G4M0D3_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession G4M0D3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 97 aa.

						>G4M0D3_SCHMA|G4M0D3
MPERRMLAIPNQKNGLAPHLSWHSPAEIVWCQLYPTELAASLCLCCSVQACKNNKHRANTSELRTDKRVKHPYRETCSGYERSKSLGRSFTDTFIAV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	50.6	Low	230 Å²	230	101 Å²	101	100%	1.133	51%	0.512	S	S	*	.				0	117.4	0	-68.4	-75.9	174.6	0	0	107.2	E3	M1-E3 PolarHBondContact O-N 3.42Å
2	P	52.3	Low	50.1	Low	107 Å²	107	106.4 Å²	106.4	70%	0.695	53%	0.534	S	S	*	.			trans	-66.8	118.5	174	26.2	-29.7	0	0	0	108.8	R4	P2-R4 PolarHBondContact O-N 3Å; P2-R4 VanDerWaalsContact O-N 3.09Å
3	E	55.1	Low	49.7	Very low	121 Å²	121	108.1 Å²	108.1	57%	0.565	54%	0.536	S	S	*	.			trans	-59.8	108.3	179.8	-174.8	-174.9	99.4	0	0	109.5	M1 R5 P25	M1-E3 PolarHBondContact O-N 3.42Å; E3-R5 IonicContact OE1-CZ 2.94Å; E3-R5 IonicContact OE1-NE 3.34Å; E3-R5 PolarHBondContact OE1-NE 3.33Å; E3-R5 IonicContact OE1-NH2 2.79Å; E3-R5 PolarHBondContact OE1-NH2 2.85Å; E3-P25 VanDerWaalsContact O-CD 3.27Å; E3-P25 WeakPolarHBondContact O-CD 3.38Å; E3-P25 WeakPolarHBondContact O-CG 3.37Å
4	R	55.5	Low	49.4	Very low	159 Å²	159	109.2 Å²	109.2	60%	0.6	55%	0.545	S	S	*	.			trans	-78.1	135.6	172.1	-69.8	-173.1	176.2	-168.2	-3.2	108.8	P2 W22 H23	P2-R4 PolarHBondContact O-N 3Å; P2-R4 VanDerWaalsContact O-N 3.09Å; R4-W22 HydrophobicContact CB-CE3 4.14Å; R4-W22 WeakPolarHBondContact O-CZ3 3.31Å; R4-H23 CarbonylContact C-O 3.56Å; R4-H23 VanDerWaalsContact CA-O 3.24Å; R4-H23 WeakPolarHBondContact CA-O 3.01Å
5	R	51.9	Low	48.8	Very low	145 Å²	145	107.7 Å²	107.7	55%	0.547	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.4	146.5	174.7	-55.9	176.7	174.2	176.4	-2.5	109.9	E3 H23 I28	E3-R5 IonicContact OE1-CZ 2.94Å; E3-R5 IonicContact OE1-NE 3.34Å; E3-R5 PolarHBondContact OE1-NE 3.33Å; E3-R5 IonicContact OE1-NH2 2.79Å; E3-R5 PolarHBondContact OE1-NH2 2.85Å; R5-H23 PolarHBondContact N-O 3.39Å; R5-H23 PolarHBondContact O-N 2.93Å; R5-I28 HydrophobicContact CB-CD1 3.62Å; R5-I28 HydrophobicContact CG-CD1 4.28Å
6	M	51.3	Low	48.3	Very low	89 Å²	89	107.4 Å²	107.4	44%	0.438	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.1	126.3	176	-169	176.4	-82.1	0	0	108.8	L20 S21 W22	M6-L20 HydrophobicContact CG-CB 4.09Å; M6-L20 HydrophobicContact CG-CD2 3.98Å; M6-L20 HydrophobicContact SD-CB 3.86Å; M6-L20 HydrophobicContact SD-CD1 4Å; M6-L20 HydrophobicContact SD-CD2 3.87Å; M6-L20 HydrophobicContact SD-CG 4.12Å; M6-S21 WeakPolarHBondContact CA-O 3.46Å; M6-W22 HydrophobicContact CB-CD2 4.4Å; M6-W22 HydrophobicContact CB-CE3 4.17Å; M6-W22 HydrophobicContact CB-CH2 4.46Å; M6-W22 HydrophobicContact CB-CZ3 4.2Å; M6-W22 HydrophobicContact CE-CD2 4.22Å; M6-W22 VanDerWaalsContact CE-CE2 3.46Å; M6-W22 HydrophobicContact CE-CH2 4.37Å; M6-W22 HydrophobicContact CE-CZ2 3.56Å
7	L	52.2	Low	47.9	Very low	42 Å²	42	106 Å²	106	22%	0.22	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	136.6	170.2	-75.2	175.7	0	0	0	110	L20 S21 H23 I28	L7-L20 WeakPolarHBondContact O-CA 3.45Å; L7-S21 PolarHBondContact N-O 2.94Å; L7-S21 PolarHBondContact O-N 3.17Å; L7-S21 VanDerWaalsContact O-N 3.07Å; L7-H23 HydrophobicContact CD1-CB 4.36Å; L7-I28 HydrophobicContact CD1-CB 4Å; L7-I28 HydrophobicContact CD1-CD1 4.43Å; L7-I28 HydrophobicContact CD1-CG1 3.57Å; L7-I28 HydrophobicContact CD1-CG2 3.98Å; L7-I28 HydrophobicContact CD2-CG1 4.49Å; L7-I28 HydrophobicContact CD2-CG2 4.15Å; L7-I28 HydrophobicContact CG-CD1 4.26Å; L7-I28 HydrophobicContact CG-CG1 3.92Å; L7-I28 HydrophobicContact CG-CG2 4.41Å
8	A	50.8	Low	48	Very low	59 Å²	59	104.2 Å²	104.2	49%	0.488	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.4	109.6	165.2	0	0	0	0	0	108.5	P10 P18 L20	A8-P10 WeakPolarHBondContact O-CD 3.43Å; A8-P18 HydrophobicContact CB-CB 4.05Å; A8-P18 HydrophobicContact CB-CG 4.46Å; A8-L20 HydrophobicContact CB-CD2 3.87Å
9	I	53.8	Low	48.2	Very low	16 Å²	16	101.8 Å²	101.8	8%	0.082	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.8	115.7	176.2	-56.2	168.8	0	0	0	107.8	N11 P18 H19 S21 C43	I9-N11 PolarHBondContact O-N 3.29Å; I9-P18 CarbonylContact O-C 3.54Å; I9-P18 VanDerWaalsContact O-CA 3.27Å; I9-P18 WeakPolarHBondContact O-CA 3.27Å; I9-H19 PolarHBondContact N-O 3.13Å; I9-H19 PolarHBondContact O-N 3.28Å; I9-S21 WeakPolarHBondContact CD1-OG 3.48Å; I9-C43 VanDerWaalsContact CD1-C 3.43Å; I9-C43 HydrophobicContact CD1-CB 3.42Å; I9-C43 VanDerWaalsContact CD1-CB 3.42Å; I9-C43 HydrophobicContact CG1-CB 4.31Å
10	P	47.8	Very low	48	Very low	86 Å²	86	101.9 Å²	101.9	56%	0.558	55%	0.552	S	S	*	*			trans	-65.3	126.6	177.5	24.7	-30.8	0	0	0	110.1	A8 Q12	A8-P10 WeakPolarHBondContact O-CD 3.43Å; P10-Q12 PolarHBondContact O-N 3.46Å; P10-Q12 VanDerWaalsContact O-N 3.17Å
11	N	48.9	Very low	48.2	Very low	57 Å²	57	97.2 Å²	97.2	31%	0.305	53%	0.527	S	S	.	.			trans	-81.5	94.4	175	-170.2	-25.7	0	0	0	109.1	I9 K13 L16	I9-N11 PolarHBondContact O-N 3.29Å; N11-K13 PolarHBondContact O-N 3.05Å; N11-K13 VanDerWaalsContact O-N 3.13Å; N11-K13 PolarHBondContact OD1-N 3.24Å; N11-L16 HydrophobicContact CB-CB 4.25Å
12	Q	44.8	Very low	48.9	Very low	166 Å²	166	93.4 Å²	93.4	78%	0.776	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-10.1	-175.3	-71.6	-143.2	-14.2	0	0	114.8	P10	P10-Q12 PolarHBondContact O-N 3.46Å; P10-Q12 VanDerWaalsContact O-N 3.17Å
13	K	44.2	Very low	49.2	Very low	128 Å²	128	88.3 Å²	88.3	56%	0.557	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-17.8	-170.9	-82.6	-179.3	171.9	154.7	0	116.6	N11 E37	N11-K13 PolarHBondContact O-N 3.05Å; N11-K13 VanDerWaalsContact O-N 3.13Å; N11-K13 PolarHBondContact OD1-N 3.24Å; K13-E37 WeakPolarHBondContact CE-OE1 3.41Å; K13-E37 VanDerWaalsContact NZ-CD 3.27Å; K13-E37 IonicContact NZ-OE1 2.79Å; K13-E37 PolarHBondContact NZ-OE1 3.44Å; K13-E37 IonicContact NZ-OE2 2.86Å; K13-E37 PolarHBondContact NZ-OE2 3.47Å
14	N	45.9	Very low	49.4	Very low	124 Å²	124	83.8 Å²	83.8	66%	0.663	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.7	13.7	-167.5	-85.8	71.2	0	0	0	117.2	L16	N14-L16 HydrophobicContact CB-CD1 3.6Å; N14-L16 HydrophobicContact CB-CG 3.83Å; N14-L16 PolarHBondContact O-N 3.08Å
15	G	39.6	Very low	49.5	Very low	86 Å²	86	79 Å²	79	89%	0.887	44%	0.438	S	S	*	.	S	Bend	trans	60	16.3	-175.2	0	0	0	0	0	113.4
