A0A077Z7D6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7D6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 aa.

						>A0A077Z7D6_TRITR|A0A077Z7D6
MNKTFGVKYTYIDGELFGFPQRNSLVTFIGDAIERNKNWELASAGEHAYTHTQDYDEDDDRYVACARDSTKMVNLTAYYNEPSGGIETSQMKMLISHIDLDNDTTAGQSEENPKEMP
					

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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	28.9	Very low	29.4	Very low	205 Å²	205	108.9 Å²	108.9	100%	1.01	53%	0.533	S	S	*	.				0	102.4	0	-175.6	-173.6	-113.2	0	0	105.9	K3	M1-K3 HydrophobicContact CG-CG 4.37Å; M1-K3 PolarHBondContact O-N 3.22Å; M1-K3 VanDerWaalsContact O-N 3.17Å; M1-K3 VanDerWaalsContact SD-CE 3.56Å; M1-K3 HydrophobicContact SD-CG 4.48Å
2	N	27	Very low	30	Very low	170 Å²	170	102.8 Å²	102.8	91%	0.909	50%	0.504	S	S	*	.			trans	-73.1	105.8	179.6	-72	-0.7	0	0	0	108.1
3	K	24	Very low	30.5	Very low	131 Å²	131	107.5 Å²	107.5	57%	0.57	53%	0.532	S	S	*	.			trans	-99.5	110.3	170.4	-68.9	-171.8	-179.9	179	0	107.7	M1 F5	M1-K3 HydrophobicContact CG-CG 4.37Å; M1-K3 PolarHBondContact O-N 3.22Å; M1-K3 VanDerWaalsContact O-N 3.17Å; M1-K3 VanDerWaalsContact SD-CE 3.56Å; M1-K3 HydrophobicContact SD-CG 4.48Å; K3-F5 HydrophobicContact CB-CD2 4.28Å; K3-F5 HydrophobicContact CB-CE1 4.03Å; K3-F5 HydrophobicContact CB-CE2 3.54Å; K3-F5 HydrophobicContact CB-CZ 3.42Å; K3-F5 VanDerWaalsContact CB-CZ 3.42Å; K3-F5 HydrophobicContact CD-CE1 4.15Å; K3-F5 HydrophobicContact CD-CE2 4.3Å; K3-F5 HydrophobicContact CD-CZ 3.5Å; K3-F5 HydrophobicContact CG-CZ 4.11Å
4	T	25.6	Very low	30.6	Very low	125 Å²	125	104.7 Å²	104.7	77%	0.767	55%	0.545	S	S	*	.			trans	-77.4	119.9	167.7	-10.2	0	0	0	0	107.7
5	F	25.1	Very low	30.6	Very low	73 Å²	73	106.3 Å²	106.3	32%	0.32	55%	0.549	S	S	.	.			trans	-105.4	140.2	174.6	-63.2	-66	0	0	0	111.2	K3 I86	K3-F5 HydrophobicContact CB-CD2 4.28Å; K3-F5 HydrophobicContact CB-CE1 4.03Å; K3-F5 HydrophobicContact CB-CE2 3.54Å; K3-F5 HydrophobicContact CB-CZ 3.42Å; K3-F5 VanDerWaalsContact CB-CZ 3.42Å; K3-F5 HydrophobicContact CD-CE1 4.15Å; K3-F5 HydrophobicContact CD-CE2 4.3Å; K3-F5 HydrophobicContact CD-CZ 3.5Å; K3-F5 HydrophobicContact CG-CZ 4.11Å; F5-I86 HydrophobicContact CD1-CD1 3.97Å; F5-I86 HydrophobicContact CD1-CG1 3.84Å; F5-I86 HydrophobicContact CD1-CG2 4.03Å; F5-I86 HydrophobicContact CE1-CB 4.47Å; F5-I86 HydrophobicContact CE1-CD1 3.39Å; F5-I86 HydrophobicContact CE1-CG1 3.37Å; F5-I86 HydrophobicContact CE1-CG2 4.43Å; F5-I86 HydrophobicContact CZ-CD1 4.36Å; F5-I86 HydrophobicContact CZ-CG1 4.08Å
