A0A077Z7P6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7P6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 89 aa.

						>A0A077Z7P6_TRITR|A0A077Z7P6
MQIYVECIALSGRKSFDLNGAVQVGPIGNDNLRAWWWSRNVQSNNGPLETNIQDGRRRVVEPEADDSFTGFLASLCLAAAPQAENRSGP
					

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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	46.4	Very low	48.6	Very low	131 Å²	131	51.5 Å²	51.5	65%	0.645	27%	0.269	S	S	*	.				0	111.6	0	170.8	170.4	149.9	0	0	106.3	I3 N19 S38 N40 V41	M1-I3 HydrophobicContact CE-CD1 3.94Å; M1-I3 HydrophobicContact CE-CG1 4.04Å; M1-I3 HydrophobicContact CG-CG1 4.26Å; M1-N19 PolarHBondContact O-OD1 3.17Å; M1-S38 WeakPolarHBondContact CG-OG 2.95Å; M1-N40 HydrophobicContact CG-CB 4.47Å; M1-V41 HydrophobicContact CE-CG2 3.9Å; M1-V41 HydrophobicContact SD-CG2 3.85Å
2	Q	46.6	Very low	48	Very low	75 Å²	75	50.4 Å²	50.4	35%	0.35	28%	0.28	S	S	.	.			trans	-86.3	115.4	-176.3	-72.6	-174	-28.1	0	0	111.2	Y4 N19 S38 R39	Q2-Y4 HydrophobicContact CB-CE2 3.67Å; Q2-Y4 VanDerWaalsContact CD-OH 3.32Å; Q2-Y4 PolarHBondContact OE1-OH 2.98Å; Q2-N19 WeakPolarHBondContact CA-ND2 3.27Å; Q2-N19 VanDerWaalsContact CB-ND2 3.35Å; Q2-N19 WeakPolarHBondContact CB-ND2 3.46Å; Q2-N19 WeakPolarHBondContact CG-ND2 3.04Å; Q2-S38 VanDerWaalsContact O-CA 3.3Å; Q2-S38 WeakPolarHBondContact O-CA 3.44Å; Q2-R39 PolarHBondContact O-N 2.62Å; Q2-R39 VanDerWaalsContact O-N 3.09Å
3	I	48.1	Very low	48.1	Very low	29 Å²	29	59.4 Å²	59.4	15%	0.149	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.1	178.4	-48.9	174.3	0	0	0	109.3	M1 L18 N19 F68	M1-I3 HydrophobicContact CE-CD1 3.94Å; M1-I3 HydrophobicContact CE-CG1 4.04Å; M1-I3 HydrophobicContact CG-CG1 4.26Å; I3-L18 HydrophobicContact CB-CB 4.45Å; I3-L18 HydrophobicContact CB-CD1 3.91Å; I3-L18 HydrophobicContact CG2-CD1 3.64Å; I3-L18 WeakPolarHBondContact O-CB 3.39Å; I3-L18 PolarHBondContact O-N 3.15Å; I3-N19 PolarHBondContact N-ND2 2.73Å; I3-F68 HydrophobicContact CD1-CE1 4.06Å; I3-F68 HydrophobicContact CD1-CE2 4.23Å; I3-F68 HydrophobicContact CD1-CZ 3.42Å; I3-F68 VanDerWaalsContact CD1-CZ 3.42Å; I3-F68 HydrophobicContact CG2-CZ 4.14Å
4	Y	49.6	Very low	48.2	Very low	35 Å²	35	62.4 Å²	62.4	14%	0.137	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.1	176.8	-64	-88.5	0	0	0	109	Q2 F16 D17 W36 W37 R39	Q2-Y4 HydrophobicContact CB-CE2 3.67Å; Q2-Y4 VanDerWaalsContact CD-OH 3.32Å; Q2-Y4 PolarHBondContact OE1-OH 2.98Å; Y4-F16 WeakPolarHBondContact CA-O 3.05Å; Y4-D17 HydrophobicContact CD1-CB 4.26Å; Y4-D17 HydrophobicContact CE1-CB 4.07Å; Y4-W36 CarbonylContact O-C 3.53Å; Y4-W36 WeakPolarHBondContact O-CA 3.39Å; Y4-W36 WeakPolarHBondContact O-CB 3.43Å; Y4-W37 VanDerWaalsContact CB-CZ2 3.49Å; Y4-W37 AromaticContact CD2-NE1 3.7Å; Y4-W37 AromaticContact CG-CE2 3.96Å; Y4-W37 HydrophobicContact CG-CZ2 4.11Å; Y4-W37 AromaticContact CG-NE1 3.8Å; Y4-W37 PolarHBondContact N-O 2.66Å; Y4-W37 PolarHBondContact O-N 2.86Å; Y4-R39 HydrophobicContact CE2-CG 4.32Å; Y4-R39 PolarHBondContact OH-NE 2.95Å; Y4-R39 PolarHBondContact OH-NH2 3.35Å
5	V	54	Low	48.4	Very low	1 Å²	1	63.3 Å²	63.3	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.4	175.8	-168.9	0	0	0	0	108.2	S15 F16 L18 W35 L72	V5-S15 CarbonylContact O-C 3.18Å; V5-S15 VanDerWaalsContact O-CA 3.27Å; V5-S15 WeakPolarHBondContact O-CA 3.19Å; V5-F16 HydrophobicContact CB-CB 4.41Å; V5-F16 PolarHBondContact N-O 3.37Å; V5-F16 PolarHBondContact O-N 3.49Å; V5-L18 HydrophobicContact CG2-CD1 3.45Å; V5-L18 VanDerWaalsContact CG2-CD1 3.45Å; V5-L18 HydrophobicContact CG2-CD2 3.8Å; V5-L18 HydrophobicContact CG2-CG 3.59Å; V5-W35 CarbonylContact C-O 3.46Å; V5-W35 WeakPolarHBondContact CA-O 3.44Å; V5-L72 HydrophobicContact CG1-CD2 4.48Å; V5-L72 HydrophobicContact CG2-CD2 3.4Å; V5-L72 VanDerWaalsContact CG2-CD2 3.4Å
6	E	51.6	Low	48.8	Very low	20 Å²	20	62.1 Å²	62.1	9%	0.093	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.9	173.5	-173.5	160.5	-114.4	0	0	110.1	I8 R13 K14 S15 A34 W35 W37	E6-I8 HydrophobicContact CG-CG1 4.43Å; E6-R13 HydrophobicContact CG-CG 4.03Å; E6-R13 IonicContact OE1-CZ 3.16Å; E6-R13 IonicContact OE1-NE 2.67Å; E6-R13 PolarHBondContact OE1-NE 3.39Å; E6-R13 IonicContact OE1-NH2 2.86Å; E6-R13 PolarHBondContact OE1-NH2 2.76Å; E6-R13 IonicContact OE2-CZ 3.27Å; E6-R13 VanDerWaalsContact OE2-CZ 3.27Å; E6-R13 IonicContact OE2-NE 3.34Å; E6-R13 PolarHBondContact OE2-NE 2.8Å; E6-R13 IonicContact OE2-NH2 2.66Å; E6-R13 PolarHBondContact OE2-NH2 2.83Å; E6-K14 WeakPolarHBondContact CA-O 3.29Å; E6-S15 PolarHBondContact OE1-OG 2.96Å; E6-A34 CarbonylContact O-C 3.57Å; E6-A34 WeakPolarHBondContact O-CA 3.47Å; E6-W35 PolarHBondContact N-O 2.03Å; E6-W35 PolarHBondContact O-N 3.03Å; E6-W37 HydrophobicContact CB-CH2 3.73Å; E6-W37 HydrophobicContact CB-CZ3 3.43Å; E6-W37 VanDerWaalsContact CB-CZ3 3.43Å; E6-W37 HydrophobicContact CG-CZ3 4.48Å
7	C	52.5	Low	48.9	Very low	3 Å²	3	62.1 Å²	62.1	2%	0.02	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.5	179.9	-48.2	0	0	0	0	107.1	K14 F16 L32 R33 C76 A79	C7-K14 PolarHBondContact N-O 3.23Å; C7-K14 PolarHBondContact O-N 3.26Å; C7-F16 HydrophobicContact CB-CE2 4.31Å; C7-L32 HydrophobicContact CB-CD2 4.24Å; C7-R33 CarbonylContact C-O 3.46Å; C7-R33 WeakPolarHBondContact CA-O 2.99Å; C7-C76 HydrophobicContact CB-CB 3.62Å; C7-C76 WeakPolarHBondContact CB-SG 3.48Å; C7-C76 WeakPolarHBondContact SG-CA 3.25Å; C7-C76 WeakPolarHBondContact SG-CB 3.43Å; C7-C76 CovalentContact SG-SG 2.03Å; C7-C76 PolarHBondContact SG-SG 3.12Å; C7-A79 HydrophobicContact CB-CB 4.45Å
