A0A3Q0KUU8_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KUU8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 aa.

						>A0A3Q0KUU8_SCHMA|A0A3Q0KUU8
MAFDMLYIGFKNRDKPEVDCEGACPGFLGEKVTHPAKLPFQSKIFTFSISNRMVYESTSGSIQICRCWSFKCRGFQFPRSHD
					

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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	46.8	Very low	51.7	Low	197 Å²	197	102.3 Å²	102.3	97%	0.97	50%	0.5	S	S	*	.				0	-49.5	0	-60	-173.9	-174.9	0	0	111.9	F3 D4 M5	M1-F3 PolarHBondContact O-N 3.02Å; M1-D4 PolarHBondContact O-N 2.99Å; M1-M5 HydrophobicContact CB-CE 3.9Å; M1-M5 WeakPolarHBondContact O-CG 2.81Å; M1-M5 PolarHBondContact O-N 2Å
2	A	43.1	Very low	52	Low	65 Å²	65	94.4 Å²	94.4	54%	0.537	46%	0.462	S	S	.	.	H	α-helix	trans	-62.5	-35.4	178	0	0	0	0	0	115.9	M5 L6	A2-M5 WeakPolarHBondContact O-CB 3.26Å; A2-M5 PolarHBondContact O-N 3.17Å; A2-L6 PolarHBondContact O-N 3.16Å
3	F	48.1	Very low	52	Low	182 Å²	182	100.1 Å²	100.1	80%	0.798	48%	0.475	S	S	*	.	H	α-helix	trans	-66	-42.9	177	-102.1	-88.3	0	0	0	113	M1 M5 L6 Y7	M1-F3 PolarHBondContact O-N 3.02Å; F3-M5 VanDerWaalsContact C-N 3.26Å; F3-M5 PolarHBondContact O-N 2.99Å; F3-L6 PolarHBondContact O-N 3.47Å; F3-Y7 WeakPolarHBondContact O-CB 3.27Å; F3-Y7 PolarHBondContact O-N 3.18Å
4	D	50.3	Low	52.2	Low	102 Å²	102	104.6 Å²	104.6	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-39.9	176.5	-168.2	-109.7	0	0	0	110.6	M1 Y7 I8	M1-D4 PolarHBondContact O-N 2.99Å; D4-Y7 WeakPolarHBondContact O-CB 3.48Å; D4-Y7 PolarHBondContact O-N 2.94Å; D4-I8 WeakPolarHBondContact O-CB 2.95Å; D4-I8 VanDerWaalsContact O-CG1 3.28Å; D4-I8 WeakPolarHBondContact O-CG1 2.86Å; D4-I8 PolarHBondContact O-N 2.89Å; D4-I8 WeakPolarHBondContact OD1-CD1 3.15Å
5	M	47.8	Very low	52.5	Low	30 Å²	30	103.3 Å²	103.3	15%	0.148	50%	0.495	C	S	.	.	H	α-helix	trans	-62.3	-54	174.2	-60	160.9	-172.4	0	0	111.2	M1 A2 F3 Y7 I8 G9 F45 F47	M1-M5 HydrophobicContact CB-CE 3.9Å; M1-M5 WeakPolarHBondContact O-CG 2.81Å; M1-M5 PolarHBondContact O-N 2Å; A2-M5 WeakPolarHBondContact O-CB 3.26Å; A2-M5 PolarHBondContact O-N 3.17Å; F3-M5 VanDerWaalsContact C-N 3.26Å; F3-M5 PolarHBondContact O-N 2.99Å; M5-Y7 PolarHBondContact O-N 3.29Å; M5-I8 CarbonylContact O-C 3.49Å; M5-I8 WeakPolarHBondContact O-CA 3.46Å; M5-I8 WeakPolarHBondContact O-CB 3.42Å; M5-I8 PolarHBondContact O-N 3.38Å; M5-G9 PolarHBondContact O-N 2.92Å; M5-F45 HydrophobicContact CE-CD1 3.58Å; M5-F45 HydrophobicContact CE-CE1 3.49Å; M5-F45 VanDerWaalsContact CE-CE1 3.49Å; M5-F45 HydrophobicContact CG-CB 4.41Å; M5-F45 HydrophobicContact CG-CD1 3.56Å; M5-F45 HydrophobicContact CG-CE1 3.94Å; M5-F45 HydrophobicContact CG-CG 4.02Å; M5-F45 HydrophobicContact SD-CD1 3.68Å; M5-F45 HydrophobicContact SD-CE1 4.18Å; M5-F47 HydrophobicContact CB-CE1 4.43Å; M5-F47 HydrophobicContact CB-CZ 3.86Å; M5-F47 WeakPolarHBondContact O-CZ 3.13Å
6	L	51.1	Low	52.4	Low	74 Å²	74	103.8 Å²	103.8	39%	0.387	51%	0.509	S	S	.	.	H	α-helix	trans	-53.5	-41	177.9	-85.2	158.4	0	0	0	111.4	A2 F3 G9 F10 F47	A2-L6 PolarHBondContact O-N 3.16Å; F3-L6 PolarHBondContact O-N 3.47Å; L6-G9 PolarHBondContact O-N 3.04Å; L6-F10 WeakPolarHBondContact O-CB 3.38Å; L6-F10 PolarHBondContact O-N 2.81Å; L6-F47 HydrophobicContact CB-CE1 4.34Å; L6-F47 HydrophobicContact CD2-CD1 4.09Å; L6-F47 HydrophobicContact CD2-CE1 3.85Å; L6-F47 HydrophobicContact CG-CE1 3.9Å
7	Y	61.2	Low	52.5	Low	148 Å²	148	102.1 Å²	102.1	58%	0.58	50%	0.499	S	S	*	.	H	α-helix	trans	-63.7	-45	175.2	-176.5	-100.3	0	0	0	112.1	F3 D4 M5 G9 F10 K11	F3-Y7 WeakPolarHBondContact O-CB 3.27Å; F3-Y7 PolarHBondContact O-N 3.18Å; D4-Y7 WeakPolarHBondContact O-CB 3.48Å; D4-Y7 PolarHBondContact O-N 2.94Å; M5-Y7 PolarHBondContact O-N 3.29Å; Y7-G9 PolarHBondContact O-N 3Å; Y7-F10 PolarHBondContact O-N 2.92Å; Y7-K11 HydrophobicContact CE1-CD 3.97Å; Y7-K11 WeakPolarHBondContact O-CB 3.11Å; Y7-K11 PolarHBondContact O-N 3Å
8	I	54.1	Low	52.5	Low	13 Å²	13	99.4 Å²	99.4	7%	0.067	49%	0.49	C	S	.	.	H	α-helix	trans	-58.9	-45.9	173.5	-73.5	163	0	0	0	110.9	D4 M5 F10 K11 N12 V54 I62	D4-I8 WeakPolarHBondContact O-CB 2.95Å; D4-I8 VanDerWaalsContact O-CG1 3.28Å; D4-I8 WeakPolarHBondContact O-CG1 2.86Å; D4-I8 PolarHBondContact O-N 2.89Å; D4-I8 WeakPolarHBondContact OD1-CD1 3.15Å; M5-I8 CarbonylContact O-C 3.49Å; M5-I8 WeakPolarHBondContact O-CA 3.46Å; M5-I8 WeakPolarHBondContact O-CB 3.42Å; M5-I8 PolarHBondContact O-N 3.38Å; I8-F10 PolarHBondContact O-N 3.36Å; I8-K11 PolarHBondContact O-N 3.3Å; I8-N12 WeakPolarHBondContact O-CB 3.4Å; I8-N12 PolarHBondContact O-N 3.15Å; I8-N12 PolarHBondContact O-ND2 3.04Å; I8-V54 HydrophobicContact CG2-CG1 3.78Å; I8-I62 HydrophobicContact CG1-CD1 4.46Å; I8-I62 HydrophobicContact CG2-CD1 3.79Å; I8-I62 HydrophobicContact CG2-CG1 4.23Å; I8-I62 HydrophobicContact CG2-CG2 3.95Å