6	G	26	Very low	30.8	Very low	35 Å²	35	105.1 Å²	105.1	36%	0.361	54%	0.543	S	S	.	.			trans	-101.6	132.2	178.1	0	0	0	0	0	110.8	P20	G6-P20 VanDerWaalsContact CA-O 3.25Å; G6-P20 WeakPolarHBondContact CA-O 3.16Å
7	V	28.9	Very low	31.2	Very low	22 Å²	22	102.3 Å²	102.3	13%	0.133	53%	0.526	C	S	.	.			trans	-90.9	121.6	178.9	168.4	0	0	0	0	112	Y9 F19 Y79 M91	V7-Y9 PolarHBondContact O-N 2.71Å; V7-F19 CarbonylContact C-O 3.54Å; V7-F19 VanDerWaalsContact C-O 3.25Å; V7-F19 PolarHBondContact N-O 3.26Å; V7-F19 CarbonylContact O-C 3.28Å; V7-F19 VanDerWaalsContact O-C 3.28Å; V7-F19 WeakPolarHBondContact O-CA 3.49Å; V7-F19 WeakPolarHBondContact O-CB 3.37Å; V7-F19 PolarHBondContact O-N 2.73Å; V7-F19 VanDerWaalsContact O-N 3.15Å; V7-Y79 HydrophobicContact CB-CD1 4.39Å; V7-Y79 HydrophobicContact CB-CE1 3.89Å; V7-Y79 HydrophobicContact CG2-CD1 3.35Å; V7-Y79 HydrophobicContact CG2-CE1 3.28Å; V7-M91 HydrophobicContact CB-CE 3.76Å; V7-M91 HydrophobicContact CG1-CB 3.6Å; V7-M91 HydrophobicContact CG1-CE 3.45Å; V7-M91 VanDerWaalsContact CG1-CE 3.45Å; V7-M91 HydrophobicContact CG1-CG 4.27Å; V7-M91 HydrophobicContact CG1-SD 3.72Å; V7-M91 HydrophobicContact CG2-CE 4.09Å
8	K	34.8	Very low	31.5	Very low	153 Å²	153	98.9 Å²	98.9	67%	0.665	52%	0.52	S	S	*	.			trans	-76	-21.6	-159.6	-125.5	170.5	-175.1	175.7	0	115.9	G18	K8-G18 WeakPolarHBondContact O-CA 3.34Å
9	Y	31.9	Very low	32.4	Very low	124 Å²	124	94.3 Å²	94.3	49%	0.486	50%	0.495	S	S	.	.			trans	-158	149.4	178.9	-51	-77.4	0	0	0	115.3	V7 L16 F17	V7-Y9 PolarHBondContact O-N 2.71Å; Y9-L16 HydrophobicContact CD1-CD1 3.96Å; Y9-L16 HydrophobicContact CD1-CD2 3.51Å; Y9-L16 HydrophobicContact CD1-CG 3.58Å; Y9-L16 HydrophobicContact CE1-CD2 3.93Å; Y9-L16 HydrophobicContact CE1-CG 4.46Å; Y9-L16 HydrophobicContact CG-CD1 3.81Å; Y9-L16 HydrophobicContact CG-CD2 4.08Å; Y9-L16 HydrophobicContact CG-CG 3.99Å; Y9-F17 CarbonylContact C-O 3.48Å; Y9-F17 VanDerWaalsContact C-O 3.29Å; Y9-F17 WeakPolarHBondContact CA-O 3.25Å