8	I	47.8	Very low	49.1	Very low	62 Å²	62	60.7 Å²	60.7	32%	0.318	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.9	174.1	-63	164.6	0	0	0	106.4	E6 R13 R33	E6-I8 HydrophobicContact CG-CG1 4.43Å; I8-R13 HydrophobicContact CG1-CB 4.26Å; I8-R13 HydrophobicContact CG1-CG 3.87Å; I8-R33 HydrophobicContact CB-CB 4.49Å; I8-R33 PolarHBondContact N-O 3.31Å; I8-R33 PolarHBondContact O-N 3.36Å
9	A	50.1	Low	48.9	Very low	11 Å²	11	61.9 Å²	61.9	9%	0.091	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	164.8	169	0	0	0	0	0	109.6	S11 G12 D30 L32 A80	A9-S11 WeakPolarHBondContact CB-OG 3.47Å; A9-S11 PolarHBondContact O-N 2.91Å; A9-S11 VanDerWaalsContact O-N 3.14Å; A9-G12 PolarHBondContact N-O 2.99Å; A9-G12 PolarHBondContact O-N 3.07Å; A9-D30 HydrophobicContact CB-CB 4.3Å; A9-L32 HydrophobicContact CB-CD2 3.73Å; A9-L32 HydrophobicContact CB-CG 4.27Å; A9-A80 HydrophobicContact CB-CB 4.33Å
10	L	42.9	Very low	48.2	Very low	136 Å²	136	60.9 Å²	60.9	71%	0.712	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.5	171	-75.7	167	0	0	0	112.7	N31	L10-N31 HydrophobicContact CD1-CB 4.08Å; L10-N31 HydrophobicContact CG-CB 4.47Å
11	S	45	Very low	47.6	Very low	63 Å²	63	63.3 Å²	63.3	44%	0.441	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-4	-179.3	46.8	0	0	0	0	114.7	A9 D30 P81	A9-S11 WeakPolarHBondContact CB-OG 3.47Å; A9-S11 PolarHBondContact O-N 2.91Å; A9-S11 VanDerWaalsContact O-N 3.14Å; S11-D30 PolarHBondContact OG-OD2 2.73Å; S11-P81 WeakPolarHBondContact OG-CD 3.17Å; S11-P81 WeakPolarHBondContact OG-CG 3.3Å
12	G	41.9	Very low	47.2	Very low	39 Å²	39	58.8 Å²	58.8	40%	0.402	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.2	174.2	174.9	0	0	0	0	0	114.7	A9	A9-G12 PolarHBondContact N-O 2.99Å; A9-G12 PolarHBondContact O-N 3.07Å
13	R	49.1	Very low	46.5	Very low	167 Å²	167	64.4 Å²	64.4	63%	0.63	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.9	177.2	-178.7	169.4	174.6	170.6	1.6	109.8	E6 I8	E6-R13 HydrophobicContact CG-CG 4.03Å; E6-R13 IonicContact OE1-CZ 3.16Å; E6-R13 IonicContact OE1-NE 2.67Å; E6-R13 PolarHBondContact OE1-NE 3.39Å; E6-R13 IonicContact OE1-NH2 2.86Å; E6-R13 PolarHBondContact OE1-NH2 2.76Å; E6-R13 IonicContact OE2-CZ 3.27Å; E6-R13 VanDerWaalsContact OE2-CZ 3.27Å; E6-R13 IonicContact OE2-NE 3.34Å; E6-R13 PolarHBondContact OE2-NE 2.8Å; E6-R13 IonicContact OE2-NH2 2.66Å; E6-R13 PolarHBondContact OE2-NH2 2.83Å; I8-R13 HydrophobicContact CG1-CB 4.26Å; I8-R13 HydrophobicContact CG1-CG 3.87Å
14	K	49.7	Very low	45.9	Very low	102 Å²	102	66.2 Å²	66.2	44%	0.443	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.8	173.4	-74	-170.9	-178.9	173.4	0	110.5	E6 C7 F16 A79	E6-K14 WeakPolarHBondContact CA-O 3.29Å; C7-K14 PolarHBondContact N-O 3.23Å; C7-K14 PolarHBondContact O-N 3.26Å; K14-F16 HydrophobicContact CB-CE2 3.75Å; K14-F16 HydrophobicContact CB-CZ 3.83Å; K14-F16 HydrophobicContact CD-CZ 4.05Å; K14-A79 HydrophobicContact CD-CB 4.44Å; K14-A79 WeakPolarHBondContact CD-O 3.13Å; K14-A79 PolarHBondContact NZ-O 2.86Å
15	S	50.8	Low	45	Very low	75 Å²	75	66.2 Å²	66.2	52%	0.524	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.5	178.8	-37.7	0	0	0	0	109.4	V5 E6	V5-S15 CarbonylContact O-C 3.18Å; V5-S15 VanDerWaalsContact O-CA 3.27Å; V5-S15 WeakPolarHBondContact O-CA 3.19Å; E6-S15 PolarHBondContact OE1-OG 2.96Å
16	F	54.4	Low	44	Very low	44 Å²	44	71.1 Å²	71.1	19%	0.193	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.7	-176.3	-57.2	-85.4	0	0	0	109.7	Y4 V5 C7 K14 V22 A79	Y4-F16 WeakPolarHBondContact CA-O 3.05Å; V5-F16 HydrophobicContact CB-CB 4.41Å; V5-F16 PolarHBondContact N-O 3.37Å; V5-F16 PolarHBondContact O-N 3.49Å; C7-F16 HydrophobicContact CB-CE2 4.31Å; K14-F16 HydrophobicContact CB-CE2 3.75Å; K14-F16 HydrophobicContact CB-CZ 3.83Å; K14-F16 HydrophobicContact CD-CZ 4.05Å; F16-V22 HydrophobicContact CB-CG2 4.24Å; F16-V22 HydrophobicContact CD1-CG1 3.78Å; F16-V22 HydrophobicContact CE1-CG1 4.31Å; F16-V22 HydrophobicContact CG-CG1 4.47Å; F16-A79 HydrophobicContact CE1-CB 4.34Å; F16-A79 HydrophobicContact CE2-CB 3.4Å; F16-A79 VanDerWaalsContact CE2-CB 3.4Å; F16-A79 HydrophobicContact CZ-CB 3.22Å
17	D	51.6	Low	43.4	Very low	63 Å²	63	74.4 Å²	74.4	34%	0.337	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115.7	166	-176.6	-7.9	0	0	0	108.3	Y4 N19 G20	Y4-D17 HydrophobicContact CD1-CB 4.26Å; Y4-D17 HydrophobicContact CE1-CB 4.07Å; D17-N19 PolarHBondContact O-N 3.5Å; D17-N19 WeakPolarHBondContact OD1-CB 3.41Å; D17-N19 PolarHBondContact OD1-N 3.03Å; D17-N19 PolarHBondContact OD1-ND2 3.14Å; D17-G20 PolarHBondContact O-N 2.93Å; D17-G20 VanDerWaalsContact O-O 3.09Å