9	G	53	Low	52.6	Low	16 Å²	16	98.7 Å²	98.7	17%	0.165	49%	0.488	C	S	.	.	H	α-helix	trans	-62	-42.7	177	0	0	0	0	0	112.8	M5 L6 Y7 R13	M5-G9 PolarHBondContact O-N 2.92Å; L6-G9 PolarHBondContact O-N 3.04Å; Y7-G9 PolarHBondContact O-N 3Å; G9-R13 PolarHBondContact O-N 3.33Å
10	F	54.6	Low	52.5	Low	148 Å²	148	94 Å²	94	65%	0.649	47%	0.466	S	S	*	.	H	α-helix	trans	-65.9	-47.3	175	-105.3	-92.1	0	0	0	112.4	L6 Y7 I8 N12 R13	L6-F10 WeakPolarHBondContact O-CB 3.38Å; L6-F10 PolarHBondContact O-N 2.81Å; Y7-F10 PolarHBondContact O-N 2.92Å; I8-F10 PolarHBondContact O-N 3.36Å; F10-N12 PolarHBondContact O-N 2.89Å; F10-R13 VanDerWaalsContact O-CB 3.27Å; F10-R13 WeakPolarHBondContact O-CB 3.47Å; F10-R13 PolarHBondContact O-N 2.9Å
11	K	59	Low	52.3	Low	150 Å²	150	95.6 Å²	95.6	65%	0.652	47%	0.472	S	S	*	.	H	α-helix	trans	-63.4	-30.8	-178.3	-173.3	177	179.9	-178.2	0	112.4	Y7 I8	Y7-K11 HydrophobicContact CE1-CD 3.97Å; Y7-K11 WeakPolarHBondContact O-CB 3.11Å; Y7-K11 PolarHBondContact O-N 3Å; I8-K11 PolarHBondContact O-N 3.3Å
12	N	55.1	Low	52.2	Low	8 Å²	8	87.6 Å²	87.6	4%	0.043	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.9	-179.6	-65.9	-84.9	0	0	0	113.3	I8 F10 D14 K15 I62 I64	I8-N12 WeakPolarHBondContact O-CB 3.4Å; I8-N12 PolarHBondContact O-N 3.15Å; I8-N12 PolarHBondContact O-ND2 3.04Å; F10-N12 PolarHBondContact O-N 2.89Å; N12-D14 PolarHBondContact O-N 3.26Å; N12-D14 VanDerWaalsContact O-N 3.13Å; N12-K15 HydrophobicContact CB-CD 4.17Å; N12-K15 HydrophobicContact CB-CG 4.41Å; N12-K15 WeakPolarHBondContact O-CB 3.16Å; N12-K15 PolarHBondContact O-N 3.12Å; N12-K15 WeakPolarHBondContact OD1-CD 3.5Å; N12-K15 WeakPolarHBondContact OD1-CE 3.32Å; N12-K15 PolarHBondContact OD1-NZ 2.85Å; N12-I62 HydrophobicContact CB-CG2 4.02Å; N12-I62 VanDerWaalsContact CG-CG2 3.49Å; N12-I62 WeakPolarHBondContact ND2-CD1 3.05Å; N12-I62 WeakPolarHBondContact ND2-CG2 3.49Å; N12-I64 HydrophobicContact CB-CD1 3.87Å; N12-I64 HydrophobicContact CB-CG1 4.17Å; N12-I64 WeakPolarHBondContact O-CD1 3.45Å
13	R	52.2	Low	52.4	Low	168 Å²	168	84.5 Å²	84.5	63%	0.634	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.9	179.7	-176.9	175.5	165.4	174.1	-4.5	113.7	G9 F10	G9-R13 PolarHBondContact O-N 3.33Å; F10-R13 VanDerWaalsContact O-CB 3.27Å; F10-R13 WeakPolarHBondContact O-CB 3.47Å; F10-R13 PolarHBondContact O-N 2.9Å
14	D	54.8	Low	52.3	Low	164 Å²	164	76.4 Å²	76.4	88%	0.877	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.8	176	-100.9	-99.4	0	0	0	114.2	N12	N12-D14 PolarHBondContact O-N 3.26Å; N12-D14 VanDerWaalsContact O-N 3.13Å
15	K	55.6	Low	52.1	Low	85 Å²	85	73.2 Å²	73.2	37%	0.37	37%	0.365	S	S	.	.	S	Bend	trans	-76.3	146.7	176.6	-75.7	-170	173.6	163.6	0	110.9	N12 E17 I62	N12-K15 HydrophobicContact CB-CD 4.17Å; N12-K15 HydrophobicContact CB-CG 4.41Å; N12-K15 WeakPolarHBondContact O-CB 3.16Å; N12-K15 PolarHBondContact O-N 3.12Å; N12-K15 WeakPolarHBondContact OD1-CD 3.5Å; N12-K15 WeakPolarHBondContact OD1-CE 3.32Å; N12-K15 PolarHBondContact OD1-NZ 2.85Å; K15-E17 PolarHBondContact O-N 2.84Å; K15-E17 VanDerWaalsContact O-N 3.09Å; K15-I62 VanDerWaalsContact CD-O 3.27Å; K15-I62 WeakPolarHBondContact CD-O 3.31Å; K15-I62 PolarHBondContact NZ-O 3.09Å
16	P	52	Low	51.9	Low	111 Å²	111	72.4 Å²	72.4	72%	0.721	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-57.1	120	176.9	23.7	-33.1	0	0	0	109.9	V18	P16-V18 PolarHBondContact O-N 3.3Å
17	E	53.4	Low	51.2	Low	74 Å²	74	75.8 Å²	75.8	35%	0.346	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	122.5	172	-61.9	-175	77.9	0	0	107.8	K15 R52 I64	K15-E17 PolarHBondContact O-N 2.84Å; K15-E17 VanDerWaalsContact O-N 3.09Å; E17-R52 WeakPolarHBondContact OE1-CD 2.92Å; E17-R52 IonicContact OE1-CZ 3.16Å; E17-R52 IonicContact OE1-NE 3.34Å; E17-R52 PolarHBondContact OE1-NE 3.27Å; E17-R52 IonicContact OE1-NH1 3.31Å; E17-R52 PolarHBondContact OE1-NH1 3.49Å; E17-R52 IonicContact OE1-NH2 3.55Å; E17-R52 IonicContact OE2-CZ 3.26Å; E17-R52 VanDerWaalsContact OE2-CZ 3.26Å; E17-R52 IonicContact OE2-NH1 3.11Å; E17-R52 PolarHBondContact OE2-NH1 3.45Å; E17-R52 VanDerWaalsContact OE2-NH1 3.11Å; E17-R52 IonicContact OE2-NH2 3.09Å; E17-R52 PolarHBondContact OE2-NH2 3.41Å; E17-R52 VanDerWaalsContact OE2-NH2 3.09Å; E17-I64 CarbonylContact C-O 3.58Å; E17-I64 VanDerWaalsContact CA-O 3.31Å; E17-I64 WeakPolarHBondContact CA-O 3.39Å; E17-I64 HydrophobicContact CG-CB 4.36Å; E17-I64 HydrophobicContact CG-CG2 4.13Å