16	L	41.4	Very low	49.8	Very low	103 Å²	103	75.3 Å²	75.3	54%	0.539	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-77.5	146.2	178.3	-74.6	165.3	0	0	0	109.4	N11 N14	N11-L16 HydrophobicContact CB-CB 4.25Å; N14-L16 HydrophobicContact CB-CD1 3.6Å; N14-L16 HydrophobicContact CB-CG 3.83Å; N14-L16 PolarHBondContact O-N 3.08Å
17	A	41.7	Very low	50.1	Low	84 Å²	84	72.7 Å²	72.7	69%	0.694	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-48.6	142.2	175.9	0	0	0	0	0	111.2	H19	A17-H19 PolarHBondContact O-N 2.86Å
18	P	49.6	Very low	50.4	Low	73 Å²	73	71.5 Å²	71.5	47%	0.474	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-57	136.7	178.9	24.2	-33.2	0	0	0	110.2	A8 I9 L20	A8-P18 HydrophobicContact CB-CB 4.05Å; A8-P18 HydrophobicContact CB-CG 4.46Å; I9-P18 CarbonylContact O-C 3.54Å; I9-P18 VanDerWaalsContact O-CA 3.27Å; I9-P18 WeakPolarHBondContact O-CA 3.27Å; P18-L20 PolarHBondContact O-N 2.66Å
19	H	50.8	Low	50.9	Low	59 Å²	59	72.2 Å²	72.2	27%	0.273	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.3	177.8	-176.8	-82.5	0	0	0	109	I9 A17 L44 S47	I9-H19 PolarHBondContact N-O 3.13Å; I9-H19 PolarHBondContact O-N 3.28Å; A17-H19 PolarHBondContact O-N 2.86Å; H19-L44 HydrophobicContact CB-CD2 3.75Å; H19-S47 PolarHBondContact CE1-OG 3.49Å; H19-S47 VanDerWaalsContact CE1-OG 3.28Å
20	L	45.7	Very low	51	Low	104 Å²	104	73.6 Å²	73.6	55%	0.545	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.9	174.9	-68.3	170	0	0	0	109.7	M6 L7 A8 P18	M6-L20 HydrophobicContact CG-CB 4.09Å; M6-L20 HydrophobicContact CG-CD2 3.98Å; M6-L20 HydrophobicContact SD-CB 3.86Å; M6-L20 HydrophobicContact SD-CD1 4Å; M6-L20 HydrophobicContact SD-CD2 3.87Å; M6-L20 HydrophobicContact SD-CG 4.12Å; L7-L20 WeakPolarHBondContact O-CA 3.45Å; A8-L20 HydrophobicContact CB-CD2 3.87Å; P18-L20 PolarHBondContact O-N 2.66Å
21	S	52.6	Low	51.4	Low	3 Å²	3	70.7 Å²	70.7	2%	0.021	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144	175.9	32.3	0	0	0	0	111.6	M6 L7 I9 H23	M6-S21 WeakPolarHBondContact CA-O 3.46Å; L7-S21 PolarHBondContact N-O 2.94Å; L7-S21 PolarHBondContact O-N 3.17Å; L7-S21 VanDerWaalsContact O-N 3.07Å; I9-S21 WeakPolarHBondContact CD1-OG 3.48Å; S21-H23 VanDerWaalsContact CB-NE2 3.34Å; S21-H23 WeakPolarHBondContact CB-NE2 3.37Å; S21-H23 PolarHBondContact O-CD2 2.79Å; S21-H23 PolarHBondContact OG-NE2 2.85Å
22	W	51.8	Low	51.8	Low	151 Å²	151	74.6 Å²	74.6	57%	0.572	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.1	173.6	-71.9	102.8	0	0	0	109.7	R4 M6	R4-W22 HydrophobicContact CB-CE3 4.14Å; R4-W22 WeakPolarHBondContact O-CZ3 3.31Å; M6-W22 HydrophobicContact CB-CD2 4.4Å; M6-W22 HydrophobicContact CB-CE3 4.17Å; M6-W22 HydrophobicContact CB-CH2 4.46Å; M6-W22 HydrophobicContact CB-CZ3 4.2Å; M6-W22 HydrophobicContact CE-CD2 4.22Å; M6-W22 VanDerWaalsContact CE-CE2 3.46Å; M6-W22 HydrophobicContact CE-CH2 4.37Å; M6-W22 HydrophobicContact CE-CZ2 3.56Å
23	H	58.3	Low	52.3	Low	0 Å²	0	72.3 Å²	72.3	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.1	-179.9	-67.9	-88.7	0	0	0	110.8	R4 R5 L7 S21 E27 I28 C43	R4-H23 CarbonylContact C-O 3.56Å; R4-H23 VanDerWaalsContact CA-O 3.24Å; R4-H23 WeakPolarHBondContact CA-O 3.01Å; R5-H23 PolarHBondContact N-O 3.39Å; R5-H23 PolarHBondContact O-N 2.93Å; L7-H23 HydrophobicContact CD1-CB 4.36Å; S21-H23 VanDerWaalsContact CB-NE2 3.34Å; S21-H23 WeakPolarHBondContact CB-NE2 3.37Å; S21-H23 PolarHBondContact O-CD2 2.79Å; S21-H23 PolarHBondContact OG-NE2 2.85Å; H23-E27 HydrophobicContact CB-CB 3.98Å; H23-I28 HydrophobicContact CB-CD1 4.19Å; H23-I28 HydrophobicContact CB-CG1 3.54Å; H23-C43 PolarHBondContact CE1-O 3.38Å; H23-C43 VanDerWaalsContact CE1-O 3.29Å
24	S	58.1	Low	52.8	Low	26 Å²	26	71.5 Å²	71.5	18%	0.182	41%	0.406	C	S	.	.			trans	-69.5	156.8	163.8	63.1	0	0	0	0	110.7	A26 E27 I28	S24-A26 PolarHBondContact O-N 2.84Å; S24-A26 VanDerWaalsContact O-N 3.13Å; S24-E27 WeakPolarHBondContact CB-OE2 3.46Å; S24-E27 PolarHBondContact N-OE2 2.73Å; S24-E27 WeakPolarHBondContact O-CB 3.34Å; S24-E27 PolarHBondContact O-N 3.15Å; S24-E27 VanDerWaalsContact OG-CG 3.3Å; S24-E27 WeakPolarHBondContact OG-CG 3.47Å; S24-E27 PolarHBondContact OG-N 2.91Å; S24-E27 PolarHBondContact OG-OE2 3Å; S24-I28 WeakPolarHBondContact O-CG1 3.45Å; S24-I28 PolarHBondContact O-N 3.44Å
25	P	58.5	Low	53.1	Low	57 Å²	57	71.5 Å²	71.5	37%	0.37	41%	0.413	S	S	.	.	H	α-helix	trans	-55.4	-34.3	179.2	-26.4	36.2	0	0	0	113.1	E3 I28 V29	E3-P25 VanDerWaalsContact O-CD 3.27Å; E3-P25 WeakPolarHBondContact O-CD 3.38Å; E3-P25 WeakPolarHBondContact O-CG 3.37Å; P25-I28 PolarHBondContact O-N 3.42Å; P25-V29 VanDerWaalsContact O-CG2 3.28Å; P25-V29 WeakPolarHBondContact O-CG2 3.26Å; P25-V29 PolarHBondContact O-N 3.11Å
26	A	57.4	Low	53.8	Low	69 Å²	69	71.2 Å²	71.2	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-65.6	-43.1	175.1	0	0	0	0	0	112.5	S24 I28 V29 W30	S24-A26 PolarHBondContact O-N 2.84Å; S24-A26 VanDerWaalsContact O-N 3.13Å; A26-I28 VanDerWaalsContact C-N 3.31Å; A26-I28 PolarHBondContact O-N 2.86Å; A26-V29 PolarHBondContact O-N 3.44Å; A26-W30 WeakPolarHBondContact O-CB 3.48Å; A26-W30 PolarHBondContact O-N 3.46Å
27	E	57.7	Low	54.2	Low	33 Å²	33	71.3 Å²	71.3	15%	0.154	39%	0.392	C	S	.	.	H	α-helix	trans	-64.6	-37.1	175.8	-72.2	166.7	124.6	0	0	111.3	H23 S24 W30 C31 C46	H23-E27 HydrophobicContact CB-CB 3.98Å; S24-E27 WeakPolarHBondContact CB-OE2 3.46Å; S24-E27 PolarHBondContact N-OE2 2.73Å; S24-E27 WeakPolarHBondContact O-CB 3.34Å; S24-E27 PolarHBondContact O-N 3.15Å; S24-E27 VanDerWaalsContact OG-CG 3.3Å; S24-E27 WeakPolarHBondContact OG-CG 3.47Å; S24-E27 PolarHBondContact OG-N 2.91Å; S24-E27 PolarHBondContact OG-OE2 3Å; E27-W30 PolarHBondContact O-N 3.36Å; E27-C31 PolarHBondContact O-N 2.89Å; E27-C31 PolarHBondContact O-SG 3.07Å; E27-C46 PolarHBondContact OE1-SG 2.86Å