18	L	51.6	Low	42.7	Very low	36 Å²	36	74.6 Å²	74.6	19%	0.188	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.6	-179.4	-62.6	174	0	0	0	113.7	I3 V5 G20 V22 F68 F71 L72 L75	I3-L18 HydrophobicContact CB-CB 4.45Å; I3-L18 HydrophobicContact CB-CD1 3.91Å; I3-L18 HydrophobicContact CG2-CD1 3.64Å; I3-L18 WeakPolarHBondContact O-CB 3.39Å; I3-L18 PolarHBondContact O-N 3.15Å; V5-L18 HydrophobicContact CG2-CD1 3.45Å; V5-L18 VanDerWaalsContact CG2-CD1 3.45Å; V5-L18 HydrophobicContact CG2-CD2 3.8Å; V5-L18 HydrophobicContact CG2-CG 3.59Å; L18-G20 VanDerWaalsContact C-N 3.26Å; L18-V22 HydrophobicContact CD2-CG2 4.15Å; L18-F68 HydrophobicContact CD1-CE2 4.4Å; L18-F68 HydrophobicContact CD1-CZ 4.08Å; L18-F71 HydrophobicContact CD2-CE1 4.18Å; L18-L72 HydrophobicContact CD1-CD2 3.42Å; L18-L72 VanDerWaalsContact CD1-CD2 3.42Å; L18-L72 HydrophobicContact CD2-CD2 4.03Å; L18-L72 HydrophobicContact CG-CD2 4.31Å; L18-L75 HydrophobicContact CD2-CD1 3.56Å
19	N	44.7	Very low	42.4	Very low	85 Å²	85	76.7 Å²	76.7	46%	0.455	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.6	175.3	-56.9	-82	0	0	0	112.2	M1 Q2 I3 D17	M1-N19 PolarHBondContact O-OD1 3.17Å; Q2-N19 WeakPolarHBondContact CA-ND2 3.27Å; Q2-N19 VanDerWaalsContact CB-ND2 3.35Å; Q2-N19 WeakPolarHBondContact CB-ND2 3.46Å; Q2-N19 WeakPolarHBondContact CG-ND2 3.04Å; I3-N19 PolarHBondContact N-ND2 2.73Å; D17-N19 PolarHBondContact O-N 3.5Å; D17-N19 WeakPolarHBondContact OD1-CB 3.41Å; D17-N19 PolarHBondContact OD1-N 3.03Å; D17-N19 PolarHBondContact OD1-ND2 3.14Å
20	G	35.9	Very low	42	Very low	41 Å²	41	77.4 Å²	77.4	42%	0.423	45%	0.45	S	S	.	.	S	Bend	trans	-103.7	124.1	163.9	0	0	0	0	0	108.5	D17 L18 V22	D17-G20 PolarHBondContact O-N 2.93Å; D17-G20 VanDerWaalsContact O-O 3.09Å; L18-G20 VanDerWaalsContact C-N 3.26Å; G20-V22 WeakPolarHBondContact O-CG2 3.23Å; G20-V22 PolarHBondContact O-N 3.38Å
21	A	35.6	Very low	42	Very low	111 Å²	111	73.3 Å²	73.3	92%	0.917	43%	0.429	S	S	*	.			trans	-44.5	113.6	-179.3	0	0	0	0	0	111.7
22	V	37	Very low	41.9	Very low	37 Å²	37	70.6 Å²	70.6	22%	0.224	41%	0.41	C	S	.	.			trans	-89	115.4	179.4	-172.5	0	0	0	0	108.5	F16 L18 G20 V24 L75	F16-V22 HydrophobicContact CB-CG2 4.24Å; F16-V22 HydrophobicContact CD1-CG1 3.78Å; F16-V22 HydrophobicContact CE1-CG1 4.31Å; F16-V22 HydrophobicContact CG-CG1 4.47Å; L18-V22 HydrophobicContact CD2-CG2 4.15Å; G20-V22 WeakPolarHBondContact O-CG2 3.23Å; G20-V22 PolarHBondContact O-N 3.38Å; V22-V24 PolarHBondContact O-N 3.35Å; V22-L75 HydrophobicContact CB-CD2 3.63Å; V22-L75 HydrophobicContact CG1-CD2 3.27Å; V22-L75 HydrophobicContact CG2-CD2 4.41Å
23	Q	31.7	Very low	42	Very low	193 Å²	193	75.7 Å²	75.7	90%	0.902	42%	0.417	S	S	*	.			trans	-77.6	113.1	173.5	-158	175.5	8.9	0	0	109	G25	Q23-G25 PolarHBondContact O-N 3.43Å
24	V	36.2	Very low	41.8	Very low	67 Å²	67	68 Å²	68	41%	0.406	39%	0.389	S	S	.	.			trans	-79.4	107.8	-177.9	-177.7	0	0	0	0	108.4	V22 L75 A78	V22-V24 PolarHBondContact O-N 3.35Å; V24-L75 HydrophobicContact CG2-CD2 3.69Å; V24-L75 HydrophobicContact CG2-CG 3.88Å; V24-A78 HydrophobicContact CB-CB 4.15Å; V24-A78 HydrophobicContact CG1-CB 3.16Å
25	G	31.5	Very low	41.5	Very low	35 Å²	35	68.1 Å²	68.1	36%	0.361	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-77	172.8	173.7	0	0	0	0	0	113.1	Q23 A78	Q23-G25 PolarHBondContact O-N 3.43Å; G25-A78 WeakPolarHBondContact O-CA 3.44Å; G25-A78 WeakPolarHBondContact O-CB 3.07Å
26	P	32.9	Very low	41.5	Very low	103 Å²	103	66.9 Å²	66.9	67%	0.669	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-62	147.6	-178.6	25.1	-32.2	0	0	0	111.8	Q82	P26-Q82 PolarHBondContact O-NE2 3.31Å
27	I	37.9	Very low	41	Very low	90 Å²	90	69.5 Å²	69.5	46%	0.462	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-86.1	128.2	-169.7	-65.4	171.5	0	0	0	112.3	L77 A78 Q82	I27-L77 WeakPolarHBondContact CA-O 3.39Å; I27-L77 HydrophobicContact CB-CB 4.43Å; I27-L77 HydrophobicContact CD1-CB 4.19Å; I27-L77 HydrophobicContact CD1-CD2 4.25Å; I27-L77 HydrophobicContact CG1-CB 4.01Å; I27-L77 HydrophobicContact CG2-CB 3.74Å; I27-L77 HydrophobicContact CG2-CD2 3.41Å; I27-L77 VanDerWaalsContact CG2-CD2 3.41Å; I27-L77 HydrophobicContact CG2-CG 3.53Å; I27-A78 HydrophobicContact CG1-CB 4.43Å; I27-Q82 VanDerWaalsContact N-NE2 3.15Å; I27-Q82 PolarHBondContact O-NE2 3.14Å
28	G	37.8	Very low	40.2	Very low	6 Å²	6	67.1 Å²	67.1	6%	0.062	37%	0.367	C	S	.	.			trans	-105.7	155.9	177	0	0	0	0	0	114.2	D30	G28-D30 VanDerWaalsContact C-N 3.26Å; G28-D30 PolarHBondContact O-N 3Å
29	N	42.7	Very low	39.4	Very low	107 Å²	107	73.5 Å²	73.5	57%	0.572	39%	0.389	S	S	*	.			trans	-75.4	48	-174.7	-70.5	-16.2	0	0	0	115.3	Q53	N29-Q53 PolarHBondContact OD1-OE1 2.82Å
30	D	40.4	Very low	38.8	Very low	25 Å²	25	75.3 Å²	75.3	13%	0.134	40%	0.399	C	S	.	.			trans	-102.1	143.7	177.7	-91.4	-21.1	0	0	0	113.1	A9 S11 G28 L32 A80	A9-D30 HydrophobicContact CB-CB 4.3Å; S11-D30 PolarHBondContact OG-OD2 2.73Å; G28-D30 VanDerWaalsContact C-N 3.26Å; G28-D30 PolarHBondContact O-N 3Å; D30-L32 PolarHBondContact O-N 3.34Å; D30-A80 HydrophobicContact CB-CB 3.92Å
31	N	43	Very low	38.7	Very low	50 Å²	50	76.6 Å²	76.6	27%	0.267	40%	0.398	S	S	.	.			trans	-65.5	109.9	169.2	-78.8	-65	0	0	0	110.1	L10 I52	L10-N31 HydrophobicContact CD1-CB 4.08Å; L10-N31 HydrophobicContact CG-CB 4.47Å; N31-I52 PolarHBondContact OD1-O 3.14Å