18	V	52.2	Low	50.3	Low	54 Å²	54	74.4 Å²	74.4	33%	0.327	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.8	174.7	-70	0	0	0	0	109.3	P16 C20 I64 C65 R66	P16-V18 PolarHBondContact O-N 3.3Å; V18-C20 PolarHBondContact O-N 2.8Å; V18-I64 PolarHBondContact N-O 2.86Å; V18-C65 HydrophobicContact CG2-CB 4.44Å; V18-C65 VanDerWaalsContact O-CA 3.24Å; V18-C65 WeakPolarHBondContact O-CA 3.05Å; V18-R66 PolarHBondContact O-N 3.3Å; V18-R66 VanDerWaalsContact O-N 3.08Å
19	D	54.3	Low	49.5	Very low	86 Å²	86	77.2 Å²	77.2	46%	0.46	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	109.3	170.7	-164.8	-90.6	0	0	0	108.3	E21 W68	D19-E21 VanDerWaalsContact C-N 3.3Å; D19-E21 PolarHBondContact O-N 3.02Å; D19-E21 VanDerWaalsContact OD1-CG 3.24Å; D19-E21 WeakPolarHBondContact OD1-CG 3.13Å; D19-E21 PolarHBondContact OD1-N 3.21Å; D19-W68 PolarHBondContact OD2-NE1 3.38Å
20	C	51.4	Low	48.9	Very low	5 Å²	5	79 Å²	79	3%	0.034	41%	0.414	C	S	.	.			trans	-93.2	79.3	176.5	-69.9	0	0	0	0	107.1	V18 G22 A23 H34 C65 R66	V18-C20 PolarHBondContact O-N 2.8Å; C20-G22 PolarHBondContact O-N 3.04Å; C20-A23 HydrophobicContact CB-CB 3.82Å; C20-A23 PolarHBondContact O-N 3.45Å; C20-A23 VanDerWaalsContact O-N 3.12Å; C20-H34 WeakPolarHBondContact CB-NE2 3.24Å; C20-H34 PolarHBondContact SG-NE2 2.83Å; C20-C65 HydrophobicContact CB-CB 3.3Å; C20-C65 WeakPolarHBondContact CB-SG 3.36Å; C20-C65 WeakPolarHBondContact SG-CB 3.43Å; C20-C65 CovalentContact SG-SG 2.01Å; C20-C65 PolarHBondContact SG-SG 2.98Å; C20-R66 PolarHBondContact N-O 3.43Å
21	E	48.6	Very low	48.3	Very low	128 Å²	128	80.7 Å²	80.7	60%	0.598	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	102.8	176	-77.9	-152.2	80	0	0	110.1	D19 K71	D19-E21 VanDerWaalsContact C-N 3.3Å; D19-E21 PolarHBondContact O-N 3.02Å; D19-E21 VanDerWaalsContact OD1-CG 3.24Å; D19-E21 WeakPolarHBondContact OD1-CG 3.13Å; D19-E21 PolarHBondContact OD1-N 3.21Å; E21-K71 IonicContact OE1-NZ 2.92Å; E21-K71 PolarHBondContact OE1-NZ 3.32Å
22	G	45.1	Very low	47.6	Very low	28 Å²	28	75.1 Å²	75.1	29%	0.289	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	8.1	172.9	0	0	0	0	0	117	C20 C24	C20-G22 PolarHBondContact O-N 3.04Å; G22-C24 PolarHBondContact O-N 2.69Å
23	A	46.7	Very low	46.9	Very low	1 Å²	1	81 Å²	81	1%	0.008	44%	0.436	C	S	.	.			trans	-79.4	90	175.4	0	0	0	0	0	111.3	C20 H34 M53 Y55 C67	C20-A23 HydrophobicContact CB-CB 3.82Å; C20-A23 PolarHBondContact O-N 3.45Å; C20-A23 VanDerWaalsContact O-N 3.12Å; A23-H34 VanDerWaalsContact CB-CD2 3.5Å; A23-H34 WeakPolarHBondContact CB-CD2 3.44Å; A23-M53 WeakPolarHBondContact O-CE 3.35Å; A23-Y55 WeakPolarHBondContact CB-OH 3.15Å; A23-C67 WeakPolarHBondContact O-CB 3.37Å; A23-C67 PolarHBondContact O-SG 2.98Å
24	C	45.2	Very low	46.4	Very low	12 Å²	12	74.4 Å²	74.4	8%	0.081	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-71.1	145.3	-178.9	-63.3	0	0	0	0	113.4	G22 G26 C72	G22-C24 PolarHBondContact O-N 2.69Å; C24-G26 PolarHBondContact O-N 2.76Å; C24-C72 WeakPolarHBondContact CA-SG 3.27Å; C24-C72 HydrophobicContact CB-CB 3.51Å; C24-C72 WeakPolarHBondContact CB-SG 3.43Å; C24-C72 WeakPolarHBondContact SG-CA 3.45Å; C24-C72 WeakPolarHBondContact SG-CB 3.46Å; C24-C72 CovalentContact SG-SG 2Å; C24-C72 PolarHBondContact SG-SG 3.3Å
25	P	47.4	Very low	45.7	Very low	34 Å²	34	71.4 Å²	71.4	22%	0.221	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-58.4	117.3	175.5	21.6	-28.8	0	0	0	107.4	T46 M53 F77	P25-T46 HydrophobicContact CB-CG2 4.3Å; P25-M53 HydrophobicContact CB-CE 3.6Å; P25-M53 HydrophobicContact CG-CE 4.1Å; P25-F77 WeakPolarHBondContact O-CE1 3.1Å; P25-F77 WeakPolarHBondContact O-CZ 3.37Å
26	G	42.6	Very low	45.1	Very low	13 Å²	13	69.8 Å²	69.8	13%	0.134	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-76.7	157.1	151.9	0	0	0	0	0	107.9	C24 V32	C24-G26 PolarHBondContact O-N 2.76Å; G26-V32 VanDerWaalsContact N-CG2 3.29Å
27	F	37.4	Very low	44.4	Very low	146 Å²	146	74.3 Å²	74.3	64%	0.64	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-54.9	151.7	172.2	-107.3	-97.8	0	0	0	110	G29 E30 F77	F27-G29 PolarHBondContact O-N 3.01Å; F27-E30 HydrophobicContact CB-CG 4.14Å; F27-E30 PolarHBondContact N-OE2 2.9Å; F27-E30 WeakPolarHBondContact O-CB 3.29Å; F27-E30 PolarHBondContact O-N 3.23Å; F27-F77 HydrophobicContact CD2-CD1 4.14Å; F27-F77 HydrophobicContact CD2-CE1 4.49Å
28	L	41	Very low	43.9	Very low	118 Å²	118	72.4 Å²	72.4	62%	0.618	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	108.7	-177.6	-158.8	103.8	0	0	0	110
29	G	38.7	Very low	43.5	Very low	72 Å²	72	75.9 Å²	75.9	74%	0.742	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.1	-5.8	-176.7	0	0	0	0	0	115.8	F27	F27-G29 PolarHBondContact O-N 3.01Å