10	T	39.6	Very low	32.7	Very low	6 Å²	6	94.7 Å²	94.7	4%	0.037	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.4	161.7	-164.7	0	0	0	0	110.2	I12 L16 F17 F19 F28 M93	T10-I12 HydrophobicContact CG2-CG1 4.3Å; T10-L16 CarbonylContact O-C 3.25Å; T10-L16 WeakPolarHBondContact O-CA 3.34Å; T10-F17 HydrophobicContact CG2-CB 3.89Å; T10-F17 HydrophobicContact CG2-CD2 4.43Å; T10-F17 PolarHBondContact N-O 3.37Å; T10-F17 PolarHBondContact O-N 3.37Å; T10-F19 HydrophobicContact CG2-CD2 4.49Å; T10-F19 HydrophobicContact CG2-CE2 3.36Å; T10-F19 HydrophobicContact CG2-CZ 3.76Å; T10-F28 HydrophobicContact CG2-CE1 4.03Å; T10-F28 HydrophobicContact CG2-CZ 4.41Å; T10-M93 HydrophobicContact CG2-CE 4.28Å; T10-M93 WeakPolarHBondContact OG1-CE 3.24Å; T10-M93 PolarHBondContact OG1-SD 2.76Å; T10-M93 VanDerWaalsContact OG1-SD 3.32Å
11	Y	32.1	Very low	33.2	Very low	154 Å²	154	96.5 Å²	96.5	60%	0.604	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.6	173.1	-77.1	-94.6	0	0	0	110.2	E15 L16	Y11-E15 VanDerWaalsContact CA-O 3.28Å; Y11-E15 WeakPolarHBondContact CA-O 3.03Å; Y11-L16 HydrophobicContact CD1-CD1 4.43Å; Y11-L16 HydrophobicContact CD2-CD1 3.98Å; Y11-L16 HydrophobicContact CE1-CB 4.31Å; Y11-L16 HydrophobicContact CE1-CD1 3.9Å; Y11-L16 HydrophobicContact CE2-CD1 3.38Å; Y11-L16 HydrophobicContact CG-CD1 4.48Å
12	I	36.7	Very low	33.9	Very low	36 Å²	36	91.3 Å²	91.3	19%	0.185	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.4	169.7	-59.6	-174.9	0	0	0	107.6	T10 G14 E15 F17 F28 M93	T10-I12 HydrophobicContact CG2-CG1 4.3Å; I12-G14 PolarHBondContact O-N 3.23Å; I12-G14 VanDerWaalsContact O-N 3.08Å; I12-E15 PolarHBondContact N-O 2.87Å; I12-E15 PolarHBondContact O-N 2.77Å; I12-F17 HydrophobicContact CB-CD2 4.36Å; I12-F17 HydrophobicContact CB-CE2 4.05Å; I12-F28 HydrophobicContact CD1-CE1 3.55Å; I12-F28 HydrophobicContact CD1-CZ 3.99Å; I12-M93 HydrophobicContact CG1-SD 4.35Å
13	D	36.7	Very low	34.8	Very low	163 Å²	163	88.8 Å²	88.8	87%	0.872	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	31.3	-179.5	-63.5	-23.7	0	0	0	115	E15	D13-E15 VanDerWaalsContact C-N 3.33Å
14	G	31.6	Very low	36.1	Very low	69 Å²	69	83.8 Å²	83.8	71%	0.711	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	0.3	-177.9	0	0	0	0	0	114.7	I12	I12-G14 PolarHBondContact O-N 3.23Å; I12-G14 VanDerWaalsContact O-N 3.08Å