32	L	44.1	Very low	38.5	Very low	6 Å²	6	81.3 Å²	81.3	3%	0.031	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133	-172.1	-84	153.8	0	0	0	113.2	C7 A9 D30 C76 L77 A80	C7-L32 HydrophobicContact CB-CD2 4.24Å; A9-L32 HydrophobicContact CB-CD2 3.73Å; A9-L32 HydrophobicContact CB-CG 4.27Å; D30-L32 PolarHBondContact O-N 3.34Å; L32-C76 WeakPolarHBondContact CD1-O 3.37Å; L32-C76 HydrophobicContact CD2-CB 4.28Å; L32-C76 VanDerWaalsContact CD2-O 3.29Å; L32-C76 WeakPolarHBondContact CD2-O 3.3Å; L32-L77 VanDerWaalsContact CD1-CA 3.42Å; L32-L77 HydrophobicContact CD1-CB 4.32Å; L32-L77 HydrophobicContact CD1-CD1 3.5Å; L32-L77 VanDerWaalsContact CD1-CD1 3.5Å; L32-L77 HydrophobicContact CD1-CG 4.05Å; L32-A80 HydrophobicContact CD1-CB 3.74Å; L32-A80 HydrophobicContact CD2-CB 4.08Å; L32-A80 HydrophobicContact CG-CB 4.13Å
33	R	43.4	Very low	38.3	Very low	146 Å²	146	82.8 Å²	82.8	55%	0.551	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.1	166.4	-71.9	-179.5	167.7	-167.1	-8.7	109.7	C7 I8	C7-R33 CarbonylContact C-O 3.46Å; C7-R33 WeakPolarHBondContact CA-O 2.99Å; I8-R33 HydrophobicContact CB-CB 4.49Å; I8-R33 PolarHBondContact N-O 3.31Å; I8-R33 PolarHBondContact O-N 3.36Å
34	A	44.6	Very low	38.5	Very low	5 Å²	5	81.4 Å²	81.4	4%	0.041	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.3	179.8	0	0	0	0	0	110.1	E6 C76	E6-A34 CarbonylContact O-C 3.57Å; E6-A34 WeakPolarHBondContact O-CA 3.47Å; A34-C76 HydrophobicContact CB-CB 4.13Å; A34-C76 WeakPolarHBondContact CB-SG 3.39Å
35	W	44.6	Very low	38.7	Very low	105 Å²	105	81.2 Å²	81.2	40%	0.398	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.7	172.5	-55.5	83.6	0	0	0	107.9	V5 E6 P47	V5-W35 CarbonylContact C-O 3.46Å; V5-W35 WeakPolarHBondContact CA-O 3.44Å; E6-W35 PolarHBondContact N-O 2.03Å; E6-W35 PolarHBondContact O-N 3.03Å; W35-P47 HydrophobicContact CE3-CB 4.37Å; W35-P47 HydrophobicContact CH2-CB 3.62Å; W35-P47 HydrophobicContact CZ2-CB 4.45Å; W35-P47 HydrophobicContact CZ3-CB 3.56Å; W35-P47 HydrophobicContact CZ3-CG 4.43Å
36	W	49.7	Very low	39	Very low	50 Å²	50	82.1 Å²	82.1	19%	0.189	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.9	169.4	71.1	56.8	0	0	0	110.6	Y4 N45 L48 F68 T69 L72	Y4-W36 CarbonylContact O-C 3.53Å; Y4-W36 WeakPolarHBondContact O-CA 3.39Å; Y4-W36 WeakPolarHBondContact O-CB 3.43Å; W36-N45 VanDerWaalsContact CD1-CG 3.43Å; W36-N45 VanDerWaalsContact NE1-CB 3.34Å; W36-N45 PolarHBondContact NE1-ND2 3.03Å; W36-N45 VanDerWaalsContact NE1-ND2 3.16Å; W36-N45 PolarHBondContact NE1-OD1 2.8Å; W36-L48 HydrophobicContact CH2-CD1 4.28Å; W36-L48 HydrophobicContact CZ3-CD1 4.03Å; W36-F68 HydrophobicContact CH2-CD1 4.47Å; W36-T69 HydrophobicContact CH2-CG2 3.73Å; W36-T69 HydrophobicContact CZ3-CG2 3.85Å; W36-L72 HydrophobicContact CD2-CD1 3.72Å; W36-L72 HydrophobicContact CE3-CB 3.92Å; W36-L72 HydrophobicContact CE3-CD1 3.04Å; W36-L72 HydrophobicContact CE3-CG 4.05Å; W36-L72 HydrophobicContact CG-CD1 4.4Å; W36-L72 HydrophobicContact CH2-CD1 4.1Å; W36-L72 HydrophobicContact CZ3-CB 3.99Å; W36-L72 HydrophobicContact CZ3-CD1 3.26Å; W36-L72 HydrophobicContact CZ3-CG 4.17Å
37	W	43	Very low	39.2	Very low	98 Å²	98	80.3 Å²	80.3	37%	0.371	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.2	170	63.9	98.8	0	0	0	110.1	Y4 E6	Y4-W37 VanDerWaalsContact CB-CZ2 3.49Å; Y4-W37 AromaticContact CD2-NE1 3.7Å; Y4-W37 AromaticContact CG-CE2 3.96Å; Y4-W37 HydrophobicContact CG-CZ2 4.11Å; Y4-W37 AromaticContact CG-NE1 3.8Å; Y4-W37 PolarHBondContact N-O 2.66Å; Y4-W37 PolarHBondContact O-N 2.86Å; E6-W37 HydrophobicContact CB-CH2 3.73Å; E6-W37 HydrophobicContact CB-CZ3 3.43Å; E6-W37 VanDerWaalsContact CB-CZ3 3.43Å; E6-W37 HydrophobicContact CG-CZ3 4.48Å
38	S	35.7	Very low	39.3	Very low	13 Å²	13	76.8 Å²	76.8	9%	0.091	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.6	171.9	173.2	0	0	0	0	108.7	M1 Q2 N40	M1-S38 WeakPolarHBondContact CG-OG 2.95Å; Q2-S38 VanDerWaalsContact O-CA 3.3Å; Q2-S38 WeakPolarHBondContact O-CA 3.44Å; S38-N40 PolarHBondContact O-N 3.02Å; S38-N40 VanDerWaalsContact O-N 3.14Å; S38-N40 PolarHBondContact OG-N 3.48Å
39	R	35.6	Very low	39.2	Very low	170 Å²	170	79.7 Å²	79.7	64%	0.642	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.8	175.6	-104.2	-163.1	-98.4	-164.9	-4.4	113.4	Q2 Y4	Q2-R39 PolarHBondContact O-N 2.62Å; Q2-R39 VanDerWaalsContact O-N 3.09Å; Y4-R39 HydrophobicContact CE2-CG 4.32Å; Y4-R39 PolarHBondContact OH-NE 2.95Å; Y4-R39 PolarHBondContact OH-NH2 3.35Å
40	N	32.1	Very low	38.9	Very low	124 Å²	124	75 Å²	75	66%	0.663	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	5.3	-173.1	-74.8	-4.7	0	0	0	114.7	M1 S38	M1-N40 HydrophobicContact CG-CB 4.47Å; S38-N40 PolarHBondContact O-N 3.02Å; S38-N40 VanDerWaalsContact O-N 3.14Å; S38-N40 PolarHBondContact OG-N 3.48Å
41	V	33	Very low	38.5	Very low	67 Å²	67	75.8 Å²	75.8	41%	0.406	38%	0.38	S	S	.	.			trans	-131.5	113.1	-179.8	-168.7	0	0	0	0	108.3	M1 S43	M1-V41 HydrophobicContact CE-CG2 3.9Å; M1-V41 HydrophobicContact SD-CG2 3.85Å; V41-S43 PolarHBondContact O-N 2.89Å
42	Q	31.2	Very low	38.1	Very low	210 Å²	210	75.5 Å²	75.5	98%	0.981	38%	0.378	S	S	*	.			trans	-67.8	25.1	169.5	-81.3	-176.2	-7.9	0	0	112.8
43	S	33.7	Very low	37.7	Very low	69 Å²	69	82.4 Å²	82.4	48%	0.483	41%	0.41	S	S	.	.			trans	-93.3	112.3	173.7	-169.8	0	0	0	0	107.1	V41 N45	V41-S43 PolarHBondContact O-N 2.89Å; S43-N45 VanDerWaalsContact C-N 3.29Å; S43-N45 PolarHBondContact O-N 3.3Å
44	N	34.5	Very low	37.2	Very low	164 Å²	164	81.4 Å²	81.4	88%	0.877	42%	0.415	S	S	*	.			trans	-56.8	94.5	169.6	-82.7	-23.5	0	0	0	108.6	G46	N44-G46 PolarHBondContact O-N 3.14Å; N44-G46 VanDerWaalsContact O-N 3.11Å