30	E	39.7	Very low	42.9	Very low	55 Å²	55	73.7 Å²	73.7	26%	0.257	42%	0.415	S	S	.	.			trans	-77	134.9	172.4	-68	-163.6	98.5	0	0	111.5	F27 V32	F27-E30 HydrophobicContact CB-CG 4.14Å; F27-E30 PolarHBondContact N-OE2 2.9Å; F27-E30 WeakPolarHBondContact O-CB 3.29Å; F27-E30 PolarHBondContact O-N 3.23Å; E30-V32 PolarHBondContact O-N 2.92Å
31	K	42.1	Very low	42.7	Very low	182 Å²	182	80.6 Å²	80.6	79%	0.791	45%	0.447	S	S	*	.			trans	-72.3	89.5	169.3	-69.3	-176.3	-178.2	-175.9	0	108.9	T33	K31-T33 PolarHBondContact O-N 3.04Å
32	V	44.1	Very low	42.6	Very low	34 Å²	34	75.9 Å²	75.9	21%	0.206	43%	0.428	C	S	.	.			trans	-72.5	121.8	167.1	-168.1	0	0	0	0	107.9	G26 E30 H34 I44	G26-V32 VanDerWaalsContact N-CG2 3.29Å; E30-V32 PolarHBondContact O-N 2.92Å; V32-H34 PolarHBondContact O-N 3.26Å; V32-I44 HydrophobicContact CB-CD1 3.38Å; V32-I44 HydrophobicContact CG2-CD1 3.82Å; V32-I44 WeakPolarHBondContact O-CD1 3.42Å
33	T	40.1	Very low	42.8	Very low	130 Å²	130	81.3 Å²	81.3	80%	0.798	44%	0.443	S	S	*	.			trans	-79.3	109.4	171.1	-54.6	0	0	0	0	107.6	K31	K31-T33 PolarHBondContact O-N 3.04Å
34	H	41.4	Very low	43	Very low	30 Å²	30	82 Å²	82	14%	0.139	45%	0.446	C	S	.	.			trans	-63.9	126.4	177.8	-158.7	-86.5	0	0	0	109.7	C20 A23 V32 A36 L38	C20-H34 WeakPolarHBondContact CB-NE2 3.24Å; C20-H34 PolarHBondContact SG-NE2 2.83Å; A23-H34 VanDerWaalsContact CB-CD2 3.5Å; A23-H34 WeakPolarHBondContact CB-CD2 3.44Å; V32-H34 PolarHBondContact O-N 3.26Å; H34-A36 VanDerWaalsContact C-N 3.32Å; H34-A36 WeakPolarHBondContact CE1-CB 3.24Å; H34-A36 WeakPolarHBondContact ND1-CA 3.22Å; H34-A36 VanDerWaalsContact ND1-CB 3.29Å; H34-A36 WeakPolarHBondContact ND1-CB 3.39Å; H34-A36 PolarHBondContact ND1-N 2.82Å; H34-A36 VanDerWaalsContact ND1-N 3.15Å; H34-A36 PolarHBondContact ND1-O 2.81Å; H34-L38 HydrophobicContact CB-CD1 4.18Å
35	P	41.2	Very low	43.4	Very low	101 Å²	101	82.8 Å²	82.8	66%	0.656	45%	0.449	S	S	*	.	S	Bend	trans	-71	-27.8	176.9	26.2	-32.3	0	0	0	112.3
36	A	41.7	Very low	43.4	Very low	51 Å²	51	82.7 Å²	82.7	42%	0.421	45%	0.447	S	S	.	.	S	Bend	trans	-78.5	132.3	169.2	0	0	0	0	0	109.3	H34 L38	H34-A36 VanDerWaalsContact C-N 3.32Å; H34-A36 WeakPolarHBondContact CE1-CB 3.24Å; H34-A36 WeakPolarHBondContact ND1-CA 3.22Å; H34-A36 VanDerWaalsContact ND1-CB 3.29Å; H34-A36 WeakPolarHBondContact ND1-CB 3.39Å; H34-A36 PolarHBondContact ND1-N 2.82Å; H34-A36 VanDerWaalsContact ND1-N 3.15Å; H34-A36 PolarHBondContact ND1-O 2.81Å; A36-L38 VanDerWaalsContact C-N 3.26Å; A36-L38 PolarHBondContact O-N 2.74Å
37	K	37.9	Very low	43.7	Very low	207 Å²	207	83.7 Å²	83.7	90%	0.9	45%	0.448	S	S	*	.			trans	-53.3	82.6	173.2	-79.9	168.5	165.9	172.9	0	111.6	P39	K37-P39 WeakPolarHBondContact O-CD 3.1Å
38	L	44.1	Very low	44.1	Very low	34 Å²	34	81.9 Å²	81.9	18%	0.178	45%	0.454	C	S	.	.			trans	-67.3	122.5	149.3	-69	175.1	0	0	0	104.6	H34 A36 F40 Y55	H34-L38 HydrophobicContact CB-CD1 4.18Å; A36-L38 VanDerWaalsContact C-N 3.26Å; A36-L38 PolarHBondContact O-N 2.74Å; L38-F40 HydrophobicContact CB-CD2 4.44Å; L38-F40 HydrophobicContact CB-CE1 4.49Å; L38-F40 HydrophobicContact CB-CE2 4.3Å; L38-F40 HydrophobicContact CB-CZ 4.33Å; L38-F40 HydrophobicContact CD1-CE2 4.21Å; L38-F40 HydrophobicContact CD1-CZ 4.46Å; L38-F40 HydrophobicContact CD2-CE1 4.27Å; L38-F40 HydrophobicContact CD2-CE2 4.41Å; L38-F40 HydrophobicContact CD2-CZ 3.86Å; L38-F40 HydrophobicContact CG-CZ 4.45Å; L38-F40 PolarHBondContact O-N 3.46Å; L38-Y55 HydrophobicContact CD1-CD1 4.05Å
39	P	41.9	Very low	44.3	Very low	127 Å²	127	83 Å²	83	83%	0.825	46%	0.459	S	S	*	.	S	Bend	trans	-69	8.6	-179.9	27.5	-32.9	0	0	0	112.9	K37	K37-P39 WeakPolarHBondContact O-CD 3.1Å
40	F	43.5	Very low	44.9	Very low	39 Å²	39	82.5 Å²	82.5	17%	0.171	44%	0.444	C	S	.	.	S	Bend	trans	-138.8	145.7	-174.5	54.1	-100.4	0	0	0	112.3	L38 S42 S57 Q63	L38-F40 HydrophobicContact CB-CD2 4.44Å; L38-F40 HydrophobicContact CB-CE1 4.49Å; L38-F40 HydrophobicContact CB-CE2 4.3Å; L38-F40 HydrophobicContact CB-CZ 4.33Å; L38-F40 HydrophobicContact CD1-CE2 4.21Å; L38-F40 HydrophobicContact CD1-CZ 4.46Å; L38-F40 HydrophobicContact CD2-CE1 4.27Å; L38-F40 HydrophobicContact CD2-CE2 4.41Å; L38-F40 HydrophobicContact CD2-CZ 3.86Å; L38-F40 HydrophobicContact CG-CZ 4.45Å; L38-F40 PolarHBondContact O-N 3.46Å; F40-S42 PolarHBondContact O-N 3.4Å; F40-S57 VanDerWaalsContact CG-CB 3.46Å; F40-Q63 HydrophobicContact CZ-CG 4.05Å
41	Q	46.5	Very low	45.7	Very low	151 Å²	151	84.1 Å²	84.1	71%	0.706	45%	0.454	S	S	*	.			trans	-70.6	123.1	165.8	-62	-148.2	34.7	0	0	109.1	T58	Q41-T58 PolarHBondContact O-N 3.08Å; Q41-T58 PolarHBondContact O-OG1 2.71Å