28	I	60	Low	54.5	Low	17 Å²	17	71.6 Å²	71.6	9%	0.087	38%	0.381	C	S	.	.	H	α-helix	trans	-63.7	-50.1	176.9	-62.4	175.7	0	0	0	111	R5 L7 H23 S24 P25 A26 W30 C31 Q32	R5-I28 HydrophobicContact CB-CD1 3.62Å; R5-I28 HydrophobicContact CG-CD1 4.28Å; L7-I28 HydrophobicContact CD1-CB 4Å; L7-I28 HydrophobicContact CD1-CD1 4.43Å; L7-I28 HydrophobicContact CD1-CG1 3.57Å; L7-I28 HydrophobicContact CD1-CG2 3.98Å; L7-I28 HydrophobicContact CD2-CG1 4.49Å; L7-I28 HydrophobicContact CD2-CG2 4.15Å; L7-I28 HydrophobicContact CG-CD1 4.26Å; L7-I28 HydrophobicContact CG-CG1 3.92Å; L7-I28 HydrophobicContact CG-CG2 4.41Å; H23-I28 HydrophobicContact CB-CD1 4.19Å; H23-I28 HydrophobicContact CB-CG1 3.54Å; S24-I28 WeakPolarHBondContact O-CG1 3.45Å; S24-I28 PolarHBondContact O-N 3.44Å; P25-I28 PolarHBondContact O-N 3.42Å; A26-I28 VanDerWaalsContact C-N 3.31Å; A26-I28 PolarHBondContact O-N 2.86Å; I28-W30 PolarHBondContact O-N 3.01Å; I28-C31 PolarHBondContact O-N 3.47Å; I28-Q32 WeakPolarHBondContact O-CG 3.42Å; I28-Q32 PolarHBondContact O-N 3.48Å
29	V	60.8	Low	54.5	Low	75 Å²	75	68.2 Å²	68.2	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-58.8	-40.2	177.2	170.2	0	0	0	0	110.2	P25 A26 Q32 L33	P25-V29 VanDerWaalsContact O-CG2 3.28Å; P25-V29 WeakPolarHBondContact O-CG2 3.26Å; P25-V29 PolarHBondContact O-N 3.11Å; A26-V29 PolarHBondContact O-N 3.44Å; V29-Q32 PolarHBondContact O-N 3.33Å; V29-L33 HydrophobicContact CG1-CD1 3.59Å; V29-L33 HydrophobicContact CG1-CG 4.23Å; V29-L33 WeakPolarHBondContact O-CB 3.03Å; V29-L33 VanDerWaalsContact O-CG 3.26Å; V29-L33 WeakPolarHBondContact O-CG 3.37Å; V29-L33 PolarHBondContact O-N 3.45Å
30	W	56.2	Low	54.5	Low	44 Å²	44	67.2 Å²	67.2	17%	0.167	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-44.5	177.3	-151.3	77.9	0	0	0	112.5	A26 E27 I28 Q32 L33 Y34 L42 F90 T91	A26-W30 WeakPolarHBondContact O-CB 3.48Å; A26-W30 PolarHBondContact O-N 3.46Å; E27-W30 PolarHBondContact O-N 3.36Å; I28-W30 PolarHBondContact O-N 3.01Å; W30-Q32 PolarHBondContact O-N 3.33Å; W30-L33 PolarHBondContact O-N 3.28Å; W30-Y34 AromaticContact CD1-CE2 3.94Å; W30-Y34 HydrophobicContact CD2-CD2 4.12Å; W30-Y34 HydrophobicContact CD2-CE2 4.39Å; W30-Y34 AromaticContact CE2-CD2 3.95Å; W30-Y34 AromaticContact CE2-CE2 3.85Å; W30-Y34 HydrophobicContact CG-CD2 4.34Å; W30-Y34 HydrophobicContact CG-CE2 4.45Å; W30-Y34 HydrophobicContact CZ2-CD2 4.35Å; W30-Y34 HydrophobicContact CZ2-CE2 4.31Å; W30-Y34 AromaticContact NE1-CE2 3.53Å; W30-Y34 WeakPolarHBondContact O-CD2 3.2Å; W30-Y34 PolarHBondContact O-N 2.78Å; W30-L42 HydrophobicContact CH2-CD1 3.6Å; W30-L42 HydrophobicContact CZ3-CB 4.08Å; W30-L42 HydrophobicContact CZ3-CD1 3.58Å; W30-L42 HydrophobicContact CZ3-CG 4.38Å; W30-F90 HydrophobicContact CH2-CE1 4.34Å; W30-F90 HydrophobicContact CZ3-CE1 4.19Å; W30-T91 HydrophobicContact CG-CG2 4.28Å
31	C	56.3	Low	54.7	Low	26 Å²	26	62.4 Å²	62.4	18%	0.176	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-32.7	173.8	-62.8	0	0	0	0	112.8	E27 I28 C43	E27-C31 PolarHBondContact O-N 2.89Å; E27-C31 PolarHBondContact O-SG 3.07Å; I28-C31 PolarHBondContact O-N 3.47Å; C31-C43 VanDerWaalsContact CA-SG 3.58Å; C31-C43 HydrophobicContact CB-CB 4.31Å; C31-C43 WeakPolarHBondContact CB-SG 3.02Å; C31-C43 WeakPolarHBondContact SG-CB 3.3Å; C31-C43 CovalentContact SG-SG 2.01Å; C31-C43 PolarHBondContact SG-SG 2.89Å
32	Q	57.1	Low	54.7	Low	138 Å²	138	62.5 Å²	62.5	65%	0.645	34%	0.336	S	S	*	.	H	α-helix	trans	-79.3	-36.2	179.3	-73.8	178.6	-20.3	0	0	113	I28 V29 W30	I28-Q32 WeakPolarHBondContact O-CG 3.42Å; I28-Q32 PolarHBondContact O-N 3.48Å; V29-Q32 PolarHBondContact O-N 3.33Å; W30-Q32 PolarHBondContact O-N 3.33Å
33	L	55.6	Low	54.7	Low	119 Å²	119	55.5 Å²	55.5	62%	0.623	31%	0.311	S	S	*	.	H	α-helix	trans	-72.7	-28.5	-178.7	-76.9	168.2	0	0	0	113.1	V29 W30 P35	V29-L33 HydrophobicContact CG1-CD1 3.59Å; V29-L33 HydrophobicContact CG1-CG 4.23Å; V29-L33 WeakPolarHBondContact O-CB 3.03Å; V29-L33 VanDerWaalsContact O-CG 3.26Å; V29-L33 WeakPolarHBondContact O-CG 3.37Å; V29-L33 PolarHBondContact O-N 3.45Å; W30-L33 PolarHBondContact O-N 3.28Å; L33-P35 VanDerWaalsContact O-CD 3.28Å; L33-P35 WeakPolarHBondContact O-CD 3.18Å
34	Y	54.8	Low	54.3	Low	111 Å²	111	57.2 Å²	57.2	44%	0.435	32%	0.32	S	S	.	.			trans	-113.6	90.2	179.2	-63.8	-84.5	0	0	0	109	W30 T36 A39	W30-Y34 AromaticContact CD1-CE2 3.94Å; W30-Y34 HydrophobicContact CD2-CD2 4.12Å; W30-Y34 HydrophobicContact CD2-CE2 4.39Å; W30-Y34 AromaticContact CE2-CD2 3.95Å; W30-Y34 AromaticContact CE2-CE2 3.85Å; W30-Y34 HydrophobicContact CG-CD2 4.34Å; W30-Y34 HydrophobicContact CG-CE2 4.45Å; W30-Y34 HydrophobicContact CZ2-CD2 4.35Å; W30-Y34 HydrophobicContact CZ2-CE2 4.31Å; W30-Y34 AromaticContact NE1-CE2 3.53Å; W30-Y34 WeakPolarHBondContact O-CD2 3.2Å; W30-Y34 PolarHBondContact O-N 2.78Å; Y34-T36 PolarHBondContact O-N 2.93Å; Y34-A39 WeakPolarHBondContact O-CB 3.23Å
35	P	52.1	Low	54	Low	123 Å²	123	56.4 Å²	56.4	80%	0.799	31%	0.314	S	S	*	.			trans	-76.7	17.1	177.7	29.6	-34.8	0	0	0	113.8	L33	L33-P35 VanDerWaalsContact O-CD 3.28Å; L33-P35 WeakPolarHBondContact O-CD 3.18Å
36	T	53.8	Low	53.5	Low	80 Å²	80	54.3 Å²	54.3	49%	0.491	30%	0.3	S	S	.	.	S	Bend	trans	-79.5	154.2	-176.9	56.6	0	0	0	0	111.5	Y34 L38 A39 A40	Y34-T36 PolarHBondContact O-N 2.93Å; T36-L38 PolarHBondContact O-N 2.9Å; T36-A39 WeakPolarHBondContact O-CB 3.4Å; T36-A39 PolarHBondContact O-N 3.08Å; T36-A40 PolarHBondContact O-N 3.22Å
37	E	49.4	Very low	53.1	Low	105 Å²	105	52 Å²	52	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-49.6	-31.3	173.1	-73.1	-143.7	101.8	0	0	111.9	K13 A40 S41	K13-E37 WeakPolarHBondContact CE-OE1 3.41Å; K13-E37 VanDerWaalsContact NZ-CD 3.27Å; K13-E37 IonicContact NZ-OE1 2.79Å; K13-E37 PolarHBondContact NZ-OE1 3.44Å; K13-E37 IonicContact NZ-OE2 2.86Å; K13-E37 PolarHBondContact NZ-OE2 3.47Å; E37-A40 PolarHBondContact O-N 2.96Å; E37-S41 WeakPolarHBondContact O-CB 3.31Å; E37-S41 PolarHBondContact O-N 3.37Å; E37-S41 PolarHBondContact O-OG 2.87Å
38	L	48.7	Very low	52.6	Low	90 Å²	90	53.5 Å²	53.5	47%	0.471	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-41.6	177	-131.6	96.9	0	0	0	112.6	T36 S41 L42 P72	T36-L38 PolarHBondContact O-N 2.9Å; L38-S41 VanDerWaalsContact O-CB 3.3Å; L38-S41 WeakPolarHBondContact O-CB 3.36Å; L38-S41 PolarHBondContact O-N 2.76Å; L38-L42 HydrophobicContact CD2-CD1 4.35Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 2.74Å; L38-L42 WeakPolarHBondContact O-CD1 3.45Å; L38-L42 WeakPolarHBondContact O-CG 3.01Å; L38-L42 PolarHBondContact O-N 3.26Å; L38-P72 HydrophobicContact CD1-CB 4.32Å