45	N	40.6	Very low	36.4	Very low	63 Å²	63	84.9 Å²	84.9	34%	0.337	45%	0.452	S	S	.	.			trans	-66.8	109.5	169.5	-69.7	-43.6	0	0	0	107.6	W36 S43	W36-N45 VanDerWaalsContact CD1-CG 3.43Å; W36-N45 VanDerWaalsContact NE1-CB 3.34Å; W36-N45 PolarHBondContact NE1-ND2 3.03Å; W36-N45 VanDerWaalsContact NE1-ND2 3.16Å; W36-N45 PolarHBondContact NE1-OD1 2.8Å; S43-N45 VanDerWaalsContact C-N 3.29Å; S43-N45 PolarHBondContact O-N 3.3Å
46	G	38.1	Very low	35.5	Very low	53 Å²	53	90.4 Å²	90.4	55%	0.546	47%	0.472	S	S	.	.			trans	-63.9	165.1	-178.2	0	0	0	0	0	113	N44 L48	N44-G46 PolarHBondContact O-N 3.14Å; N44-G46 VanDerWaalsContact O-N 3.11Å; G46-L48 PolarHBondContact O-N 3.11Å
47	P	37.8	Very low	34.5	Very low	66 Å²	66	98.6 Å²	98.6	43%	0.429	50%	0.503	S	S	.	.			trans	-59.7	133.3	-179.6	21.9	-31.1	0	0	0	112.3	W35	W35-P47 HydrophobicContact CE3-CB 4.37Å; W35-P47 HydrophobicContact CH2-CB 3.62Å; W35-P47 HydrophobicContact CZ2-CB 4.45Å; W35-P47 HydrophobicContact CZ3-CB 3.56Å; W35-P47 HydrophobicContact CZ3-CG 4.43Å
48	L	38.9	Very low	33.8	Very low	16 Å²	16	99.1 Å²	99.1	8%	0.084	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	81.2	167.6	-145.4	114.2	0	0	0	108.9	W36 G46 T50 V59 V60 T69	W36-L48 HydrophobicContact CH2-CD1 4.28Å; W36-L48 HydrophobicContact CZ3-CD1 4.03Å; G46-L48 PolarHBondContact O-N 3.11Å; L48-T50 PolarHBondContact O-N 3.33Å; L48-V59 CarbonylContact C-O 3.45Å; L48-V60 HydrophobicContact CD1-CG1 3.77Å; L48-V60 HydrophobicContact CD2-CB 4.47Å; L48-V60 HydrophobicContact CD2-CG1 4.03Å; L48-V60 HydrophobicContact CD2-CG2 3.75Å; L48-V60 HydrophobicContact CG-CB 4.11Å; L48-V60 HydrophobicContact CG-CG1 3.72Å; L48-V60 HydrophobicContact CG-CG2 3.71Å; L48-T69 HydrophobicContact CD1-CG2 3.39Å; L48-T69 HydrophobicContact CD2-CG2 4.35Å; L48-T69 HydrophobicContact CG-CG2 4.46Å
49	E	37.2	Very low	33.7	Very low	67 Å²	67	101.9 Å²	101.9	31%	0.313	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	106.3	170.9	-75.4	-173.9	162.5	0	0	110.6	R58 V59 V60	E49-R58 CarbonylContact O-C 3.57Å; E49-R58 WeakPolarHBondContact O-CA 3.37Å; E49-R58 WeakPolarHBondContact O-CB 3.35Å; E49-R58 VanDerWaalsContact O-CG 3.28Å; E49-R58 WeakPolarHBondContact O-CG 3.16Å; E49-V59 VanDerWaalsContact CA-O 3.3Å; E49-V59 WeakPolarHBondContact CA-O 3.34Å; E49-V59 HydrophobicContact CB-CB 3.77Å; E49-V59 WeakPolarHBondContact CB-O 3.39Å; E49-V59 HydrophobicContact CG-CB 4.17Å; E49-V59 PolarHBondContact N-O 3.47Å; E49-V59 CarbonylContact O-C 3.53Å; E49-V59 PolarHBondContact O-N 3.1Å; E49-V59 VanDerWaalsContact OE2-CB 3.3Å; E49-V59 WeakPolarHBondContact OE2-CB 3.42Å; E49-V59 WeakPolarHBondContact OE2-CG2 3.39Å; E49-V59 PolarHBondContact OE2-N 3.02Å; E49-V60 VanDerWaalsContact O-CG2 3.25Å; E49-V60 WeakPolarHBondContact O-CG2 3.42Å; E49-V60 PolarHBondContact O-N 3.39Å
50	T	35.9	Very low	33.6	Very low	9 Å²	9	96.2 Å²	96.2	6%	0.055	51%	0.506	C	S	.	.			trans	-105	133.7	165.8	148.8	0	0	0	0	111	L48 R58	L48-T50 PolarHBondContact O-N 3.33Å; T50-R58 VanDerWaalsContact CA-CD 3.46Å; T50-R58 VanDerWaalsContact CA-CG 3.45Å; T50-R58 VanDerWaalsContact CB-NE 3.28Å; T50-R58 PolarHBondContact OG1-NE 2.7Å; T50-R58 VanDerWaalsContact OG1-NE 3.14Å; T50-R58 PolarHBondContact OG1-NH2 2.9Å
51	N	31.4	Very low	33.5	Very low	40 Å²	40	98.6 Å²	98.6	21%	0.214	51%	0.513	C	S	.	.			trans	-114.8	126.4	170.6	-99.5	-89.2	0	0	0	105.9	R56 R57 R58	N51-R56 WeakPolarHBondContact CB-O 3.31Å; N51-R56 VanDerWaalsContact ND2-C 3.29Å; N51-R56 PolarHBondContact ND2-O 2.81Å; N51-R56 VanDerWaalsContact OD1-CA 3.31Å; N51-R56 WeakPolarHBondContact OD1-CA 3.37Å; N51-R56 WeakPolarHBondContact OD1-CB 3.38Å; N51-R56 PolarHBondContact OD1-O 2.73Å; N51-R57 WeakPolarHBondContact ND2-CA 3.05Å; N51-R57 PolarHBondContact ND2-N 2.9Å; N51-R57 VanDerWaalsContact ND2-N 3.14Å; N51-R57 PolarHBondContact ND2-O 3.24Å; N51-R58 HydrophobicContact CB-CG 3.77Å; N51-R58 PolarHBondContact ND2-N 2.78Å; N51-R58 PolarHBondContact O-NE 3.44Å
52	I	34.5	Very low	33.5	Very low	45 Å²	45	98.5 Å²	98.5	23%	0.231	51%	0.513	C	S	.	.			trans	-134.5	121.2	177.1	-67	173	0	0	0	106.1	N31 D54 L77	N31-I52 PolarHBondContact OD1-O 3.14Å; I52-D54 PolarHBondContact O-N 3.03Å; I52-L77 HydrophobicContact CD1-CD1 3.27Å; I52-L77 HydrophobicContact CD1-CD2 3.8Å; I52-L77 HydrophobicContact CD1-CG 4.17Å
53	Q	37.2	Very low	33.3	Very low	150 Å²	150	97.7 Å²	97.7	70%	0.701	51%	0.51	S	S	*	.	S	Bend	trans	73.7	-13.6	163.6	-70.7	-177.8	1.1	0	0	122.9	N29	N29-Q53 PolarHBondContact OD1-OE1 2.82Å
54	D	32.4	Very low	33.1	Very low	126 Å²	126	98.3 Å²	98.3	67%	0.674	52%	0.519	S	S	*	.	S	Bend	trans	-117.9	14.7	-177.1	-82.9	-22.3	0	0	0	117.5	I52	I52-D54 PolarHBondContact O-N 3.03Å
55	G	27.2	Very low	33.2	Very low	78 Å²	78	98.7 Å²	98.7	80%	0.804	52%	0.521	S	S	*	.	S	Bend	trans	82.2	24.6	168.1	0	0	0	0	0	117.6
56	R	25.9	Very low	33.3	Very low	220 Å²	220	100.5 Å²	100.5	83%	0.83	53%	0.531	S	S	*	.			trans	-107.7	174.1	163.1	-70.5	-177.7	172	176	-1.7	110.4	N51	N51-R56 WeakPolarHBondContact CB-O 3.31Å; N51-R56 VanDerWaalsContact ND2-C 3.29Å; N51-R56 PolarHBondContact ND2-O 2.81Å; N51-R56 VanDerWaalsContact OD1-CA 3.31Å; N51-R56 WeakPolarHBondContact OD1-CA 3.37Å; N51-R56 WeakPolarHBondContact OD1-CB 3.38Å; N51-R56 PolarHBondContact OD1-O 2.73Å