42	S	47.3	Very low	46.4	Very low	29 Å²	29	79.1 Å²	79.1	20%	0.203	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142	-178.5	41.9	0	0	0	0	112.6	F40 E56	F40-S42 PolarHBondContact O-N 3.4Å; S42-E56 CarbonylContact C-O 3.57Å; S42-E56 WeakPolarHBondContact CA-O 3.37Å; S42-E56 WeakPolarHBondContact CB-O 3.48Å
43	K	48.6	Very low	47.1	Very low	142 Å²	142	77.6 Å²	77.6	62%	0.617	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	126.8	163.2	-71.1	-178.8	179	174.8	0	107.5	F45 E56	K43-F45 HydrophobicContact CB-CE2 3.84Å; K43-F45 HydrophobicContact CB-CZ 3.76Å; K43-F45 HydrophobicContact CD-CZ 4.24Å; K43-E56 PolarHBondContact N-O 2.93Å; K43-E56 PolarHBondContact O-N 2.79Å
44	I	51.3	Low	47.9	Very low	14 Å²	14	71.6 Å²	71.6	7%	0.072	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.5	-176.1	-54.7	177.7	0	0	0	108.2	V32 M53 Y55	V32-I44 HydrophobicContact CB-CD1 3.38Å; V32-I44 HydrophobicContact CG2-CD1 3.82Å; V32-I44 WeakPolarHBondContact O-CD1 3.42Å; I44-M53 HydrophobicContact CG2-SD 4.32Å; I44-Y55 HydrophobicContact CB-CD1 4.48Å; I44-Y55 HydrophobicContact CB-CE1 4.36Å; I44-Y55 HydrophobicContact CD1-CD1 4.09Å; I44-Y55 HydrophobicContact CD1-CE1 3.54Å; I44-Y55 HydrophobicContact CG1-CD1 3.62Å; I44-Y55 HydrophobicContact CG1-CE1 3.54Å; I44-Y55 HydrophobicContact CG2-CD1 4.47Å; I44-Y55 HydrophobicContact CG2-CE1 4.04Å
45	F	52.5	Low	48.8	Very low	30 Å²	30	70.2 Å²	70.2	13%	0.132	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	105.8	173.4	-53.2	-72.7	0	0	0	108.4	M5 K43 F47 V54 E56	M5-F45 HydrophobicContact CE-CD1 3.58Å; M5-F45 HydrophobicContact CE-CE1 3.49Å; M5-F45 VanDerWaalsContact CE-CE1 3.49Å; M5-F45 HydrophobicContact CG-CB 4.41Å; M5-F45 HydrophobicContact CG-CD1 3.56Å; M5-F45 HydrophobicContact CG-CE1 3.94Å; M5-F45 HydrophobicContact CG-CG 4.02Å; M5-F45 HydrophobicContact SD-CD1 3.68Å; M5-F45 HydrophobicContact SD-CE1 4.18Å; K43-F45 HydrophobicContact CB-CE2 3.84Å; K43-F45 HydrophobicContact CB-CZ 3.76Å; K43-F45 HydrophobicContact CD-CZ 4.24Å; F45-F47 HydrophobicContact CB-CE2 4.47Å; F45-V54 PolarHBondContact N-O 2.73Å; F45-V54 PolarHBondContact O-N 3.33Å; F45-E56 HydrophobicContact CD2-CB 4.39Å; F45-E56 HydrophobicContact CE2-CB 3.84Å
46	T	47.5	Very low	49.5	Very low	31 Å²	31	67.9 Å²	67.9	19%	0.19	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	119.3	179.4	-55	0	0	0	0	110.2	P25 M53	P25-T46 HydrophobicContact CB-CG2 4.3Å; T46-M53 HydrophobicContact CG2-CE 4.26Å; T46-M53 HydrophobicContact CG2-CG 3.88Å
47	F	49.6	Very low	50.1	Low	35 Å²	35	65.6 Å²	65.6	15%	0.154	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	100.4	164.8	-67.6	-81.5	0	0	0	108.9	M5 L6 F45 I49 S50 R52 V54	M5-F47 HydrophobicContact CB-CE1 4.43Å; M5-F47 HydrophobicContact CB-CZ 3.86Å; M5-F47 WeakPolarHBondContact O-CZ 3.13Å; L6-F47 HydrophobicContact CB-CE1 4.34Å; L6-F47 HydrophobicContact CD2-CD1 4.09Å; L6-F47 HydrophobicContact CD2-CE1 3.85Å; L6-F47 HydrophobicContact CG-CE1 3.9Å; F45-F47 HydrophobicContact CB-CE2 4.47Å; F47-I49 PolarHBondContact O-N 3.17Å; F47-S50 PolarHBondContact O-N 2.84Å; F47-R52 CarbonylContact C-O 3.44Å; F47-R52 PolarHBondContact N-O 3.45Å; F47-R52 VanDerWaalsContact O-O 3.1Å; F47-V54 HydrophobicContact CD2-CB 4.33Å; F47-V54 HydrophobicContact CD2-CG2 3.61Å; F47-V54 HydrophobicContact CE2-CB 3.98Å; F47-V54 HydrophobicContact CE2-CG2 3.58Å
48	S	45.8	Very low	50.9	Low	108 Å²	108	61.6 Å²	61.6	76%	0.755	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-12.8	178.9	-164.8	0	0	0	0	113.8	S50	S48-S50 PolarHBondContact O-N 2.01Å
49	I	45.5	Very low	51.6	Low	141 Å²	141	65 Å²	65	72%	0.723	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.9	-176.3	-54.5	175.7	0	0	0	111.7	F47	F47-I49 PolarHBondContact O-N 3.17Å
50	S	51	Low	52.3	Low	61 Å²	61	61.2 Å²	61.2	43%	0.427	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.7	20.2	-175.4	-57.5	0	0	0	0	116	F47 S48 R52	F47-S50 PolarHBondContact O-N 2.84Å; S48-S50 PolarHBondContact O-N 2.01Å; S50-R52 PolarHBondContact O-N 3.28Å
51	N	56.1	Low	52.9	Low	90 Å²	90	62.2 Å²	62.2	48%	0.481	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	32.8	-170.1	-59.8	-75.6	0	0	0	112.3	C67 S69	N51-C67 PolarHBondContact O-N 3.06Å; N51-S69 PolarHBondContact OD1-OG 2.8Å