39	A	49.1	Very low	51.9	Low	3 Å²	3	59.3 Å²	59.3	3%	0.025	32%	0.318	C	S	.	.	H	α-helix	trans	-71.7	-39.9	178.3	0	0	0	0	0	111.7	Y34 T36 S41 L42 C43	Y34-A39 WeakPolarHBondContact O-CB 3.23Å; T36-A39 WeakPolarHBondContact O-CB 3.4Å; T36-A39 PolarHBondContact O-N 3.08Å; A39-S41 VanDerWaalsContact C-N 3.27Å; A39-S41 PolarHBondContact O-N 3.2Å; A39-L42 CarbonylContact O-C 3.49Å; A39-L42 WeakPolarHBondContact O-CB 3.47Å; A39-L42 PolarHBondContact O-N 3.42Å; A39-L42 VanDerWaalsContact O-N 3.1Å; A39-C43 WeakPolarHBondContact O-CB 3.35Å; A39-C43 PolarHBondContact O-N 3.06Å; A39-C43 PolarHBondContact O-SG 3.35Å
40	A	50.9	Low	51.2	Low	37 Å²	37	56.1 Å²	56.1	31%	0.306	30%	0.3	S	S	.	.	H	α-helix	trans	-58.6	-43.2	172.1	0	0	0	0	0	111.1	T36 E37 L42 C43 L44	T36-A40 PolarHBondContact O-N 3.22Å; E37-A40 PolarHBondContact O-N 2.96Å; A40-L42 VanDerWaalsContact C-N 3.3Å; A40-L42 PolarHBondContact O-N 3.33Å; A40-C43 PolarHBondContact O-N 3.27Å; A40-L44 WeakPolarHBondContact O-CB 3.39Å; A40-L44 WeakPolarHBondContact O-CD1 3.11Å; A40-L44 WeakPolarHBondContact O-CG 3.49Å; A40-L44 PolarHBondContact O-N 2.93Å
41	S	50.5	Low	50.7	Low	4 Å²	4	54.3 Å²	54.3	3%	0.028	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-41.9	173.9	-54.4	0	0	0	0	112.3	E37 L38 A39 L44 C45 Y73	E37-S41 WeakPolarHBondContact O-CB 3.31Å; E37-S41 PolarHBondContact O-N 3.37Å; E37-S41 PolarHBondContact O-OG 2.87Å; L38-S41 VanDerWaalsContact O-CB 3.3Å; L38-S41 WeakPolarHBondContact O-CB 3.36Å; L38-S41 PolarHBondContact O-N 2.76Å; A39-S41 VanDerWaalsContact C-N 3.27Å; A39-S41 PolarHBondContact O-N 3.2Å; S41-L44 WeakPolarHBondContact O-CB 3.35Å; S41-C45 PolarHBondContact O-N 3.22Å; S41-C45 VanDerWaalsContact O-N 3.16Å; S41-C45 PolarHBondContact O-SG 3.49Å; S41-Y73 VanDerWaalsContact CB-CZ 3.44Å; S41-Y73 VanDerWaalsContact OG-CE1 3.26Å; S41-Y73 WeakPolarHBondContact OG-CE1 3.14Å; S41-Y73 WeakPolarHBondContact OG-CE2 3.13Å; S41-Y73 PolarHBondContact OG-OH 2.65Å
42	L	51.4	Low	50.3	Low	4 Å²	4	59.5 Å²	59.5	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-73.1	-39.6	-178.7	-81	168.4	0	0	0	113.2	W30 L38 A39 A40 L44 C45 C46 T76 F90	W30-L42 HydrophobicContact CH2-CD1 3.6Å; W30-L42 HydrophobicContact CZ3-CB 4.08Å; W30-L42 HydrophobicContact CZ3-CD1 3.58Å; W30-L42 HydrophobicContact CZ3-CG 4.38Å; L38-L42 HydrophobicContact CD2-CD1 4.35Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 2.74Å; L38-L42 WeakPolarHBondContact O-CD1 3.45Å; L38-L42 WeakPolarHBondContact O-CG 3.01Å; L38-L42 PolarHBondContact O-N 3.26Å; A39-L42 CarbonylContact O-C 3.49Å; A39-L42 WeakPolarHBondContact O-CB 3.47Å; A39-L42 PolarHBondContact O-N 3.42Å; A39-L42 VanDerWaalsContact O-N 3.1Å; A40-L42 VanDerWaalsContact C-N 3.3Å; A40-L42 PolarHBondContact O-N 3.33Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L42-C45 WeakPolarHBondContact O-CB 3.27Å; L42-C45 PolarHBondContact O-N 2.79Å; L42-C45 VanDerWaalsContact O-N 3.12Å; L42-C46 PolarHBondContact O-N 3.1Å; L42-C46 VanDerWaalsContact O-N 3.12Å; L42-T76 HydrophobicContact CD1-CG2 4.21Å; L42-T76 HydrophobicContact CD2-CG2 3.4Å; L42-T76 HydrophobicContact CG-CG2 3.86Å; L42-F90 HydrophobicContact CD2-CE1 3.66Å; L42-F90 HydrophobicContact CD2-CZ 3.35Å
43	C	51.1	Low	49.9	Very low	4 Å²	4	57.9 Å²	57.9	3%	0.027	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-32.8	175.2	-57.6	0	0	0	0	111.1	I9 H23 C31 A39 A40 C46	I9-C43 VanDerWaalsContact CD1-C 3.43Å; I9-C43 HydrophobicContact CD1-CB 3.42Å; I9-C43 VanDerWaalsContact CD1-CB 3.42Å; I9-C43 HydrophobicContact CG1-CB 4.31Å; H23-C43 PolarHBondContact CE1-O 3.38Å; H23-C43 VanDerWaalsContact CE1-O 3.29Å; C31-C43 VanDerWaalsContact CA-SG 3.58Å; C31-C43 HydrophobicContact CB-CB 4.31Å; C31-C43 WeakPolarHBondContact CB-SG 3.02Å; C31-C43 WeakPolarHBondContact SG-CB 3.3Å; C31-C43 CovalentContact SG-SG 2.01Å; C31-C43 PolarHBondContact SG-SG 2.89Å; A39-C43 WeakPolarHBondContact O-CB 3.35Å; A39-C43 PolarHBondContact O-N 3.06Å; A39-C43 PolarHBondContact O-SG 3.35Å; A40-C43 PolarHBondContact O-N 3.27Å; C43-C46 PolarHBondContact O-N 3.01Å
44	L	51.1	Low	49.6	Very low	37 Å²	37	56 Å²	56	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-40.6	168.1	-84.3	153.7	0	0	0	111.7	H19 A40 S41 L42 C46 S47 A50	H19-L44 HydrophobicContact CB-CD2 3.75Å; A40-L44 WeakPolarHBondContact O-CB 3.39Å; A40-L44 WeakPolarHBondContact O-CD1 3.11Å; A40-L44 WeakPolarHBondContact O-CG 3.49Å; A40-L44 PolarHBondContact O-N 2.93Å; S41-L44 WeakPolarHBondContact O-CB 3.35Å; L42-L44 VanDerWaalsContact C-N 3.31Å; L44-C46 PolarHBondContact O-N 3.4Å; L44-S47 PolarHBondContact O-N 2.98Å; L44-S47 PolarHBondContact O-OG 3.47Å; L44-A50 WeakPolarHBondContact O-CB 3.5Å
45	C	51	Low	49.2	Very low	8 Å²	8	55.3 Å²	55.3	5%	0.054	30%	0.299	C	S	.	.	H	α-helix	trans	-69.7	-24.4	178.4	-70.8	0	0	0	0	114.7	S41 L42 S47 C51 C77	S41-C45 PolarHBondContact O-N 3.22Å; S41-C45 VanDerWaalsContact O-N 3.16Å; S41-C45 PolarHBondContact O-SG 3.49Å; L42-C45 WeakPolarHBondContact O-CB 3.27Å; L42-C45 PolarHBondContact O-N 2.79Å; L42-C45 VanDerWaalsContact O-N 3.12Å; C45-S47 PolarHBondContact O-N 3.01Å; C45-S47 VanDerWaalsContact O-N 3.15Å; C45-C51 PolarHBondContact O-SG 2.61Å; C45-C77 PolarHBondContact SG-SG 2.97Å
46	C	49.4	Very low	48.9	Very low	13 Å²	13	56.3 Å²	56.3	9%	0.088	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.8	176.5	-76.2	0	0	0	0	113.9	E27 L42 C43 L44 V48 Y80	E27-C46 PolarHBondContact OE1-SG 2.86Å; L42-C46 PolarHBondContact O-N 3.1Å; L42-C46 VanDerWaalsContact O-N 3.12Å; C43-C46 PolarHBondContact O-N 3.01Å; L44-C46 PolarHBondContact O-N 3.4Å; C46-V48 PolarHBondContact O-N 2.9Å; C46-Y80 HydrophobicContact CB-CE2 4.36Å
47	S	48.4	Very low	48.5	Very low	20 Å²	20	60.2 Å²	60.2	14%	0.14	30%	0.298	C	S	.	.	S	Bend	trans	-86.3	106.1	166.2	68.4	0	0	0	0	109.2	H19 L44 C45 Q49 A50 C51	H19-S47 PolarHBondContact CE1-OG 3.49Å; H19-S47 VanDerWaalsContact CE1-OG 3.28Å; L44-S47 PolarHBondContact O-N 2.98Å; L44-S47 PolarHBondContact O-OG 3.47Å; C45-S47 PolarHBondContact O-N 3.01Å; C45-S47 VanDerWaalsContact O-N 3.15Å; S47-Q49 CarbonylContact O-C 3.59Å; S47-Q49 PolarHBondContact O-N 3.38Å; S47-A50 PolarHBondContact O-N 2.98Å; S47-A50 WeakPolarHBondContact OG-CB 3.42Å; S47-C51 PolarHBondContact O-N 3.13Å
48	V	47.4	Very low	48.3	Very low	66 Å²	66	57.6 Å²	57.6	40%	0.4	29%	0.294	S	S	.	.	H	α-helix	trans	-47.9	-28.1	176.8	177.5	0	0	0	0	112.3	C46 K52	C46-V48 PolarHBondContact O-N 2.9Å; V48-K52 PolarHBondContact O-N 2.01Å