57	R	28.2	Very low	33.8	Very low	222 Å²	222	102.9 Å²	102.9	84%	0.838	54%	0.539	S	S	*	.			trans	-106.6	135.4	-161.8	-168.5	-176.3	-178.7	-175.8	1.8	116.2	N51	N51-R57 WeakPolarHBondContact ND2-CA 3.05Å; N51-R57 PolarHBondContact ND2-N 2.9Å; N51-R57 VanDerWaalsContact ND2-N 3.14Å; N51-R57 PolarHBondContact ND2-O 3.24Å
58	R	29.3	Very low	34.3	Very low	109 Å²	109	103 Å²	103	41%	0.411	53%	0.533	S	S	.	.			trans	-74.8	156.6	172.4	-78.8	-152.4	174.8	-164.6	0.3	114.8	E49 T50 N51	E49-R58 CarbonylContact O-C 3.57Å; E49-R58 WeakPolarHBondContact O-CA 3.37Å; E49-R58 WeakPolarHBondContact O-CB 3.35Å; E49-R58 VanDerWaalsContact O-CG 3.28Å; E49-R58 WeakPolarHBondContact O-CG 3.16Å; T50-R58 VanDerWaalsContact CA-CD 3.46Å; T50-R58 VanDerWaalsContact CA-CG 3.45Å; T50-R58 VanDerWaalsContact CB-NE 3.28Å; T50-R58 PolarHBondContact OG1-NE 2.7Å; T50-R58 VanDerWaalsContact OG1-NE 3.14Å; T50-R58 PolarHBondContact OG1-NH2 2.9Å; N51-R58 HydrophobicContact CB-CG 3.77Å; N51-R58 PolarHBondContact ND2-N 2.78Å; N51-R58 PolarHBondContact O-NE 3.44Å
59	V	33.7	Very low	34.7	Very low	71 Å²	71	103 Å²	103	43%	0.43	53%	0.534	S	S	.	.	B	Isolated β-bridge	trans	-141.4	93.8	155	174.2	0	0	0	0	107.9	L48 E49	L48-V59 CarbonylContact C-O 3.45Å; E49-V59 VanDerWaalsContact CA-O 3.3Å; E49-V59 WeakPolarHBondContact CA-O 3.34Å; E49-V59 HydrophobicContact CB-CB 3.77Å; E49-V59 WeakPolarHBondContact CB-O 3.39Å; E49-V59 HydrophobicContact CG-CB 4.17Å; E49-V59 PolarHBondContact N-O 3.47Å; E49-V59 CarbonylContact O-C 3.53Å; E49-V59 PolarHBondContact O-N 3.1Å; E49-V59 VanDerWaalsContact OE2-CB 3.3Å; E49-V59 WeakPolarHBondContact OE2-CB 3.42Å; E49-V59 WeakPolarHBondContact OE2-CG2 3.39Å; E49-V59 PolarHBondContact OE2-N 3.02Å
60	V	33.5	Very low	35.3	Very low	51 Å²	51	101.8 Å²	101.8	31%	0.309	54%	0.539	S	S	.	.			trans	-113.9	116	161.4	177.1	0	0	0	0	105.8	L48 E49 T69	L48-V60 HydrophobicContact CD1-CG1 3.77Å; L48-V60 HydrophobicContact CD2-CB 4.47Å; L48-V60 HydrophobicContact CD2-CG1 4.03Å; L48-V60 HydrophobicContact CD2-CG2 3.75Å; L48-V60 HydrophobicContact CG-CB 4.11Å; L48-V60 HydrophobicContact CG-CG1 3.72Å; L48-V60 HydrophobicContact CG-CG2 3.71Å; E49-V60 VanDerWaalsContact O-CG2 3.25Å; E49-V60 WeakPolarHBondContact O-CG2 3.42Å; E49-V60 PolarHBondContact O-N 3.39Å; V60-T69 HydrophobicContact CG1-CG2 4.32Å
61	E	28.8	Very low	36.2	Very low	174 Å²	174	105.8 Å²	105.8	81%	0.813	56%	0.556	S	S	*	*			trans	-135.9	110.5	163.7	-76.2	-175.8	176.4	0	0	109.2
62	P	33.2	Very low	37.3	Very low	65 Å²	65	103.9 Å²	103.9	42%	0.422	55%	0.546	S	S	.	.				-125.6	121.8	126.5	31.8	-22.7	0	0	0	109.9	T69	P62-T69 HydrophobicContact CG-CG2 4Å
63	E	26.5	Very low	38.2	Very low	193 Å²	193	102.7 Å²	102.7	90%	0.902	54%	0.543	S	S	*	.			trans	-62.3	139.6	169.5	-76.2	-171.4	133.8	0	0	110.5
64	A	30.6	Very low	38.9	Very low	83 Å²	83	98.2 Å²	98.2	69%	0.686	53%	0.528	S	S	*	.	S	Bend	trans	85.1	102.7	173.4	0	0	0	0	0	117.2	D66	A64-D66 VanDerWaalsContact C-N 3.29Å; A64-D66 PolarHBondContact O-N 2.88Å
65	D	37.2	Very low	40	Very low	172 Å²	172	92.4 Å²	92.4	92%	0.92	50%	0.497	S	S	*	.			trans	60.9	3.8	145.3	-100	-16.7	0	0	0	121.1	S67	D65-S67 PolarHBondContact O-N 2.86Å
66	D	42.8	Very low	41.3	Very low	100 Å²	100	88.8 Å²	88.8	54%	0.535	46%	0.459	S	S	.	.			trans	-87.3	88.8	-166.3	-131.1	-22.8	0	0	0	113.4	A64 F68 T69	A64-D66 VanDerWaalsContact C-N 3.29Å; A64-D66 PolarHBondContact O-N 2.88Å; D66-F68 PolarHBondContact O-N 2.67Å; D66-T69 WeakPolarHBondContact O-CB 3.18Å; D66-T69 PolarHBondContact O-N 2.76Å; D66-T69 PolarHBondContact O-OG1 2.85Å
67	S	47.6	Very low	42.6	Very low	104 Å²	104	79.6 Å²	79.6	73%	0.727	43%	0.426	S	S	*	.	H	α-helix	trans	-45.8	-23.2	168.9	47.6	0	0	0	0	114.1	D65 F71	D65-S67 PolarHBondContact O-N 2.86Å; S67-F71 WeakPolarHBondContact O-CB 3.3Å; S67-F71 PolarHBondContact O-N 2.66Å
68	F	48.6	Very low	43.7	Very low	69 Å²	69	69.8 Å²	69.8	30%	0.303	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-39.5	171.3	-168.4	-114.9	0	0	0	112.9	I3 L18 W36 D66 F71 L72	I3-F68 HydrophobicContact CD1-CE1 4.06Å; I3-F68 HydrophobicContact CD1-CE2 4.23Å; I3-F68 HydrophobicContact CD1-CZ 3.42Å; I3-F68 VanDerWaalsContact CD1-CZ 3.42Å; I3-F68 HydrophobicContact CG2-CZ 4.14Å; L18-F68 HydrophobicContact CD1-CE2 4.4Å; L18-F68 HydrophobicContact CD1-CZ 4.08Å; W36-F68 HydrophobicContact CH2-CD1 4.47Å; D66-F68 PolarHBondContact O-N 2.67Å; F68-F71 WeakPolarHBondContact O-CB 3.25Å; F68-F71 PolarHBondContact O-N 3.34Å; F68-L72 HydrophobicContact CD1-CD1 3.7Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE2-CD1 4.24Å; F68-L72 HydrophobicContact CG-CD1 4.26Å; F68-L72 HydrophobicContact CZ-CD1 3.66Å; F68-L72 WeakPolarHBondContact O-CG 3.37Å; F68-L72 PolarHBondContact O-N 2.85Å; F68-L72 VanDerWaalsContact O-N 3.1Å
69	T	47.8	Very low	44.5	Very low	15 Å²	15	65 Å²	65	9%	0.092	38%	0.376	C	S	.	.	H	α-helix	trans	-69.7	-41.3	-179.3	-45.9	0	0	0	0	111.9	W36 L48 V60 P62 D66 L72 A73	W36-T69 HydrophobicContact CH2-CG2 3.73Å; W36-T69 HydrophobicContact CZ3-CG2 3.85Å; L48-T69 HydrophobicContact CD1-CG2 3.39Å; L48-T69 HydrophobicContact CD2-CG2 4.35Å; L48-T69 HydrophobicContact CG-CG2 4.46Å; V60-T69 HydrophobicContact CG1-CG2 4.32Å; P62-T69 HydrophobicContact CG-CG2 4Å; D66-T69 WeakPolarHBondContact O-CB 3.18Å; D66-T69 PolarHBondContact O-N 2.76Å; D66-T69 PolarHBondContact O-OG1 2.85Å; T69-L72 PolarHBondContact O-N 2.83Å; T69-A73 PolarHBondContact O-N 3.3Å; T69-A73 VanDerWaalsContact O-N 3.14Å