15	E	30.6	Very low	37.3	Very low	129 Å²	129	77.9 Å²	77.9	60%	0.603	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.3	176.6	-65.6	-166.5	159.1	0	0	112.4	Y11 I12 D13 F17	Y11-E15 VanDerWaalsContact CA-O 3.28Å; Y11-E15 WeakPolarHBondContact CA-O 3.03Å; I12-E15 PolarHBondContact N-O 2.87Å; I12-E15 PolarHBondContact O-N 2.77Å; D13-E15 VanDerWaalsContact C-N 3.33Å; E15-F17 HydrophobicContact CB-CD2 4.41Å; E15-F17 HydrophobicContact CB-CE2 3.6Å; E15-F17 HydrophobicContact CB-CZ 3.92Å; E15-F17 WeakPolarHBondContact O-CD2 3.2Å; E15-F17 WeakPolarHBondContact OE2-CZ 3.35Å
16	L	33	Very low	38.6	Very low	87 Å²	87	77.9 Å²	77.9	46%	0.455	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121	-178.9	-174	82.4	0	0	0	110.7	Y9 T10 Y11	Y9-L16 HydrophobicContact CD1-CD1 3.96Å; Y9-L16 HydrophobicContact CD1-CD2 3.51Å; Y9-L16 HydrophobicContact CD1-CG 3.58Å; Y9-L16 HydrophobicContact CE1-CD2 3.93Å; Y9-L16 HydrophobicContact CE1-CG 4.46Å; Y9-L16 HydrophobicContact CG-CD1 3.81Å; Y9-L16 HydrophobicContact CG-CD2 4.08Å; Y9-L16 HydrophobicContact CG-CG 3.99Å; T10-L16 CarbonylContact O-C 3.25Å; T10-L16 WeakPolarHBondContact O-CA 3.34Å; Y11-L16 HydrophobicContact CD1-CD1 4.43Å; Y11-L16 HydrophobicContact CD2-CD1 3.98Å; Y11-L16 HydrophobicContact CE1-CB 4.31Å; Y11-L16 HydrophobicContact CE1-CD1 3.9Å; Y11-L16 HydrophobicContact CE2-CD1 3.38Å; Y11-L16 HydrophobicContact CG-CD1 4.48Å
17	F	38.8	Very low	39.9	Very low	57 Å²	57	80 Å²	80	25%	0.25	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.8	178.2	-62.5	-87.1	0	0	0	111.3	Y9 T10 I12 E15 F19 F28	Y9-F17 CarbonylContact C-O 3.48Å; Y9-F17 VanDerWaalsContact C-O 3.29Å; Y9-F17 WeakPolarHBondContact CA-O 3.25Å; T10-F17 HydrophobicContact CG2-CB 3.89Å; T10-F17 HydrophobicContact CG2-CD2 4.43Å; T10-F17 PolarHBondContact N-O 3.37Å; T10-F17 PolarHBondContact O-N 3.37Å; I12-F17 HydrophobicContact CB-CD2 4.36Å; I12-F17 HydrophobicContact CB-CE2 4.05Å; E15-F17 HydrophobicContact CB-CD2 4.41Å; E15-F17 HydrophobicContact CB-CE2 3.6Å; E15-F17 HydrophobicContact CB-CZ 3.92Å; E15-F17 WeakPolarHBondContact O-CD2 3.2Å; E15-F17 WeakPolarHBondContact OE2-CZ 3.35Å; F17-F19 HydrophobicContact CB-CE1 4.4Å; F17-F19 HydrophobicContact CB-CZ 3.79Å; F17-F28 HydrophobicContact CB-CE1 4.49Å; F17-F28 HydrophobicContact CB-CE2 3.79Å; F17-F28 HydrophobicContact CB-CZ 3.67Å; F17-F28 AromaticContact CD1-CE2 3.4Å; F17-F28 HydrophobicContact CD1-CE2 3.4Å; F17-F28 AromaticContact CD1-CZ 3.67Å; F17-F28 HydrophobicContact CD1-CZ 3.67Å; F17-F28 HydrophobicContact CD2-CE2 4.31Å; F17-F28 AromaticContact CD2-CZ 3.7Å; F17-F28 HydrophobicContact CD2-CZ 