49	Q	44.6	Very low	48	Very low	139 Å²	139	59 Å²	59	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-67.4	-42.7	173.7	-142.5	86	-3.3	0	0	113.2	S47 K52 N53	S47-Q49 CarbonylContact O-C 3.59Å; S47-Q49 PolarHBondContact O-N 3.38Å; Q49-K52 PolarHBondContact O-N 3.29Å; Q49-N53 WeakPolarHBondContact O-CB 3.39Å; Q49-N53 VanDerWaalsContact O-CG 3.31Å; Q49-N53 PolarHBondContact O-N 3.07Å
50	A	46.4	Very low	47.8	Very low	8 Å²	8	62 Å²	62	7%	0.066	32%	0.32	C	S	.	.	H	α-helix	trans	-74	-35.1	-179.9	0	0	0	0	0	112.8	L44 S47 K52 N53 N54	L44-A50 WeakPolarHBondContact O-CB 3.5Å; S47-A50 PolarHBondContact O-N 2.98Å; S47-A50 WeakPolarHBondContact OG-CB 3.42Å; A50-K52 VanDerWaalsContact C-N 3.29Å; A50-K52 PolarHBondContact O-N 3.44Å; A50-N53 PolarHBondContact O-N 3.12Å; A50-N54 VanDerWaalsContact O-CB 3.23Å; A50-N54 WeakPolarHBondContact O-CB 3.48Å; A50-N54 PolarHBondContact O-N 3.16Å; A50-N54 PolarHBondContact O-ND2 2.82Å; A50-N54 VanDerWaalsContact O-ND2 3.11Å
51	C	46.1	Very low	47.5	Very low	6 Å²	6	64.7 Å²	64.7	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-34.9	170.4	-82.9	0	0	0	0	111.1	C45 S47 K55 C77	C45-C51 PolarHBondContact O-SG 2.61Å; S47-C51 PolarHBondContact O-N 3.13Å; C51-K55 WeakPolarHBondContact O-CB 3.44Å; C51-K55 WeakPolarHBondContact O-CG 3.04Å; C51-K55 PolarHBondContact O-N 2.76Å; C51-C77 HydrophobicContact CB-CB 4.29Å; C51-C77 WeakPolarHBondContact CB-SG 3.49Å; C51-C77 WeakPolarHBondContact SG-CB 3.22Å; C51-C77 CovalentContact SG-SG 2.07Å; C51-C77 PolarHBondContact SG-SG 3.43Å
52	K	47.1	Very low	47.1	Very low	134 Å²	134	71.8 Å²	71.8	58%	0.583	37%	0.37	S	S	*	.	H	α-helix	trans	-69.4	-47.5	174.6	-79.8	-176.4	176.4	-176.6	0	112.5	V48 Q49 A50 N54 K55 H56	V48-K52 PolarHBondContact O-N 2.01Å; Q49-K52 PolarHBondContact O-N 3.29Å; A50-K52 VanDerWaalsContact C-N 3.29Å; A50-K52 PolarHBondContact O-N 3.44Å; K52-N54 VanDerWaalsContact C-N 3.33Å; K52-N54 PolarHBondContact O-N 2.92Å; K52-K55 PolarHBondContact O-N 3.02Å; K52-H56 PolarHBondContact O-CD2 3.15Å; K52-H56 PolarHBondContact O-N 3.09Å; K52-H56 VanDerWaalsContact O-N 3.08Å
53	N	49.1	Very low	46.5	Very low	104 Å²	104	75.6 Å²	75.6	56%	0.556	39%	0.39	S	S	*	.	H	α-helix	trans	-65.3	-37.4	179.9	-70.5	-7.1	0	0	0	111.9	Q49 A50 H56 R57	Q49-N53 WeakPolarHBondContact O-CB 3.39Å; Q49-N53 VanDerWaalsContact O-CG 3.31Å; Q49-N53 PolarHBondContact O-N 3.07Å; A50-N53 PolarHBondContact O-N 3.12Å; N53-H56 WeakPolarHBondContact O-CB 3.24Å; N53-H56 PolarHBondContact O-N 3.12Å; N53-R57 PolarHBondContact O-N 3.26Å
54	N	48.2	Very low	46	Very low	79 Å²	79	84 Å²	84	42%	0.422	42%	0.421	S	S	.	.	H	α-helix	trans	-83.3	-23.6	178	-69.5	-45.4	0	0	0	113.7	A50 K52 H56 R57 A58	A50-N54 VanDerWaalsContact O-CB 3.23Å; A50-N54 WeakPolarHBondContact O-CB 3.48Å; A50-N54 PolarHBondContact O-N 3.16Å; A50-N54 PolarHBondContact O-ND2 2.82Å; A50-N54 VanDerWaalsContact O-ND2 3.11Å; K52-N54 VanDerWaalsContact C-N 3.33Å; K52-N54 PolarHBondContact O-N 2.92Å; N54-H56 VanDerWaalsContact C-N 3.32Å; N54-R57 CarbonylContact O-C 3.57Å; N54-R57 PolarHBondContact O-N 3.3Å; N54-A58 VanDerWaalsContact O-CB 3.31Å; N54-A58 WeakPolarHBondContact O-CB 3.22Å; N54-A58 PolarHBondContact O-N 3.45Å
55	K	48	Very low	45.7	Very low	97 Å²	97	88.3 Å²	88.3	42%	0.422	45%	0.449	S	S	.	.	H	α-helix	trans	-64.4	-39.2	164.9	-84.3	178.4	179.3	-178.5	0	110.9	C51 K52 R57 N59 E81	C51-K55 WeakPolarHBondContact O-CB 3.44Å; C51-K55 WeakPolarHBondContact O-CG 3.04Å; C51-K55 PolarHBondContact O-N 2.76Å; K52-K55 PolarHBondContact O-N 3.02Å; K55-R57 VanDerWaalsContact C-N 3.32Å; K55-N59 WeakPolarHBondContact O-CB 3.24Å; K55-N59 PolarHBondContact O-N 3.17Å; K55-E81 IonicContact NZ-OE1 2.62Å; K55-E81 PolarHBondContact NZ-OE1 3.43Å; K55-E81 IonicContact NZ-OE2 2.9Å; K55-E81 PolarHBondContact NZ-OE2 3.22Å
56	H	45	Very low	45.1	Very low	145 Å²	145	92 Å²	92	67%	0.671	47%	0.468	S	S	*	.	H	α-helix	trans	-62.1	-41.2	170.3	-90.9	-82.4	0	0	0	111.6	K52 N53 N54 N59 T60	K52-H56 PolarHBondContact O-CD2 3.15Å; K52-H56 PolarHBondContact O-N 3.09Å; K52-H56 VanDerWaalsContact O-N 3.08Å; N53-H56 WeakPolarHBondContact O-CB 3.24Å; N53-H56 PolarHBondContact O-N 3.12Å; N54-H56 VanDerWaalsContact C-N 3.32Å; H56-N59 PolarHBondContact O-N 2.78Å; H56-T60 PolarHBondContact O-N 2.71Å; H56-T60 VanDerWaalsContact O-N 3.08Å
57	R	45.6	Very low	44.8	Very low	161 Å²	161	101.3 Å²	101.3	61%	0.608	51%	0.507	S	S	*	.	H	α-helix	trans	-74	-28.7	179.5	-145	177.5	-176.7	-173.3	0.4	114.8	N53 N54 K55 T60	N53-R57 PolarHBondContact O-N 3.26Å; N54-R57 CarbonylContact O-C 3.57Å; N54-R57 PolarHBondContact O-N 3.3Å; K55-R57 VanDerWaalsContact C-N 3.32Å; R57-T60 VanDerWaalsContact C-OG1 3.28Å; R57-T60 VanDerWaalsContact CA-OG1 3.31Å; R57-T60 WeakPolarHBondContact CA-OG1 3.35Å; R57-T60 PolarHBondContact O-N 3.31Å; R57-T60 PolarHBondContact O-OG1 3.47Å
58	A	44.3	Very low	44.3	Very low	50 Å²	50	111.6 Å²	111.6	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-75.4	-18.5	171.2	0	0	0	0	0	112.2	N54 L63	N54-A58 VanDerWaalsContact O-CB 3.31Å; N54-A58 WeakPolarHBondContact O-CB 3.22Å; N54-A58 PolarHBondContact O-N 3.45Å; A58-L63 HydrophobicContact CB-CD2 4.4Å
59	N	44.3	Very low	43.9	Very low	119 Å²	119	112.3 Å²	112.3	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-92.3	-15.9	175.2	-145.5	7.8	0	0	0	112.4	K55 H56	K55-N59 WeakPolarHBondContact O-CB 3.24Å; K55-N59 PolarHBondContact O-N 3.17Å; H56-N59 PolarHBondContact O-N 2.78Å
60	T	44.8	Very low	43.9	Very low	66 Å²	66	113.2 Å²	113.2	41%	0.405	55%	0.549	S	S	.	.	S	Bend	trans	-71.8	142.7	165.8	48.1	0	0	0	0	110.3	H56 R57 E62 L63	H56-T60 PolarHBondContact O-N 2.71Å; H56-T60 VanDerWaalsContact O-N 3.08Å; R57-T60 VanDerWaalsContact C-OG1 3.28Å; R57-T60 VanDerWaalsContact CA-OG1 3.31Å; R57-T60 WeakPolarHBondContact CA-OG1 3.35Å; R57-T60 PolarHBondContact O-N 3.31Å; R57-T60 PolarHBondContact O-OG1 3.47Å; T60-E62 PolarHBondContact O-N 2.07Å; T60-L63 PolarHBondContact O-N 2.99Å
61	S	43.1	Very low	43.8	Very low	95 Å²	95	116.6 Å²	116.6	66%	0.664	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-57.1	-8.4	-165.5	46.5	0	0	0	0	117	L63	S61-L63 VanDerWaalsContact C-N 3.34Å; S61-L63 PolarHBondContact O-N 3.05Å
