0	0	0	103.6	P58 K62	P58-T60 PolarHBondContact O-N 3.42Å; T60-K62 PolarHBondContact O-N 2.79Å
61	K	52.4	Low	60.5	Low	195 Å²	195	134.5 Å²	134.5	85%	0.848	68%	0.683	S	S	*	*			trans	-64.8	62.7	166.5	-71.5	179.3	175.7	177.5	0	108	L59 L63	L59-K61 PolarHBondContact O-N 2.55Å; K61-L63 PolarHBondContact O-N 3.49Å
62	K	50	Low	58.3	Low	187 Å²	187	137.3 Å²	137.3	81%	0.813	71%	0.712	S	S	*	*			trans	-78.2	87.4	145.8	-91.2	-176.6	170.8	-179.3	0	102.6	T60	T60-K62 PolarHBondContact O-N 2.79Å
63	L	51.2	Low	56.5	Low	137 Å²	137	133.4 Å²	133.4	72%	0.717	71%	0.713	S	S	*	*				32.8	87.9	79.2	-71.6	172.1	0	0	0	108.8	K61	K61-L63 PolarHBondContact O-N 3.49Å
64	E	48.3	Very low	54.6	Low	163 Å²	163	136.7 Å²	136.7	76%	0.762	73%	0.731	S	S	*	*			trans	79.4	142.3	146.7	-55.2	-178.1	88.2	0	0	117.7
65	T	49.2	Very low	53	Low	131 Å²	131	145.2 Å²	145.2	80%	0.804	77%	0.766	S	S	*	*			trans	72.2	80	162	21.9	0	0	0	0	117.3
66	K	50.2	Low	51.7	Low	180 Å²	180	141.3 Å²	141.3	78%	0.783	77%	0.766	S	S	*	*				155.7	117.1	98	-82.7	169.1	106.9	175	0	109.1	L68	K66-L68 PolarHBondContact O-N 3.28Å
67	P	47.5	Very low	51	Low	119 Å²	119	145.6 Å²	145.6	77%	0.773	79%	0.787	S	S	*	*			trans	-62.7	105.1	165.5	26.6	-31.3	0	0	0	107.8	K69	P67-K69 PolarHBondContact O-N 3.05Å
68	L	53.3	Low	50.5	Low	160 Å²	160	149 Å²	149	84%	0.838	79%	0.792	S	S	*	*			trans	-66	86.8	160.3	-86.5	160.7	0	0	0	107	K66 K70	K66-L68 PolarHBondContact O-N 3.28Å; L68-K70 PolarHBondContact O-N 3.21Å
69	K	44.5	Very low	50	Low	199 Å²	199	155.5 Å²	155.5	87%	0.865	81%	0.813	S	S	*	*			trans	-54	84	156.8	-81.3	-179.8	169.4	176.2	0	108.4	P67	P67-K69 PolarHBondContact O-N 3.05Å
70	K	47	Very low	50	Low	191 Å²	191	154.2 Å²	154.2	83%	0.83	81%	0.812	S	S	*	*			trans	-156.9	93	161.3	-96	-176.9	177.3	176.6	0	103.9	L68	L68-K70 PolarHBondContact O-N 3.21Å
71	G	41.6	Very low	49.6	Very low	78 Å²	78	152.8 Å²	152.8	80%	0.804	82%	0.818	S	S	*	*				122.8	128.3	57.2	0	0	0	0	0	105.8
72	G	45.1	Very low	49.5	Very low	84 Å²	84	153.7 Å²	153.7	87%	0.866	82%	0.822	S	S	*	*			trans	89.3	127.2	-176.7	0	0	0	0	0	111.4
73	A	51.6	Low	49.4	Very low	97 Å²	97	147.7 Å²	147.7	80%	0.802	81%	0.813	S	S	*	*			cis	-132	135.7	29.2	0	0	0	0	0	110.8	K75	A73-K75 PolarHBondContact O-N 2.84Å
74	K	50.3	Low	49.4	Very low	213 Å²	213	148.8 Å²	148.8	93%	0.926	82%	0.818	S	S	*	*			trans	-44.8	95.3	163	-64	173.9	176.7	177.3	0	109.5	G76	K74-G76 PolarHBondContact O-N 3.03Å
75	K	50	Low	49.7	Very low	206 Å²	206	150 Å²	150	90%	0.896	82%	0.821	S	S	*	*			trans	-77.1	83.2	166.7	-158.7	169	-174.9	175.6	0	106.6	A73 K77	A73-K75 PolarHBondContact O-N 2.84Å; K75-K77 PolarHBondContact O-N 2.67Å
76	G	50.5	Low	49.6	Very low	67 Å²	67	153.9 Å²	153.9	69%	0.691	83%	0.826	S	S	*	*			trans	-46	111.1	174.8	0	0	0	0	0	109.2	K74 K78	K74-G76 PolarHBondContact O-N 3.03Å; G76-K78 PolarHBondContact O-N 3.21Å
77	K	52	Low	49.9	Very low	204 Å²	204	151.1 Å²	151.1	89%	0.887	83%	0.825	S	S	*	*			trans	-67.6	108.3	179.3	-160.6	172.6	178.8	-178.8	0	107	K75 K79	K75-K77 PolarHBondContact O-N 2.67Å; K77-K79 PolarHBondContact O-N 2.93Å; K77-K79 VanDerWaalsContact O-N 3.15Å