70	G	49.8	Very low	45	Very low	41 Å²	41	61.8 Å²	61.8	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-37	173.8	0	0	0	0	0	112.7	L72 S74	G70-L72 VanDerWaalsContact C-N 3.32Å; G70-L72 PolarHBondContact O-N 2.97Å; G70-S74 WeakPolarHBondContact O-CB 3.28Å; G70-S74 PolarHBondContact O-N 3.23Å; G70-S74 PolarHBondContact O-OG 3.26Å
71	F	53.3	Low	45.4	Very low	93 Å²	93	62.1 Å²	62.1	41%	0.408	36%	0.361	S	S	.	.	H	α-helix	trans	-60.9	-40.5	173.5	174	-109.7	0	0	0	111.9	L18 S67 F68 S74 L75	L18-F71 HydrophobicContact CD2-CE1 4.18Å; S67-F71 WeakPolarHBondContact O-CB 3.3Å; S67-F71 PolarHBondContact O-N 2.66Å; F68-F71 WeakPolarHBondContact O-CB 3.25Å; F68-F71 PolarHBondContact O-N 3.34Å; F71-S74 PolarHBondContact O-N 3.5Å; F71-L75 HydrophobicContact CD1-CD1 3.73Å; F71-L75 HydrophobicContact CD2-CD1 4.44Å; F71-L75 HydrophobicContact CE1-CD1 3.24Å; F71-L75 HydrophobicContact CE1-CG 4.42Å; F71-L75 HydrophobicContact CE2-CD1 4.03Å; F71-L75 HydrophobicContact CE2-CG 4.45Å; F71-L75 HydrophobicContact CG-CD1 4.31Å; F71-L75 HydrophobicContact CZ-CD1 3.41Å; F71-L75 VanDerWaalsContact CZ-CD1 3.41Å; F71-L75 HydrophobicContact CZ-CG 4.22Å; F71-L75 WeakPolarHBondContact O-CB 3.18Å; F71-L75 PolarHBondContact O-N 3.34Å
72	L	56	Low	46	Very low	1 Å²	1	58.2 Å²	58.2	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-74.5	-36.6	-177.8	-63.6	172.4	0	0	0	113.2	V5 L18 W36 F68 T69 G70 S74 L75 C76	V5-L72 HydrophobicContact CG1-CD2 4.48Å; V5-L72 HydrophobicContact CG2-CD2 3.4Å; V5-L72 VanDerWaalsContact CG2-CD2 3.4Å; L18-L72 HydrophobicContact CD1-CD2 3.42Å; L18-L72 VanDerWaalsContact CD1-CD2 3.42Å; L18-L72 HydrophobicContact CD2-CD2 4.03Å; L18-L72 HydrophobicContact CG-CD2 4.31Å; W36-L72 HydrophobicContact CD2-CD1 3.72Å; W36-L72 HydrophobicContact CE3-CB 3.92Å; W36-L72 HydrophobicContact CE3-CD1 3.04Å; W36-L72 HydrophobicContact CE3-CG 4.05Å; W36-L72 HydrophobicContact CG-CD1 4.4Å; W36-L72 HydrophobicContact CH2-CD1 4.1Å; W36-L72 HydrophobicContact CZ3-CB 3.99Å; W36-L72 HydrophobicContact CZ3-CD1 3.26Å; W36-L72 HydrophobicContact CZ3-CG 4.17Å; F68-L72 HydrophobicContact CD1-CD1 3.7Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE2-CD1 4.24Å; F68-L72 HydrophobicContact CG-CD1 4.26Å; F68-L72 HydrophobicContact CZ-CD1 3.66Å; F68-L72 WeakPolarHBondContact O-CG 3.37Å; F68-L72 PolarHBondContact O-N 2.85Å; F68-L72 VanDerWaalsContact O-N 3.1Å; T69-L72 PolarHBondContact O-N 2.83Å; G70-L72 VanDerWaalsContact C-N 3.32Å; G70-L72 PolarHBondContact O-N 2.97Å; L72-S74 VanDerWaalsContact C-N 3.33Å; L72-L75 HydrophobicContact CD2-CD1 3.99Å; L72-L75 PolarHBondContact O-N 3.14Å; L72-C76 PolarHBondContact O-N 2.97Å; L72-C76 VanDerWaalsContact O-N 3.11Å
73	A	52.2	Low	46.2	Very low	20 Å²	20	57.7 Å²	57.7	17%	0.165	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-41.2	168.6	0	0	0	0	0	111.8	T69 C76 L77	T69-A73 PolarHBondContact O-N 3.3Å; T69-A73 VanDerWaalsContact O-N 3.14Å; A73-C76 PolarHBondContact O-N 2.68Å; A73-L77 PolarHBondContact O-N 3.49Å
74	S	53.2	Low	46.6	Very low	56 Å²	56	56.5 Å²	56.5	39%	0.392	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-40.1	178.3	-56.6	0	0	0	0	112.4	G70 F71 L72 L77 A78	G70-S74 WeakPolarHBondContact O-CB 3.28Å; G70-S74 PolarHBondContact O-N 3.23Å; G70-S74 PolarHBondContact O-OG 3.26Å; F71-S74 PolarHBondContact O-N 3.5Å; L72-S74 VanDerWaalsContact C-N 3.33Å; S74-L77 PolarHBondContact O-N 2.81Å; S74-A78 WeakPolarHBondContact O-CB 3.13Å; S74-A78 PolarHBondContact O-N 2.69Å
75	L	55	Low	46.7	Very low	3 Å²	3	59.3 Å²	59.3	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-59	-45.8	173.3	-98.7	160.4	0	0	0	112.5	L18 V22 V24 F71 L72 L77 A78 A79	L18-L75 HydrophobicContact CD2-CD1 3.56Å; V22-L75 HydrophobicContact CB-CD2 3.63Å; V22-L75 HydrophobicContact CG1-CD2 3.27Å; V22-L75 HydrophobicContact CG2-CD2 4.41Å; V24-L75 HydrophobicContact CG2-CD2 3.69Å; V24-L75 HydrophobicContact CG2-CG 3.88Å; F71-L75 HydrophobicContact CD1-CD1 3.73Å; F71-L75 HydrophobicContact CD2-CD1 4.44Å; F71-L75 HydrophobicContact CE1-CD1 3.24Å; F71-L75 HydrophobicContact CE1-CG 4.42Å; F71-L75 HydrophobicContact CE2-CD1 4.03Å; F71-L75 HydrophobicContact CE2-CG 4.45Å; F71-L75 HydrophobicContact CG-CD1 4.31Å; F71-L75 HydrophobicContact CZ-CD1 3.41Å; F71-L75 VanDerWaalsContact CZ-CD1 3.41Å; F71-L75 HydrophobicContact CZ-CG 4.22Å; F71-L75 WeakPolarHBondContact O-CB 3.18Å; F71-L75 PolarHBondContact O-N 3.34Å; L72-L75 HydrophobicContact CD2-CD1 3.99Å; L72-L75 PolarHBondContact O-N 3.14Å; L75-L77 VanDerWaalsContact C-N 3.33Å; L75-L77 PolarHBondContact O-N 2.88Å; L75-A78 PolarHBondContact O-N 3.09Å; L75-A79 VanDerWaalsContact O-CB 3.25Å; L75-A79 WeakPolarHBondContact O-CB 3.14Å; L75-A79 PolarHBondContact O-N 3.41Å
76	C	55	Low	46.5	Very low	2 Å²	2	62.6 Å²	62.6	1%	0.014	34%	0.341	C	S	.	.	H	α-helix	trans	-66.6	-36.5	176.8	-73.9	0	0	0	0	112.5	C7 L32 A34 L72 A73 A78 A79 A80	C7-C76 HydrophobicContact CB-CB 3.62Å; C7-C76 WeakPolarHBondContact CB-SG 3.48Å; C7-C76 WeakPolarHBondContact SG-CA 3.25Å; C7-C76 WeakPolarHBondContact SG-CB 3.43Å; C7-C76 CovalentContact SG-SG 2.03Å; C7-C76 PolarHBondContact SG-SG 3.12Å; L32-C76 WeakPolarHBondContact CD1-O 3.37Å; L32-C76 HydrophobicContact CD2-CB 4.28Å; L32-C76 VanDerWaalsContact CD2-O 3.29Å; L32-C76 WeakPolarHBondContact CD2-O 3.3Å; A34-C76 HydrophobicContact CB-CB 4.13Å; A34-C76 WeakPolarHBondContact CB-SG 3.39Å; L72-C76 PolarHBondContact O-N 2.97Å; L72-C76 VanDerWaalsContact O-N 3.11Å; A73-C76 PolarHBondContact O-N 2.68Å; C76-A78 VanDerWaalsContact C-N 3.34Å; C76-A78 PolarHBondContact O-N 2.96Å; C76-A79 WeakPolarHBondContact O-CB 3.34Å; C76-A79 PolarHBondContact O-N 3.47Å; C76-A80 PolarHBondContact O-N 2.77Å; C76-A80 VanDerWaalsContact O-N 3.15Å