62	E	42.8	Very low	43.8	Very low	153 Å²	153	118.7 Å²	118.7	72%	0.715	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-74.5	-16.5	-179	-70	-179.7	100.4	0	0	114.3	T60	T60-E62 PolarHBondContact O-N 2.07Å
63	L	38.7	Very low	43.8	Very low	84 Å²	84	115.7 Å²	115.7	44%	0.44	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-101.6	-3.3	176.7	-105.6	98.5	0	0	0	114.8	A58 T60 S61 T65	A58-L63 HydrophobicContact CB-CD2 4.4Å; T60-L63 PolarHBondContact O-N 2.99Å; S61-L63 VanDerWaalsContact C-N 3.34Å; S61-L63 PolarHBondContact O-N 3.05Å; L63-T65 VanDerWaalsContact C-N 3.25Å; L63-T65 PolarHBondContact O-N 2.91Å
64	R	41.4	Very low	43.7	Very low	181 Å²	181	120.7 Å²	120.7	68%	0.683	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-9.8	-177.4	-91.2	-177.1	175.8	159.3	1.1	114.3
65	T	44	Very low	43.7	Very low	127 Å²	127	121.8 Å²	121.8	78%	0.779	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-11.9	-173.7	25.3	0	0	0	0	114.6	L63	L63-T65 VanDerWaalsContact C-N 3.25Å; L63-T65 PolarHBondContact O-N 2.91Å
66	D	39.6	Very low	43.9	Very low	85 Å²	85	117.5 Å²	117.5	46%	0.455	56%	0.558	S	S	.	*			trans	-116.1	82.4	177.6	-148.6	-54.7	0	0	0	112.2	R68 V69	D66-R68 PolarHBondContact O-N 2.79Å; D66-R68 VanDerWaalsContact O-N 3.17Å; D66-R68 WeakPolarHBondContact OD1-CA 3.47Å; D66-R68 WeakPolarHBondContact OD1-CB 3.02Å; D66-R68 PolarHBondContact OD1-N 2.62Å; D66-V69 HydrophobicContact CB-CB 4.16Å; D66-V69 HydrophobicContact CB-CG2 4.22Å; D66-V69 VanDerWaalsContact OD1-CG2 3.24Å; D66-V69 WeakPolarHBondContact OD1-CG2 3.16Å; D66-V69 PolarHBondContact OD1-N 3.27Å
67	K	41.4	Very low	44.2	Very low	208 Å²	208	111.1 Å²	111.1	90%	0.904	53%	0.53	S	S	*	.	S	Bend	trans	-68.2	-2.4	172.7	-67.3	-175.8	-179.3	178.6	0	113
68	R	37.9	Very low	44.6	Very low	236 Å²	236	106.6 Å²	106.6	89%	0.891	52%	0.523	S	S	*	.	S	Bend	trans	-107.7	-23.2	-177.5	-67.2	-171.6	-178.8	-158.8	1.5	112.8	D66 K70	D66-R68 PolarHBondContact O-N 2.79Å; D66-R68 VanDerWaalsContact O-N 3.17Å; D66-R68 WeakPolarHBondContact OD1-CA 3.47Å; D66-R68 WeakPolarHBondContact OD1-CB 3.02Å; D66-R68 PolarHBondContact OD1-N 2.62Å; R68-K70 PolarHBondContact O-N 3.37Å
69	V	39.7	Very low	45.1	Very low	81 Å²	81	104.7 Å²	104.7	49%	0.491	51%	0.508	S	S	.	.			trans	-85.4	91.9	173.9	178.1	0	0	0	0	108.3	D66 H71	D66-V69 HydrophobicContact CB-CB 4.16Å; D66-V69 HydrophobicContact CB-CG2 4.22Å; D66-V69 VanDerWaalsContact OD1-CG2 3.24Å; D66-V69 WeakPolarHBondContact OD1-CG2 3.16Å; D66-V69 PolarHBondContact OD1-N 3.27Å; V69-H71 PolarHBondContact O-N 2.92Å
70	K	44.2	Very low	45.4	Very low	159 Å²	159	100.6 Å²	100.6	69%	0.691	48%	0.484	S	S	*	.			trans	-57.7	95.9	155.4	-82.7	-176.7	162.9	-146.2	0	107.1	R68 P72 E75	R68-K70 PolarHBondContact O-N 3.37Å; K70-P72 WeakPolarHBondContact O-CD 3.39Å; K70-P72 VanDerWaalsContact O-N 3.07Å; K70-E75 WeakPolarHBondContact CD-OE1 3.26Å; K70-E75 WeakPolarHBondContact CE-OE1 3.3Å; K70-E75 IonicContact NZ-OE1 2.88Å; K70-E75 PolarHBondContact NZ-OE1 3.19Å
71	H	44	Very low	45.9	Very low	78 Å²	78	101.6 Å²	101.6	36%	0.361	48%	0.484	S	S	.	.			trans	-64.7	115.5	-178.8	-150.7	-100	0	0	0	107.1	V69 Y73 R74	V69-H71 PolarHBondContact O-N 2.92Å; H71-Y73 AromaticContact CE1-CD2 3.02Å; H71-Y73 WeakPolarHBondContact CE1-CD2 3.41Å; H71-Y73 AromaticContact CE1-CE2 3.48Å; H71-Y73 VanDerWaalsContact CE1-CE2 3.48Å; H71-Y73 WeakPolarHBondContact CE1-CE2 3.28Å; H71-Y73 AromaticContact CE1-CG 3.65Å; H71-Y73 WeakPolarHBondContact ND1-CB 3.28Å; H71-Y73 AromaticContact ND1-CD2 3.04Å; H71-Y73 WeakPolarHBondContact ND1-CD2 3.3Å; H71-Y73 AromaticContact ND1-CE2 3.95Å; H71-Y73 AromaticContact ND1-CG 3.46Å; H71-Y73 PolarHBondContact O-N 3.02Å; H71-R74 PolarHBondContact O-N 3.06Å
72	P	45.8	Very low	46.5	Very low	51 Å²	51	105 Å²	105	33%	0.331	48%	0.483	S	S	.	.	H	α-helix	trans	-57.7	-22.3	-173.1	19.7	-30.5	0	0	0	111.6	L38 K70 R74 T76	L38-P72 HydrophobicContact CD1-CB 4.32Å; K70-P72 WeakPolarHBondContact O-CD 3.39Å; K70-P72 VanDerWaalsContact O-N 3.07Å; P72-R74 PolarHBondContact O-N 2.99Å; P72-T76 VanDerWaalsContact O-CB 3.31Å; P72-T76 WeakPolarHBondContact O-CB 3.43Å; P72-T76 WeakPolarHBondContact O-CG2 3.33Å; P72-T76 PolarHBondContact O-N 3.33Å; P72-T76 PolarHBondContact O-OG1 3.45Å
73	Y	47.9	Very low	46.9	Very low	71 Å²	71	97.9 Å²	97.9	28%	0.278	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-30.3	175.7	-62.3	-104	0	0	0	114.8	S41 H71 T76 C77	S41-Y73 VanDerWaalsContact CB-CZ 3.44Å; S41-Y73 VanDerWaalsContact OG-CE1 3.26Å; S41-Y73 WeakPolarHBondContact OG-CE1 3.14Å; S41-Y73 WeakPolarHBondContact OG-CE2 3.13Å; S41-Y73 PolarHBondContact OG-OH 2.65Å; H71-Y73 AromaticContact CE1-CD2 3.02Å; H71-Y73 WeakPolarHBondContact CE1-CD2 3.41Å; H71-Y73 AromaticContact CE1-CE2 3.48Å; H71-Y73 VanDerWaalsContact CE1-CE2 3.48Å; H71-Y73 WeakPolarHBondContact CE1-CE2 3.28Å; H71-Y73 AromaticContact CE1-CG 3.65Å; H71-Y73 WeakPolarHBondContact ND1-CB 3.28Å; H71-Y73 AromaticContact ND1-CD2 3.04Å; H71-Y73 WeakPolarHBondContact ND1-CD2 3.3Å; H71-Y73 AromaticContact ND1-CE2 3.95Å; H71-Y73 AromaticContact ND1-CG 3.46Å; H71-Y73 PolarHBondContact O-N 3.02Å; Y73-T76 WeakPolarHBondContact CA-OG1 3.27Å; Y73-T76 PolarHBondContact O-OG1 2.89Å; Y73-T76 VanDerWaalsContact O-OG1 3.05Å; Y73-C77 WeakPolarHBondContact O-CB 3.37Å; Y73-C77 PolarHBondContact O-N 3.39Å
74	R	46.9	Very low	47.6	Very low	208 Å²	208	100 Å²	100	79%	0.785	46%	0.455	S	S	*	.	H	α-helix	trans	-78.5	-41.7	-177.7	-166.9	179.5	-178.1	-160.6	0.1	111.3	H71 P72 T76 S78	H71-R74 PolarHBondContact O-N 3.06Å; P72-R74 PolarHBondContact O-N 2.99Å; R74-T76 VanDerWaalsContact C-N 3.31Å; R74-S78 VanDerWaalsContact O-CB 3.3Å; R74-S78 WeakPolarHBondContact O-CB 3.31Å; R74-S78 PolarHBondContact O-N 3.46Å
75	E	49.4	Very low	48.3	Very low	102 Å²	102	95.8 Å²	95.8	48%	0.477	45%	0.453	S	S	.	.	H	α-helix	trans	-67.7	-36.3	174.1	-66.6	-178.1	162.9	0	0	110.2	K70 G79	K70-E75 WeakPolarHBondContact CD-OE1 3.26Å; K70-E75 WeakPolarHBondContact CE-OE1 3.3Å; K70-E75 IonicContact NZ-OE1 2.88Å; K70-E75 PolarHBondContact NZ-OE1 3.19Å; E75-G79 PolarHBondContact O-N 2.92Å