78	K	52	Low	50	Low	184 Å²	184	148.9 Å²	148.9	80%	0.8	82%	0.823	S	S	*	*			trans	-28.3	110	169.3	-78.7	174.1	166.9	-179.4	0	112	G76	G76-K78 PolarHBondContact O-N 3.21Å
79	K	49.6	Very low	49.7	Very low	211 Å²	211	151.5 Å²	151.5	92%	0.917	83%	0.827	S	S	*	*			trans	-111.7	66.5	153.8	-83.9	-169.9	176.4	-178.5	0	108.3	K77 G81	K77-K79 PolarHBondContact O-N 2.93Å; K77-K79 VanDerWaalsContact O-N 3.15Å; K79-G81 PolarHBondContact O-N 2.93Å
80	T	56.6	Low	50.1	Low	127 Å²	127	145.4 Å²	145.4	78%	0.779	82%	0.822	S	S	*	*			trans	-96.8	76.4	167.7	39.6	0	0	0	0	108.2
81	G	48.3	Very low	50.1	Low	75 Å²	75	144.6 Å²	144.6	77%	0.773	82%	0.818	S	S	*	*			trans	-121.4	47.6	168.8	0	0	0	0	0	109.7	K79 G83	K79-G81 PolarHBondContact O-N 2.93Å; G81-G83 VanDerWaalsContact C-N 3.27Å; G81-G83 PolarHBondContact O-N 2.69Å; G81-G83 VanDerWaalsContact O-N 3.16Å
82	K	50.1	Low	50.4	Low	215 Å²	215	149.3 Å²	149.3	94%	0.935	82%	0.816	S	S	*	*			trans	-86.2	78.9	172.2	-105.5	-179.6	173.2	178.6	0	108
83	G	49.2	Very low	50.4	Low	60 Å²	60	154.6 Å²	154.6	62%	0.619	82%	0.815	S	S	*	*			trans	-66.4	141.7	160.4	0	0	0	0	0	110.2	G81	G81-G83 VanDerWaalsContact C-N 3.27Å; G81-G83 PolarHBondContact O-N 2.69Å; G81-G83 VanDerWaalsContact O-N 3.16Å
84	I	51.3	Low	50.4	Low	161 Å²	161	159.6 Å²	159.6	83%	0.826	82%	0.819	S	S	*	*			trans	63.9	107.6	150.1	-59	167.1	0	0	0	116
85	K	53.6	Low	50	Low	189 Å²	189	162.6 Å²	162.6	82%	0.822	83%	0.832	S	S	*	*				-156	98.7	117.8	-109.7	172.1	-176	178.8	0	110.3	T87	K85-T87 PolarHBondContact O-N 3.36Å
86	K	47.3	Very low	50.1	Low	211 Å²	211	160.4 Å²	160.4	92%	0.917	83%	0.829	S	S	*	*			trans	-57.2	108.6	156.5	-83.9	176.7	171.8	174.9	0	108.2
87	T	57	Low	50	Low	123 Å²	123	165.3 Å²	165.3	76%	0.755	84%	0.836	S	S	*	*			trans	-138.3	96.3	156.7	46.1	0	0	0	0	104.5	K85	K85-T87 PolarHBondContact O-N 3.36Å
88	G	48.5	Very low	49.9	Very low	71 Å²	71	163.2 Å²	163.2	73%	0.732	83%	0.833	S	S	*	*			cis	74.7	100.5	41.1	0	0	0	0	0	108.7
89	K	47	Very low	49.8	Very low	215 Å²	215	161.9 Å²	161.9	94%	0.935	84%	0.835	S	S	*	*			trans	87.3	118.1	148.6	-122.2	170.1	176.6	176.9	0	118.1
90	G	53.4	Low	49.8	Very low	72 Å²	72	158.9 Å²	158.9	74%	0.742	83%	0.83	S	S	*	*			trans	146.3	70.3	162.2	0	0	0	0	0	110.5
91	K	47.3	Very low	49.4	Very low	174 Å²	174	161 Å²	161	76%	0.757	83%	0.834	S	S	*	*				66.3	119.9	60.6	-144	-174.9	-173	-179.1	0	112.7
92	K	48.2	Very low	49.4	Very low	177 Å²	177	167.1 Å²	167.1	77%	0.77	84%	0.838	S	S	*	*			trans	78.5	118.3	158.3	-81.6	172.9	165.5	-178.7	0	116.9
93	K	44.2	Very low	49.4	Very low	194 Å²	194	163.5 Å²	163.5	84%	0.843	83%	0.83	S	S	*	*				73.1	110.1	59.7	-167.7	-179.2	-171.6	175.7	0	111.7
94	K	51.4	Low	49.4	Very low	203 Å²	203	172.1 Å²	172.1	88%	0.883	85%	0.848	S	S	*	*			trans	157.2	129	157.9	-94.1	173.5	178.4	-173.8	0	104.5
95	K	43.7	Very low	49.2	Very low	275 Å²	275	173.1 Å²	173.1	100%	1.196	85%	0.85	S	S	*	*			cis	-165.3	0	12.5	-155.9	-175.2	-177.4	-163.5	0	105.7

Retrieved 95 of 95 residues in 155.5 ms (Link to these results)

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