52	R	56.1	Low	53.5	Low	76 Å²	76	56 Å²	56	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136	-179.4	-65.5	176.4	-173.9	-142.1	-15.1	109.1	E17 F47 S50 I64	E17-R52 WeakPolarHBondContact OE1-CD 2.92Å; E17-R52 IonicContact OE1-CZ 3.16Å; E17-R52 IonicContact OE1-NE 3.34Å; E17-R52 PolarHBondContact OE1-NE 3.27Å; E17-R52 IonicContact OE1-NH1 3.31Å; E17-R52 PolarHBondContact OE1-NH1 3.49Å; E17-R52 IonicContact OE1-NH2 3.55Å; E17-R52 IonicContact OE2-CZ 3.26Å; E17-R52 VanDerWaalsContact OE2-CZ 3.26Å; E17-R52 IonicContact OE2-NH1 3.11Å; E17-R52 PolarHBondContact OE2-NH1 3.45Å; E17-R52 VanDerWaalsContact OE2-NH1 3.11Å; E17-R52 IonicContact OE2-NH2 3.09Å; E17-R52 PolarHBondContact OE2-NH2 3.41Å; E17-R52 VanDerWaalsContact OE2-NH2 3.09Å; F47-R52 CarbonylContact C-O 3.44Å; F47-R52 PolarHBondContact N-O 3.45Å; F47-R52 VanDerWaalsContact O-O 3.1Å; S50-R52 PolarHBondContact O-N 3.28Å; R52-I64 HydrophobicContact CB-CG2 4.48Å
53	M	59.2	Low	54	Low	3 Å²	3	57.7 Å²	57.7	2%	0.015	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.2	176.8	-73.5	174.6	-154.7	0	0	109	A23 P25 I44 T46 Y55 I64 C65 C67	A23-M53 WeakPolarHBondContact O-CE 3.35Å; P25-M53 HydrophobicContact CB-CE 3.6Å; P25-M53 HydrophobicContact CG-CE 4.1Å; I44-M53 HydrophobicContact CG2-SD 4.32Å; T46-M53 HydrophobicContact CG2-CE 4.26Å; T46-M53 HydrophobicContact CG2-CG 3.88Å; M53-Y55 HydrophobicContact CB-CD2 4.21Å; M53-Y55 HydrophobicContact CB-CE2 3.37Å; M53-Y55 HydrophobicContact SD-CE2 4.43Å; M53-Y55 PolarHBondContact SD-OH 2.99Å; M53-I64 CarbonylContact O-C 3.58Å; M53-I64 WeakPolarHBondContact O-CA 3.24Å; M53-C65 PolarHBondContact N-O 3.38Å; M53-C65 PolarHBondContact O-N 3.42Å; M53-C65 VanDerWaalsContact O-O 3.11Å; M53-C67 HydrophobicContact CE-CB 3.29Å; M53-C67 VanDerWaalsContact CE-SG 3.53Å; M53-C67 HydrophobicContact SD-CB 4.01Å
54	V	57.9	Low	54.5	Low	3 Å²	3	51.2 Å²	51.2	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.1	178	-175.9	0	0	0	0	107.4	I8 F45 F47 I62 Q63 I64	I8-V54 HydrophobicContact CG2-CG1 3.78Å; F45-V54 PolarHBondContact N-O 2.73Å; F45-V54 PolarHBondContact O-N 3.33Å; F47-V54 HydrophobicContact CD2-CB 4.33Å; F47-V54 HydrophobicContact CD2-CG2 3.61Å; F47-V54 HydrophobicContact CE2-CB 3.98Å; F47-V54 HydrophobicContact CE2-CG2 3.58Å; V54-I62 HydrophobicContact CG1-CG2 3.23Å; V54-Q63 CarbonylContact C-O 3.56Å; V54-I64 HydrophobicContact CG1-CG1 4.4Å; V54-I64 HydrophobicContact CG2-CD1 4.25Å; V54-I64 HydrophobicContact CG2-CG1 4.06Å; V54-I64 HydrophobicContact CG2-CG2 4.33Å
55	Y	60.1	Low	54.8	Low	1 Å²	1	50.5 Å²	50.5	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	116.4	-178.8	-64.3	-104.1	0	0	0	107.2	A23 L38 I44 M53 I62 Q63 C65	A23-Y55 WeakPolarHBondContact CB-OH 3.15Å; L38-Y55 HydrophobicContact CD1-CD1 4.05Å; I44-Y55 HydrophobicContact CB-CD1 4.48Å; I44-Y55 HydrophobicContact CB-CE1 4.36Å; I44-Y55 HydrophobicContact CD1-CD1 4.09Å; I44-Y55 HydrophobicContact CD1-CE1 3.54Å; I44-Y55 HydrophobicContact CG1-CD1 3.62Å; I44-Y55 HydrophobicContact CG1-CE1 3.54Å; I44-Y55 HydrophobicContact CG2-CD1 4.47Å; I44-Y55 HydrophobicContact CG2-CE1 4.04Å; M53-Y55 HydrophobicContact CB-CD2 4.21Å; M53-Y55 HydrophobicContact CB-CE2 3.37Å; M53-Y55 HydrophobicContact SD-CE2 4.43Å; M53-Y55 PolarHBondContact SD-OH 2.99Å; Y55-I62 CarbonylContact O-C 3.49Å; Y55-I62 VanDerWaalsContact O-CA 3.24Å; Y55-I62 WeakPolarHBondContact O-CA 3.36Å; Y55-Q63 PolarHBondContact N-O 3.34Å; Y55-Q63 PolarHBondContact O-N 3.09Å; Y55-C65 HydrophobicContact CD2-CB 3.96Å; Y55-C65 WeakPolarHBondContact CD2-SG 3.47Å; Y55-C65 HydrophobicContact CE2-CB 3.37Å; Y55-C65 WeakPolarHBondContact CE2-SG 3.31Å
56	E	55.4	Low	55	Low	52 Å²	52	54.9 Å²	54.9	24%	0.243	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.6	170.2	-175.1	175.6	77.3	0	0	108.6	S42 K43 F45 I62	S42-E56 CarbonylContact C-O 3.57Å; S42-E56 WeakPolarHBondContact CA-O 3.37Å; S42-E56 WeakPolarHBondContact CB-O 3.48Å; K43-E56 PolarHBondContact N-O 2.93Å; K43-E56 PolarHBondContact O-N 2.79Å; F45-E56 HydrophobicContact CD2-CB 4.39Å; F45-E56 HydrophobicContact CE2-CB 3.84Å; E56-I62 HydrophobicContact CB-CG1 4.05Å; E56-I62 HydrophobicContact CG-CG1 3.78Å
57	S	54.5	Low	55.4	Low	3 Å²	3	53.7 Å²	53.7	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	153.3	172.1	83.4	0	0	0	0	110.6	F40 S59 G60 S61	F40-S57 VanDerWaalsContact CG-CB 3.46Å; S57-S59 PolarHBondContact O-N 2.87Å; S57-S59 PolarHBondContact OG-N 3.01Å; S57-G60 PolarHBondContact O-N 3.35Å; S57-G60 PolarHBondContact OG-N 3.42Å; S57-S61 WeakPolarHBondContact CB-O 3.48Å; S57-S61 PolarHBondContact N-O 3.26Å; S57-S61 WeakPolarHBondContact OG-CA 3.28Å; S57-S61 WeakPolarHBondContact OG-CB 3.46Å; S57-S61 PolarHBondContact OG-N 2.9Å; S57-S61 PolarHBondContact OG-O 3.43Å; S57-S61 PolarHBondContact OG-OG 2.82Å
58	T	54.4	Low	55.4	Low	123 Å²	123	58.9 Å²	58.9	76%	0.755	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.7	173.7	-49	0	0	0	0	112.2	Q41 G60	Q41-T58 PolarHBondContact O-N 3.08Å; Q41-T58 PolarHBondContact O-OG1 2.71Å; T58-G60 VanDerWaalsContact C-N 3.26Å; T58-G60 PolarHBondContact O-N 3.49Å