76	T	50.5	Low	48.9	Very low	7 Å²	7	94.7 Å²	94.7	4%	0.043	44%	0.442	C	S	.	.	H	α-helix	trans	-72.4	-45.4	178.3	48.5	0	0	0	0	115.1	L42 P72 Y73 R74 S78 G79 Y80 F94	L42-T76 HydrophobicContact CD1-CG2 4.21Å; L42-T76 HydrophobicContact CD2-CG2 3.4Å; L42-T76 HydrophobicContact CG-CG2 3.86Å; P72-T76 VanDerWaalsContact O-CB 3.31Å; P72-T76 WeakPolarHBondContact O-CB 3.43Å; P72-T76 WeakPolarHBondContact O-CG2 3.33Å; P72-T76 PolarHBondContact O-N 3.33Å; P72-T76 PolarHBondContact O-OG1 3.45Å; Y73-T76 WeakPolarHBondContact CA-OG1 3.27Å; Y73-T76 PolarHBondContact O-OG1 2.89Å; Y73-T76 VanDerWaalsContact O-OG1 3.05Å; R74-T76 VanDerWaalsContact C-N 3.31Å; T76-S78 VanDerWaalsContact C-N 3.28Å; T76-S78 PolarHBondContact O-N 3.35Å; T76-G79 PolarHBondContact O-N 3.31Å; T76-Y80 PolarHBondContact O-N 2.88Å; T76-F94 HydrophobicContact CG2-CE1 3.64Å; T76-F94 HydrophobicContact CG2-CZ 4.08Å
77	C	52.3	Low	49.5	Very low	11 Å²	11	94.2 Å²	94.2	7%	0.074	46%	0.457	C	S	.	.	H	α-helix	trans	-59.8	-40.2	171.5	-86.6	0	0	0	0	111.3	C45 C51 Y73 Y80 E81	C45-C77 PolarHBondContact SG-SG 2.97Å; C51-C77 HydrophobicContact CB-CB 4.29Å; C51-C77 WeakPolarHBondContact CB-SG 3.49Å; C51-C77 WeakPolarHBondContact SG-CB 3.22Å; C51-C77 CovalentContact SG-SG 2.07Å; C51-C77 PolarHBondContact SG-SG 3.43Å; Y73-C77 WeakPolarHBondContact O-CB 3.37Å; Y73-C77 PolarHBondContact O-N 3.39Å; C77-Y80 PolarHBondContact O-N 3.41Å; C77-E81 WeakPolarHBondContact O-CG 3.45Å; C77-E81 PolarHBondContact O-N 3.31Å
78	S	53.8	Low	49.8	Very low	66 Å²	66	92.1 Å²	92.1	46%	0.462	44%	0.444	S	S	.	.	H	α-helix	trans	-65	-44.8	177.9	-173.3	0	0	0	0	111.2	R74 T76 Y80 E81 R82	R74-S78 VanDerWaalsContact O-CB 3.3Å; R74-S78 WeakPolarHBondContact O-CB 3.31Å; R74-S78 PolarHBondContact O-N 3.46Å; T76-S78 VanDerWaalsContact C-N 3.28Å; T76-S78 PolarHBondContact O-N 3.35Å; S78-Y80 VanDerWaalsContact C-N 3.32Å; S78-Y80 PolarHBondContact O-N 3.21Å; S78-E81 PolarHBondContact O-N 2.92Å; S78-R82 VanDerWaalsContact O-CB 3.27Å; S78-R82 WeakPolarHBondContact O-CB 3.13Å; S78-R82 PolarHBondContact O-N 3.25Å
79	G	53.9	Low	50.2	Low	10 Å²	10	83.7 Å²	83.7	10%	0.103	42%	0.421	C	S	.	.	H	α-helix	trans	-58.3	-42.8	173.3	0	0	0	0	0	112.1	E75 T76 R82 S83	E75-G79 PolarHBondContact O-N 2.92Å; T76-G79 PolarHBondContact O-N 3.31Å; G79-R82 WeakPolarHBondContact O-CB 3.48Å; G79-R82 PolarHBondContact O-N 3.4Å; G79-S83 PolarHBondContact O-N 3.09Å; G79-S83 PolarHBondContact O-OG 2.95Å
80	Y	51.4	Low	50.4	Low	34 Å²	34	81 Å²	81	13%	0.133	40%	0.403	C	S	.	.	H	α-helix	trans	-64.4	-49.4	178.4	-176.5	-92.7	0	0	0	112.8	C46 T76 C77 S78 R82 S83 K84 F90	C46-Y80 HydrophobicContact CB-CE2 4.36Å; T76-Y80 PolarHBondContact O-N 2.88Å; C77-Y80 PolarHBondContact O-N 3.41Å; S78-Y80 VanDerWaalsContact C-N 3.32Å; S78-Y80 PolarHBondContact O-N 3.21Å; Y80-R82 PolarHBondContact O-N 2.97Å; Y80-S83 PolarHBondContact O-N 3.46Å; Y80-K84 HydrophobicContact CE1-CD 4.31Å; Y80-K84 WeakPolarHBondContact O-CB 3.46Å; Y80-K84 PolarHBondContact O-N 3.31Å; Y80-F90 VanDerWaalsContact CB-CE2 3.41Å; Y80-F90 AromaticContact CD2-CD2 3.41Å; Y80-F90 HydrophobicContact CD2-CD2 3.41Å; Y80-F90 VanDerWaalsContact CD2-CD2 3.41Å; Y80-F90 AromaticContact CD2-CE2 3.58Å; Y80-F90 HydrophobicContact CD2-CE2 3.58Å; Y80-F90 HydrophobicContact CD2-CG 4.02Å; Y80-F90 HydrophobicContact CD2-CZ 4.33Å; Y80-F90 HydrophobicContact CE2-CD2 4.33Å; Y80-F90 HydrophobicContact CG-CD2 4.09Å; Y80-F90 AromaticContact CG-CE2 3.98Å; Y80-F90 HydrophobicContact CG-CE2 3.98Å
81	E	55	Low	50.4	Low	87 Å²	87	75.6 Å²	75.6	41%	0.407	38%	0.383	S	S	.	.	H	α-helix	trans	-58.6	-37.7	175.6	-75.1	178.7	147.8	0	0	110.8	K55 C77 S78 S85	K55-E81 IonicContact NZ-OE1 2.62Å; K55-E81 PolarHBondContact NZ-OE1 3.43Å; K55-E81 IonicContact NZ-OE2 2.9Å; K55-E81 PolarHBondContact NZ-OE2 3.22Å; C77-E81 WeakPolarHBondContact O-CG 3.45Å; C77-E81 PolarHBondContact O-N 3.31Å; S78-E81 PolarHBondContact O-N 2.92Å; E81-S85 WeakPolarHBondContact O-CB 3.38Å; E81-S85 PolarHBondContact O-N 2.74Å; E81-S85 PolarHBondContact O-OG 3.15Å
82	R	55.6	Low	50.1	Low	167 Å²	167	76.9 Å²	76.9	63%	0.63	39%	0.392	S	S	*	.	H	α-helix	trans	-68.3	-48	177.5	-152.9	173.6	-163.2	172.5	3.2	112	S78 G79 Y80 K84 S85 L86	S78-R82 VanDerWaalsContact O-CB 3.27Å; S78-R82 WeakPolarHBondContact O-CB 3.13Å; S78-R82 PolarHBondContact O-N 3.25Å; G79-R82 WeakPolarHBondContact O-CB 3.48Å; G79-R82 PolarHBondContact O-N 3.4Å; Y80-R82 PolarHBondContact O-N 2.97Å; R82-K84 VanDerWaalsContact C-N 3.3Å; R82-K84 PolarHBondContact O-N 2.83Å; R82-S85 WeakPolarHBondContact CA-OG 3.49Å; R82-S85 PolarHBondContact O-N 2.71Å; R82-S85 PolarHBondContact O-OG 2.9Å; R82-L86 HydrophobicContact CG-CD1 4.07Å; R82-L86 WeakPolarHBondContact O-CB 3.28Å; R82-L86 VanDerWaalsContact O-CG 3.28Å; R82-L86 WeakPolarHBondContact O-CG 3.39Å; R82-L86 PolarHBondContact O-N 2.88Å
83	S	51.9	Low	49.8	Very low	3 Å²	3	76.1 Å²	76.1	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-58.4	-44	175.6	-50.2	0	0	0	0	111.3	G79 Y80 L86 G87 R88 T93	G79-S83 PolarHBondContact O-N 3.09Å; G79-S83 PolarHBondContact O-OG 2.95Å; Y80-S83 PolarHBondContact O-N 3.46Å; S83-L86 CarbonylContact O-C 3.59Å; S83-L86 PolarHBondContact O-N 3.37Å; S83-G87 PolarHBondContact O-N 2.96Å; S83-G87 VanDerWaalsContact O-N 3.09Å; S83-R88 PolarHBondContact O-N 3.4Å; S83-T93 WeakPolarHBondContact OG-CB 3.34Å; S83-T93 PolarHBondContact OG-OG1 3.22Å
84	K	52.8	Low	49.3	Very low	129 Å²	129	75.4 Å²	75.4	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-63.7	-42.3	177.2	-169.9	179.4	-179.8	-178	0	112.2	Y80 R82 L86 G87	Y80-K84 HydrophobicContact CE1-CD 4.31Å; Y80-K84 WeakPolarHBondContact O-CB 3.46Å; Y80-K84 PolarHBondContact O-N 3.31Å; R82-K84 VanDerWaalsContact C-N 3.3Å; R82-K84 PolarHBondContact O-N 2.83Å; K84-L86 VanDerWaalsContact C-N 3.26Å; K84-L86 PolarHBondContact O-N 2.72Å; K84-G87 PolarHBondContact O-N 3.22Å
85	S	55.9	Low	48.7	Very low	92 Å²	92	71.8 Å²	71.8	64%	0.643	38%	0.38	S	S	*	.	H	α-helix	trans	-67.4	-28.1	176.8	70	0	0	0	0	113	E81 R82	E81-S85 WeakPolarHBondContact O-CB 3.38Å; E81-S85 PolarHBondContact O-N 2.74Å; E81-S85 PolarHBondContact O-OG 3.15Å; R82-S85 WeakPolarHBondContact CA-OG 3.49Å; R82-S85 PolarHBondContact O-N 2.71Å; R82-S85 PolarHBondContact O-OG 2.9Å