3.7Å; F17-F28 AromaticContact CE1-CE2 4Å; F17-F28 HydrophobicContact CE1-CE2 4Å; F17-F28 HydrophobicContact CE1-CZ 4.19Å; F17-F28 HydrophobicContact CE2-CZ 4.22Å; F17-F28 AromaticContact CG-CE2 3.58Å; F17-F28 HydrophobicContact CG-CE2 3.58Å; F17-F28 AromaticContact CG-CZ 3.4Å; F17-F28 HydrophobicContact CG-CZ 3.4Å; F17-F28 HydrophobicContact CZ-CZ 4.45Å
18	G	36.4	Very low	41.2	Very low	41 Å²	41	80.4 Å²	80.4	42%	0.423	42%	0.422	S	S	.	.			trans	-96.9	137.2	-179.8	0	0	0	0	0	115.9	K8	K8-G18 WeakPolarHBondContact O-CA 3.34Å
19	F	47.2	Very low	42.2	Very low	12 Å²	12	73.8 Å²	73.8	5%	0.053	39%	0.394	C	S	.	.			trans	-116.6	101.1	-179.2	-60.3	-50.2	0	0	0	113.3	V7 T10 F17 Q21 S24 L25 F28	V7-F19 CarbonylContact C-O 3.54Å; V7-F19 VanDerWaalsContact C-O 3.25Å; V7-F19 PolarHBondContact N-O 3.26Å; V7-F19 CarbonylContact O-C 3.28Å; V7-F19 VanDerWaalsContact O-C 3.28Å; V7-F19 WeakPolarHBondContact O-CA 3.49Å; V7-F19 WeakPolarHBondContact O-CB 3.37Å; V7-F19 PolarHBondContact O-N 2.73Å; V7-F19 VanDerWaalsContact O-N 3.15Å; T10-F19 HydrophobicContact CG2-CD2 4.49Å; T10-F19 HydrophobicContact CG2-CE2 3.36Å; T10-F19 HydrophobicContact CG2-CZ 3.76Å; F17-F19 HydrophobicContact CB-CE1 4.4Å; F17-F19 HydrophobicContact CB-CZ 3.79Å; F19-Q21 PolarHBondContact O-N 3.09Å; F19-Q21 VanDerWaalsContact O-N 3.08Å; F19-S24 WeakPolarHBondContact CA-OG 3.21Å; F19-S24 VanDerWaalsContact CB-OG 3.27Å; F19-S24 WeakPolarHBondContact CB-OG 3.41Å; F19-L25 HydrophobicContact CD2-CD1 3.93Å; F19-L25 HydrophobicContact CE2-CD1 3.87Å; F19-F28 HydrophobicContact CD1-CB 3.87Å; F19-F28 HydrophobicContact CD1-CD2 4.47Å; F19-F28 HydrophobicContact CD1-CG 4.15Å; F19-F28 HydrophobicContact CE1-CB 3.21Å; F19-F28 AromaticContact CE1-CD1 3.64Å; F19-F28 HydrophobicContact CE1-CD1 3.64Å; F19-F28 AromaticContact CE1-CD2 3.22Å; F19-F28 HydrophobicContact CE1-CD2 3.22Å; F19-F28 HydrophobicContact CE1-CE1 4.23Å; F19-F28 AromaticContact CE1-CE2 3.88Å; F19-F28 HydrophobicContact CE1-CE2 3.88Å; F19-F28 AromaticContact CE1-CG 3.05Å; F19-F28 HydrophobicContact CE1-CG 3.05Å; F19-F28 HydrophobicContact CE1-CZ 4.34Å; F19-F28 AromaticContact CE2-CD1 3.84Å; F19-F28 HydrophobicContact CE2-CD1 3.84Å; F19-F28 HydrophobicContact CE2-CE1 4.15Å; F19-F28 HydrophobicContact CE2-CG 4.14Å; F19-F28 HydrophobicContact CZ-CB 3.64Å; F19-F28 AromaticContact CZ-CD1 3.07Å; F19-F28 