59	S	58.2	Low	55.5	Low	105 Å²	105	56.3 Å²	56.3	73%	0.734	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	1.9	173.7	-49	0	0	0	0	113.7	S57 S61	S57-S59 PolarHBondContact O-N 2.87Å; S57-S59 PolarHBondContact OG-N 3.01Å; S59-S61 VanDerWaalsContact C-N 3.33Å
60	G	56.7	Low	55.2	Low	49 Å²	49	58 Å²	58	51%	0.505	31%	0.311	S	S	.	.	S	Bend	trans	80.8	8.7	-175.8	0	0	0	0	0	114.3	S57 T58 I62	S57-G60 PolarHBondContact O-N 3.35Å; S57-G60 PolarHBondContact OG-N 3.42Å; T58-G60 VanDerWaalsContact C-N 3.26Å; T58-G60 PolarHBondContact O-N 3.49Å; G60-I62 PolarHBondContact O-N 3.23Å
61	S	56.5	Low	54.7	Low	59 Å²	59	61.5 Å²	61.5	41%	0.413	32%	0.319	S	S	.	.			trans	-82	111.5	176.4	-41.4	0	0	0	0	109.6	S57 S59	S57-S61 WeakPolarHBondContact CB-O 3.48Å; S57-S61 PolarHBondContact N-O 3.26Å; S57-S61 WeakPolarHBondContact OG-CA 3.28Å; S57-S61 WeakPolarHBondContact OG-CB 3.46Å; S57-S61 PolarHBondContact OG-N 2.9Å; S57-S61 PolarHBondContact OG-O 3.43Å; S57-S61 PolarHBondContact OG-OG 2.82Å; S59-S61 VanDerWaalsContact C-N 3.33Å
62	I	59.7	Low	54.1	Low	22 Å²	22	57.8 Å²	57.8	11%	0.113	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.7	178.4	-59.5	152.4	0	0	0	109.7	I8 N12 K15 V54 Y55 E56 G60	I8-I62 HydrophobicContact CG1-CD1 4.46Å; I8-I62 HydrophobicContact CG2-CD1 3.79Å; I8-I62 HydrophobicContact CG2-CG1 4.23Å; I8-I62 HydrophobicContact CG2-CG2 3.95Å; N12-I62 HydrophobicContact CB-CG2 4.02Å; N12-I62 VanDerWaalsContact CG-CG2 3.49Å; N12-I62 WeakPolarHBondContact ND2-CD1 3.05Å; N12-I62 WeakPolarHBondContact ND2-CG2 3.49Å; K15-I62 VanDerWaalsContact CD-O 3.27Å; K15-I62 WeakPolarHBondContact CD-O 3.31Å; K15-I62 PolarHBondContact NZ-O 3.09Å; V54-I62 HydrophobicContact CG1-CG2 3.23Å; Y55-I62 CarbonylContact O-C 3.49Å; Y55-I62 VanDerWaalsContact O-CA 3.24Å; Y55-I62 WeakPolarHBondContact O-CA 3.36Å; E56-I62 HydrophobicContact CB-CG1 4.05Å; E56-I62 HydrophobicContact CG-CG1 3.78Å; G60-I62 PolarHBondContact O-N 3.23Å
63	Q	57.5	Low	53.2	Low	63 Å²	63	65 Å²	65	29%	0.294	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.6	172.1	-69.3	-168.7	-16.9	0	0	109.9	F40 V54 Y55	F40-Q63 HydrophobicContact CZ-CG 4.05Å; V54-Q63 CarbonylContact C-O 3.56Å; Y55-Q63 PolarHBondContact N-O 3.34Å; Y55-Q63 PolarHBondContact O-N 3.09Å
64	I	59.2	Low	52.1	Low	6 Å²	6	68.4 Å²	68.4	3%	0.031	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117	174	-53.4	-166.7	0	0	0	107	N12 E17 V18 R52 M53 V54	N12-I64 HydrophobicContact CB-CD1 3.87Å; N12-I64 HydrophobicContact CB-CG1 4.17Å; N12-I64 WeakPolarHBondContact O-CD1 3.45Å; E17-I64 CarbonylContact C-O 3.58Å; E17-I64 VanDerWaalsContact CA-O 3.31Å; E17-I64 WeakPolarHBondContact CA-O 3.39Å; E17-I64 HydrophobicContact CG-CB 4.36Å; E17-I64 HydrophobicContact CG-CG2 4.13Å; V18-I64 PolarHBondContact N-O 2.86Å; R52-I64 HydrophobicContact CB-CG2 4.48Å; M53-I64 CarbonylContact O-C 3.58Å; M53-I64 WeakPolarHBondContact O-CA 3.24Å; V54-I64 HydrophobicContact CG1-CG1 4.4Å; V54-I64 HydrophobicContact CG2-CD1 4.25Å; V54-I64 HydrophobicContact CG2-CG1 4.06Å; V54-I64 HydrophobicContact CG2-CG2 4.33Å
65	C	58.1	Low	51.2	Low	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	145	165.9	-55.6	0	0	0	0	112.1	V18 C20 M53 Y55	V18-C65 HydrophobicContact CG2-CB 4.44Å; V18-C65 VanDerWaalsContact O-CA 3.24Å; V18-C65 WeakPolarHBondContact O-CA 3.05Å; C20-C65 HydrophobicContact CB-CB 3.3Å; C20-C65 WeakPolarHBondContact CB-SG 3.36Å; C20-C65 WeakPolarHBondContact SG-CB 3.43Å; C20-C65 CovalentContact SG-SG 2.01Å; C20-C65 PolarHBondContact SG-SG 2.98Å; M53-C65 PolarHBondContact N-O 3.38Å; M53-C65 PolarHBondContact O-N 3.42Å; M53-C65 VanDerWaalsContact O-O 3.11Å; Y55-C65 HydrophobicContact CD2-CB 3.96Å; Y55-C65 WeakPolarHBondContact CD2-SG 3.47Å; Y55-C65 HydrophobicContact CE2-CB 3.37Å; Y55-C65 WeakPolarHBondContact CE2-SG 3.31Å
66	R	55.8	Low	49.9	Very low	122 Å²	122	83.5 Å²	83.5	46%	0.46	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.9	162.1	-159.1	168.2	171.4	-180	-5.5	108.9	V18 C20	V18-R66 PolarHBondContact O-N 3.3Å; V18-R66 VanDerWaalsContact O-N 3.08Å; C20-R66 PolarHBondContact N-O 3.43Å
67	C	56.2	Low	48.9	Very low	5 Å²	5	85.5 Å²	85.5	3%	0.034	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-99.5	127.1	175.6	170.6	0	0	0	0	109.5	A23 N51 M53 S69	A23-C67 WeakPolarHBondContact O-CB 3.37Å; A23-C67 PolarHBondContact O-SG 2.98Å; N51-C67 PolarHBondContact O-N 3.06Å; M53-C67 HydrophobicContact CE-CB 3.29Å; M53-C67 VanDerWaalsContact CE-SG 3.53Å; M53-C67 HydrophobicContact SD-CB 4.01Å; C67-S69 PolarHBondContact O-N 2.9Å