77	L	51.4	Low	45.9	Very low	28 Å²	28	63.2 Å²	63.2	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-38.7	175	-119.9	72.4	0	0	0	113.2	I27 L32 I52 A73 S74 L75	I27-L77 WeakPolarHBondContact CA-O 3.39Å; I27-L77 HydrophobicContact CB-CB 4.43Å; I27-L77 HydrophobicContact CD1-CB 4.19Å; I27-L77 HydrophobicContact CD1-CD2 4.25Å; I27-L77 HydrophobicContact CG1-CB 4.01Å; I27-L77 HydrophobicContact CG2-CB 3.74Å; I27-L77 HydrophobicContact CG2-CD2 3.41Å; I27-L77 VanDerWaalsContact CG2-CD2 3.41Å; I27-L77 HydrophobicContact CG2-CG 3.53Å; L32-L77 VanDerWaalsContact CD1-CA 3.42Å; L32-L77 HydrophobicContact CD1-CB 4.32Å; L32-L77 HydrophobicContact CD1-CD1 3.5Å; L32-L77 VanDerWaalsContact CD1-CD1 3.5Å; L32-L77 HydrophobicContact CD1-CG 4.05Å; I52-L77 HydrophobicContact CD1-CD1 3.27Å; I52-L77 HydrophobicContact CD1-CD2 3.8Å; I52-L77 HydrophobicContact CD1-CG 4.17Å; A73-L77 PolarHBondContact O-N 3.49Å; S74-L77 PolarHBondContact O-N 2.81Å; L75-L77 VanDerWaalsContact C-N 3.33Å; L75-L77 PolarHBondContact O-N 2.88Å
78	A	51.2	Low	44.9	Very low	15 Å²	15	61.2 Å²	61.2	12%	0.124	35%	0.349	C	S	.	.	H	α-helix	trans	-75.2	-25.9	174.5	0	0	0	0	0	114.4	V24 G25 I27 S74 L75 C76	V24-A78 HydrophobicContact CB-CB 4.15Å; V24-A78 HydrophobicContact CG1-CB 3.16Å; G25-A78 WeakPolarHBondContact O-CA 3.44Å; G25-A78 WeakPolarHBondContact O-CB 3.07Å; I27-A78 HydrophobicContact CG1-CB 4.43Å; S74-A78 WeakPolarHBondContact O-CB 3.13Å; S74-A78 PolarHBondContact O-N 2.69Å; L75-A78 PolarHBondContact O-N 3.09Å; C76-A78 VanDerWaalsContact C-N 3.34Å; C76-A78 PolarHBondContact O-N 2.96Å
79	A	46.4	Very low	44.5	Very low	9 Å²	9	68 Å²	68	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-78.1	-29.5	-179.7	0	0	0	0	0	113.1	C7 K14 F16 L75 C76	C7-A79 HydrophobicContact CB-CB 4.45Å; K14-A79 HydrophobicContact CD-CB 4.44Å; K14-A79 WeakPolarHBondContact CD-O 3.13Å; K14-A79 PolarHBondContact NZ-O 2.86Å; F16-A79 HydrophobicContact CE1-CB 4.34Å; F16-A79 HydrophobicContact CE2-CB 3.4Å; F16-A79 VanDerWaalsContact CE2-CB 3.4Å; F16-A79 HydrophobicContact CZ-CB 3.22Å; L75-A79 VanDerWaalsContact O-CB 3.25Å; L75-A79 WeakPolarHBondContact O-CB 3.14Å; L75-A79 PolarHBondContact O-N 3.41Å; C76-A79 WeakPolarHBondContact O-CB 3.34Å; C76-A79 PolarHBondContact O-N 3.47Å
80	A	44.2	Very low	44.4	Very low	4 Å²	4	70.6 Å²	70.6	3%	0.033	42%	0.415	C	S	.	.	S	Bend	trans	-56.2	129.1	171.2	0	0	0	0	0	108.6	A9 D30 L32 C76 Q82	A9-A80 HydrophobicContact CB-CB 4.33Å; D30-A80 HydrophobicContact CB-CB 3.92Å; L32-A80 HydrophobicContact CD1-CB 3.74Å; L32-A80 HydrophobicContact CD2-CB 4.08Å; L32-A80 HydrophobicContact CG-CB 4.13Å; C76-A80 PolarHBondContact O-N 2.77Å; C76-A80 VanDerWaalsContact O-N 3.15Å; A80-Q82 PolarHBondContact O-N 2.61Å; A80-Q82 VanDerWaalsContact O-N 3.12Å
81	P	42.6	Very low	44.1	Very low	58 Å²	58	72.2 Å²	72.2	38%	0.377	41%	0.414	S	S	.	.			trans	-53.2	128.4	167.1	23.8	-28.6	0	0	0	106.7	S11 A83	S11-P81 WeakPolarHBondContact OG-CD 3.17Å; S11-P81 WeakPolarHBondContact OG-CG 3.3Å; P81-A83 PolarHBondContact O-N 3.16Å
82	Q	41.5	Very low	43.6	Very low	92 Å²	92	71 Å²	71	43%	0.43	42%	0.415	S	S	.	.			trans	-43.6	110.2	164	-66.5	-91.7	-48.9	0	0	105.3	P26 I27 A80 E84	P26-Q82 PolarHBondContact O-NE2 3.31Å; I27-Q82 VanDerWaalsContact N-NE2 3.15Å; I27-Q82 PolarHBondContact O-NE2 3.14Å; A80-Q82 PolarHBondContact O-N 2.61Å; A80-Q82 VanDerWaalsContact O-N 3.12Å; Q82-E84 PolarHBondContact O-N 3.31Å
83	A	37.9	Very low	42.8	Very low	53 Å²	53	75.1 Å²	75.1	44%	0.438	44%	0.439	S	S	.	.			trans	-57.5	91.9	159.5	0	0	0	0	0	103.1	P81 N85	P81-A83 PolarHBondContact O-N 3.16Å; A83-N85 PolarHBondContact O-N 2.84Å
84	E	34.3	Very low	42.2	Very low	168 Å²	168	78.6 Å²	78.6	79%	0.785	46%	0.456	S	S	*	.			trans	-47.3	122.5	175.9	-106	179.6	107.4	0	0	104.2	Q82 R86	Q82-E84 PolarHBondContact O-N 3.31Å; E84-R86 PolarHBondContact O-N 2.91Å
85	N	33.6	Very low	41.5	Very low	142 Å²	142	80.1 Å²	80.1	76%	0.759	46%	0.46	S	S	*	.			trans	-46.6	85.5	167.6	-81.4	-44.5	0	0	0	108.9	A83 S87	A83-N85 PolarHBondContact O-N 2.84Å; N85-S87 PolarHBondContact O-N 3.11Å
86	R	31.8	Very low	40.5	Very low	242 Å²	242	85.6 Å²	85.6	91%	0.913	49%	0.492	S	S	*	.			trans	-80	61	157.5	-74	-169	-179.4	-174.1	1.2	106.6	E84	E84-R86 PolarHBondContact O-N 2.91Å
87	S	30.3	Very low	39.4	Very low	112 Å²	112	92 Å²	92	78%	0.783	53%	0.529	S	S	*	.			trans	-120	78.9	158.8	-70	0	0	0	0	104.8	N85	N85-S87 PolarHBondContact O-N 3.11Å
88	G	26.2	Very low	38.4	Very low	62 Å²	62	97.3 Å²	97.3	64%	0.639	56%	0.561	S	S	*	*			trans	-151.2	142.6	173.6	0	0	0	0	0	106.8
89	P	41.1	Very low	37.3	Very low	211 Å²	211	104.8 Å²	104.8	100%	1.37	60%	0.6	S	S	*	*			trans	-56.6	0	-143.6	23.5	-36.2	0	0	0	117.1

Retrieved 89 of 89 residues in 58.6 ms (Link to these results)

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