86	L	56	Low	47.7	Very low	103 Å²	103	70.9 Å²	70.9	54%	0.539	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.1	179.8	-69.2	169.7	0	0	0	113.4	R82 S83 K84 R88	R82-L86 HydrophobicContact CG-CD1 4.07Å; R82-L86 WeakPolarHBondContact O-CB 3.28Å; R82-L86 VanDerWaalsContact O-CG 3.28Å; R82-L86 WeakPolarHBondContact O-CG 3.39Å; R82-L86 PolarHBondContact O-N 2.88Å; S83-L86 CarbonylContact O-C 3.59Å; S83-L86 PolarHBondContact O-N 3.37Å; K84-L86 VanDerWaalsContact C-N 3.26Å; K84-L86 PolarHBondContact O-N 2.72Å; L86-R88 HydrophobicContact CB-CB 4.38Å; L86-R88 HydrophobicContact CB-CG 4.02Å; L86-R88 PolarHBondContact O-N 3.25Å; L86-R88 VanDerWaalsContact O-N 3.16Å
87	G	52.8	Low	46.8	Very low	75 Å²	75	79.3 Å²	79.3	77%	0.773	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	19	-173.2	0	0	0	0	0	113.6	S83 K84	S83-G87 PolarHBondContact O-N 2.96Å; S83-G87 VanDerWaalsContact O-N 3.09Å; K84-G87 PolarHBondContact O-N 3.22Å
88	R	48	Very low	46.6	Very low	165 Å²	165	82.8 Å²	82.8	62%	0.623	46%	0.46	S	S	*	.			trans	-93.3	146.4	-178.2	-70.8	-173.9	-179.9	-157.3	-1.1	110.1	S83 L86 F90	S83-R88 PolarHBondContact O-N 3.4Å; L86-R88 HydrophobicContact CB-CB 4.38Å; L86-R88 HydrophobicContact CB-CG 4.02Å; L86-R88 PolarHBondContact O-N 3.25Å; L86-R88 VanDerWaalsContact O-N 3.16Å; R88-F90 PolarHBondContact O-N 2.95Å
89	S	46.9	Very low	46.2	Very low	59 Å²	59	83.6 Å²	83.6	41%	0.413	46%	0.46	S	S	.	.			trans	-58.1	137.4	169.8	-174.2	0	0	0	0	108.9	T91 D92	S89-T91 WeakPolarHBondContact CB-OG1 3.43Å; S89-T91 PolarHBondContact O-N 3.44Å; S89-T91 VanDerWaalsContact O-N 3.15Å; S89-T91 PolarHBondContact OG-OG1 3.42Å; S89-D92 WeakPolarHBondContact CB-OD2 3.27Å; S89-D92 PolarHBondContact O-N 3.16Å; S89-D92 VanDerWaalsContact O-N 3.08Å
90	F	44	Very low	45.7	Very low	24 Å²	24	87.7 Å²	87.7	11%	0.105	48%	0.48	C	S	.	.	H	α-helix	trans	-55.6	-31.7	176.6	-172.6	-108.8	0	0	0	111.7	W30 L42 Y80 R88 D92 T93 F94	W30-F90 HydrophobicContact CH2-CE1 4.34Å; W30-F90 HydrophobicContact CZ3-CE1 4.19Å; L42-F90 HydrophobicContact CD2-CE1 3.66Å; L42-F90 HydrophobicContact CD2-CZ 3.35Å; Y80-F90 VanDerWaalsContact CB-CE2 3.41Å; Y80-F90 AromaticContact CD2-CD2 3.41Å; Y80-F90 HydrophobicContact CD2-CD2 3.41Å; Y80-F90 VanDerWaalsContact CD2-CD2 3.41Å; Y80-F90 AromaticContact CD2-CE2 3.58Å; Y80-F90 HydrophobicContact CD2-CE2 3.58Å; Y80-F90 HydrophobicContact CD2-CG 4.02Å; Y80-F90 HydrophobicContact CD2-CZ 4.33Å; Y80-F90 HydrophobicContact CE2-CD2 4.33Å; Y80-F90 HydrophobicContact CG-CD2 4.09Å; Y80-F90 AromaticContact CG-CE2 3.98Å; Y80-F90 HydrophobicContact CG-CE2 3.98Å; R88-F90 PolarHBondContact O-N 2.95Å; F90-D92 PolarHBondContact O-N 3.29Å; F90-T93 PolarHBondContact O-N 2.9Å; F90-F94 HydrophobicContact CD1-CD2 4.32Å; F90-F94 HydrophobicContact CD2-CD2 4.15Å; F90-F94 HydrophobicContact CD2-CE2 4.02Å; F90-F94 AromaticContact CE1-CD2 3.77Å; F90-F94 HydrophobicContact CE1-CD2 3.77Å; F90-F94 HydrophobicContact CE1-CE2 4.03Å; F90-F94 HydrophobicContact CE1-CG 4.44Å; F90-F94 AromaticContact CE2-CD2 3.58Å; F90-F94 HydrophobicContact CE2-CD2 3.58Å; F90-F94 AromaticContact CE2-CE2 3.14Å; F90-F94 HydrophobicContact CE2-CE2 3.14Å; F90-F94 HydrophobicContact CE2-CZ 4.08Å; F90-F94 HydrophobicContact CG-CD2 4.49Å; F90-F94 AromaticContact CZ-CD2 3.35Å; F90-F94 HydrophobicContact CZ-CD2 3.35Å; F90-F94 AromaticContact CZ-CE2 3.13Å; F90-F94 HydrophobicContact CZ-CE2 3.13Å; F90-F94 HydrophobicContact CZ-CG 4.25Å; F90-F94 AromaticContact CZ-CZ 3.86Å; F90-F94 HydrophobicContact CZ-CZ 3.86Å
91	T	43.7	Very low	45.4	Very low	46 Å²	46	90.9 Å²	90.9	28%	0.282	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-37.3	177.1	56.1	0	0	0	0	113.5	W30 S89 T93 I95	W30-T91 HydrophobicContact CG-CG2 4.28Å; S89-T91 WeakPolarHBondContact CB-OG1 3.43Å; S89-T91 PolarHBondContact O-N 3.44Å; S89-T91 VanDerWaalsContact O-N 3.15Å; S89-T91 PolarHBondContact OG-OG1 3.42Å; T91-T93 PolarHBondContact O-N 3.08Å; T91-I95 WeakPolarHBondContact O-CD1 3.29Å; T91-I95 VanDerWaalsContact O-CG1 3.29Å; T91-I95 WeakPolarHBondContact O-CG1 3.38Å; T91-I95 PolarHBondContact O-N 3.33Å
92	D	36.7	Very low	44.8	Very low	104 Å²	104	91.1 Å²	91.1	56%	0.556	51%	0.506	S	S	*	.	H	α-helix	trans	-69.1	-23.5	179.8	-78.4	-77.4	0	0	0	112.8	S89 F90	S89-D92 WeakPolarHBondContact CB-OD2 3.27Å; S89-D92 PolarHBondContact O-N 3.16Å; S89-D92 VanDerWaalsContact O-N 3.08Å; F90-D92 PolarHBondContact O-N 3.29Å
93	T	39.4	Very low	44.1	Very low	36 Å²	36	86.1 Å²	86.1	22%	0.221	50%	0.498	C	S	.	.	H	α-helix	trans	-89.1	-24.4	-174.3	-50.9	0	0	0	0	112.3	S83 F90 T91	S83-T93 WeakPolarHBondContact OG-CB 3.34Å; S83-T93 PolarHBondContact OG-OG1 3.22Å; F90-T93 PolarHBondContact O-N 2.9Å; T91-T93 PolarHBondContact O-N 3.08Å
94	F	37.6	Very low	43.5	Very low	55 Å²	55	92 Å²	92	24%	0.241	53%	0.532	C	S	.	.	H	α-helix	trans	-98.8	-12.7	-178.7	-80.7	-88.1	0	0	0	114.5	T76 F90 A96	T76-F94 HydrophobicContact CG2-CE1 3.64Å; T76-F94 HydrophobicContact CG2-CZ 4.08Å; F90-F94 HydrophobicContact CD1-CD2 4.32Å; F90-F94 HydrophobicContact CD2-CD2 4.15Å; F90-F94 HydrophobicContact CD2-CE2 4.02Å; F90-F94 AromaticContact CE1-CD2 3.77Å; F90-F94 HydrophobicContact CE1-CD2 3.77Å; F90-F94 HydrophobicContact CE1-CE2 4.03Å; F90-F94 HydrophobicContact CE1-CG 4.44Å; F90-F94 AromaticContact CE2-CD2 3.58Å; F90-F94 HydrophobicContact CE2-CD2 3.58Å; F90-F94 AromaticContact CE2-CE2 3.14Å; F90-F94 HydrophobicContact CE2-CE2 3.14Å; F90-F94 HydrophobicContact CE2-CZ 4.08Å; F90-F94 HydrophobicContact CG-CD2 4.49Å; F90-F94 AromaticContact CZ-CD2 3.35Å; F90-F94 HydrophobicContact CZ-CD2 3.35Å; F90-F94 AromaticContact CZ-CE2 3.13Å; F90-F94 HydrophobicContact CZ-CE2 3.13Å; F90-F94 HydrophobicContact CZ-CG 4.25Å; F90-F94 AromaticContact CZ-CZ 3.86Å; F90-F94 HydrophobicContact CZ-CZ 3.86Å; F94-A96 VanDerWaalsContact C-N 3.3Å
95	I	34.2	Very low	42.8	Very low	132 Å²	132	89.2 Å²	89.2	68%	0.677	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.4	172.6	-63.5	168.8	0	0	0	111.5	T91	T91-I95 WeakPolarHBondContact O-CD1 3.29Å; T91-I95 VanDerWaalsContact O-CG1 3.29Å; T91-I95 WeakPolarHBondContact O-CG1 3.38Å; T91-I95 PolarHBondContact O-N 3.33Å
96	A	28.5	Very low	41.7	Very low	84 Å²	84	88.9 Å²	88.9	69%	0.694	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	16.3	-174.3	0	0	0	0	0	115.3	F94	F94-A96 VanDerWaalsContact C-N 3.3Å
97	V	32.7	Very low	40.4	Very low	184 Å²	184	87.6 Å²	87.6	100%	1.115	52%	0.518	S	S	*	.			trans	-118.4	0	177.3	-175.3	0	0	0	0	110.7

Retrieved 97 of 97 residues in 19.5 ms (Link to these results)

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