68	W	50.1	Low	48	Very low	144 Å²	144	89.4 Å²	89.4	55%	0.545	46%	0.464	S	S	.	.			trans	-86.9	97	168.3	-62.9	76.6	0	0	0	108.6	D19 F70 K71	D19-W68 PolarHBondContact OD2-NE1 3.38Å; W68-F70 PolarHBondContact O-N 3.11Å; W68-K71 PolarHBondContact O-N 3.31Å
69	S	47.6	Very low	46.7	Very low	55 Å²	55	95.1 Å²	95.1	39%	0.385	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-49.9	-19.4	176.8	-58.9	0	0	0	0	114	N51 C67 K71 C72	N51-S69 PolarHBondContact OD1-OG 2.8Å; C67-S69 PolarHBondContact O-N 2.9Å; S69-K71 PolarHBondContact O-N 2.8Å; S69-C72 WeakPolarHBondContact O-CB 3.21Å; S69-C72 PolarHBondContact O-N 3.2Å
70	F	39.5	Very low	45.6	Very low	176 Å²	176	94.5 Å²	94.5	77%	0.772	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-63.9	-32.6	176.4	-119.3	-93.2	0	0	0	114.4	W68 C72	W68-F70 PolarHBondContact O-N 3.11Å; F70-C72 PolarHBondContact O-N 3.3Å
71	K	40.8	Very low	44.2	Very low	134 Å²	134	101 Å²	101	58%	0.583	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-79.6	-3.9	178.7	-73.9	-165.8	178.5	178.6	0	113.1	E21 W68 S69	E21-K71 IonicContact OE1-NZ 2.92Å; E21-K71 PolarHBondContact OE1-NZ 3.32Å; W68-K71 PolarHBondContact O-N 3.31Å; S69-K71 PolarHBondContact O-N 2.8Å
72	C	41.9	Very low	42.8	Very low	13 Å²	13	109.2 Å²	109.2	9%	0.088	52%	0.524	C	S	.	.	G	3₁₀ helix	trans	-98.7	-3.8	-168.5	-58.6	0	0	0	0	116.4	C24 S69 F70 G74 F75	C24-C72 WeakPolarHBondContact CA-SG 3.27Å; C24-C72 HydrophobicContact CB-CB 3.51Å; C24-C72 WeakPolarHBondContact CB-SG 3.43Å; C24-C72 WeakPolarHBondContact SG-CA 3.45Å; C24-C72 WeakPolarHBondContact SG-CB 3.46Å; C24-C72 CovalentContact SG-SG 2Å; C24-C72 PolarHBondContact SG-SG 3.3Å; S69-C72 WeakPolarHBondContact O-CB 3.21Å; S69-C72 PolarHBondContact O-N 3.2Å; F70-C72 PolarHBondContact O-N 3.3Å; C72-G74 PolarHBondContact O-N 3.03Å; C72-F75 PolarHBondContact O-N 3.42Å
73	R	38	Very low	42	Very low	228 Å²	228	113.6 Å²	113.6	86%	0.86	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-14.9	179.4	-87.9	-178.4	162.2	-177.7	-4.8	114.7
74	G	36.4	Very low	41.2	Very low	74 Å²	74	116.2 Å²	116.2	76%	0.763	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-11.8	176.7	0	0	0	0	0	115.3	C72 Q76	C72-G74 PolarHBondContact O-N 3.03Å; G74-Q76 PolarHBondContact O-N 3.5Å
75	F	38.2	Very low	40.2	Very low	135 Å²	135	122.3 Å²	122.3	59%	0.592	59%	0.587	S	S	*	*			trans	-87.7	93.2	-178.5	-136	-98.7	0	0	0	109.2	C72 F77	C72-F75 PolarHBondContact O-N 3.42Å; F75-F77 VanDerWaalsContact O-CD2 3.27Å; F75-F77 WeakPolarHBondContact O-CD2 3.27Å; F75-F77 PolarHBondContact O-N 2.76Å
76	Q	32.6	Very low	39.1	Very low	186 Å²	186	129.5 Å²	129.5	87%	0.869	62%	0.621	S	S	*	*			trans	-67.8	97.9	171.1	-163.5	174.9	-73.2	0	0	107.8	G74 P78	G74-Q76 PolarHBondContact O-N 3.5Å; Q76-P78 VanDerWaalsContact O-CD 3.26Å; Q76-P78 WeakPolarHBondContact O-CD 3.2Å; Q76-P78 VanDerWaalsContact O-N 3.15Å
77	F	35.2	Very low	38.1	Very low	94 Å²	94	130 Å²	130	41%	0.412	63%	0.631	S	S	.	*			trans	-50.7	113.8	176.4	-61.4	-101.4	0	0	0	110.4	P25 F27 F75 R79	P25-F77 WeakPolarHBondContact O-CE1 3.1Å; P25-F77 WeakPolarHBondContact O-CZ 3.37Å; F27-F77 HydrophobicContact CD2-CD1 4.14Å; F27-F77 HydrophobicContact CD2-CE1 4.49Å; F75-F77 VanDerWaalsContact O-CD2 3.27Å; F75-F77 WeakPolarHBondContact O-CD2 3.27Å; F75-F77 PolarHBondContact O-N 2.76Å; F77-R79 PolarHBondContact O-N 2.79Å; F77-R79 VanDerWaalsContact O-N 3.16Å
78	P	34.8	Very low	36.9	Very low	84 Å²	84	138.3 Å²	138.3	55%	0.545	67%	0.671	S	S	.	*			trans	-69.5	114.3	168	27.4	-28.6	0	0	0	107.6	Q76 S80	Q76-P78 VanDerWaalsContact O-CD 3.26Å; Q76-P78 WeakPolarHBondContact O-CD 3.2Å; Q76-P78 VanDerWaalsContact O-N 3.15Å; P78-S80 PolarHBondContact O-N 3.13Å
79	R	28.1	Very low	35.9	Very low	244 Å²	244	137.9 Å²	137.9	92%	0.921	68%	0.68	S	S	*	*			trans	-50	114.6	171.9	-82.1	178.2	150.1	159.8	-6.4	108.6	F77 H81	F77-R79 PolarHBondContact O-N 2.79Å; F77-R79 VanDerWaalsContact O-N 3.16Å; R79-H81 PolarHBondContact O-N 2.91Å
80	S	35.2	Very low	35	Very low	92 Å²	92	144.3 Å²	144.3	64%	0.643	70%	0.703	S	S	*	*			trans	-55.4	119.5	174	-42.6	0	0	0	0	108.8	P78	P78-S80 PolarHBondContact O-N 3.13Å
81	H	26.7	Very low	34.7	Very low	186 Å²	186	141.7 Å²	141.7	86%	0.861	70%	0.697	S	S	*	*			trans	-94.6	116.4	177.8	-162.9	-78.5	0	0	0	107.8	R79	R79-H81 PolarHBondContact O-N 2.91Å
82	D	28	Very low	34.1	Very low	230 Å²	230	142.4 Å²	142.4	100%	1.23	71%	0.708	S	S	*	*			trans	52.1	0	169.5	-149.1	-123.8	0	0	0	118.3

Retrieved 82 of 82 residues in 25.8 ms (Link to these results)

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