HydrophobicContact CZ-CD1 3.07Å; F19-F28 AromaticContact CZ-CD2 3.41Å; F19-F28 HydrophobicContact CZ-CD2 3.41Å; F19-F28 VanDerWaalsContact CZ-CD2 3.41Å; F19-F28 AromaticContact CZ-CE1 3.39Å; F19-F28 HydrophobicContact CZ-CE1 3.39Å; F19-F28 AromaticContact CZ-CE2 3.7Å; F19-F28 HydrophobicContact CZ-CE2 3.7Å; F19-F28 AromaticContact CZ-CG 3.06Å; F19-F28 HydrophobicContact CZ-CG 3.06Å; F19-F28 AromaticContact CZ-CZ 3.69Å; F19-F28 HydrophobicContact CZ-CZ 3.69Å
20	P	38.2	Very low	43.4	Very low	102 Å²	102	69.2 Å²	69.2	66%	0.662	39%	0.385	S	S	*	.	S	Bend	trans	-66.4	-14.6	-177.3	24.9	-32	0	0	0	114.2	G6	G6-P20 VanDerWaalsContact CA-O 3.25Å; G6-P20 WeakPolarHBondContact CA-O 3.16Å
21	Q	44.3	Very low	44.3	Very low	132 Å²	132	72 Å²	72	62%	0.617	40%	0.399	S	S	*	.	S	Bend	trans	-151.7	152.8	-173.6	-61.4	-175.6	-8.8	0	0	113.7	F19 N23 S24	F19-Q21 PolarHBondContact O-N 3.09Å; F19-Q21 VanDerWaalsContact O-N 3.08Å; Q21-N23 VanDerWaalsContact C-N 3.26Å; Q21-N23 PolarHBondContact O-N 2.95Å; Q21-S24 PolarHBondContact N-OG 3.21Å; Q21-S24 VanDerWaalsContact N-OG 3.13Å; Q21-S24 WeakPolarHBondContact O-CA 3.26Å; Q21-S24 WeakPolarHBondContact O-CB 3.49Å; Q21-S24 PolarHBondContact O-N 2.73Å; Q21-S24 PolarHBondContact O-OG 2.87Å
22	R	42.9	Very low	45.3	Very low	96 Å²	96	65.8 Å²	65.8	36%	0.362	38%	0.38	S	S	.	.	H	α-helix	trans	-49.2	-42.6	175.4	-175.5	172.9	173.3	138.5	14.4	113.2	S24 L25 D60 Y62	R22-S24 PolarHBondContact O-N 2.78Å; R22-L25 PolarHBondContact O-N 3.38Å; R22-D60 IonicContact CZ-OD2 3.44Å; R22-D60 IonicContact NH1-OD2 2.77Å; R22-D60 PolarHBondContact NH1-OD2 3.31Å; R22-D60 IonicContact NH2-OD2 3.73Å; R22-Y62 WeakPolarHBondContact CD-OH 3.05Å; R22-Y62 HydrophobicContact CG-CE2 3.9Å; R22-Y62 WeakPolarHBondContact CG-OH 3.4Å; R22-Y62 PolarHBondContact NE-OH 2.81Å; R22-Y62 PolarHBondContact NH2-OH 3.33Å
23	N	47.4	Very low	46	Very low	118 Å²	118	64.7 Å²	64.7	63%	0.631	38%	0.375	S	S	*	.	H	α-helix	trans	-66	-22.9	176.6	-64.4	-8.5	0	0	0	113.3	Q21 T27	Q21-N23 VanDerWaalsContact C-N 3.26Å; Q21-N23 PolarHBondContact O-N 2.95Å; N23-T27 PolarHBondContact O-N 3.01Å; N23-T27 PolarHBondContact O-OG1 2.9Å
24	S	51.3	Low	46.9	Very low	26 Å²	26	64 Å²	64	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-77.8	-18.4	-179.6	66.3	0	0	0	0	113.8	F19 Q21 R22 F28	F19-S24 WeakPolarHBondContact CA-OG 3.21Å; F19-S24 VanDerWaalsContact CB-OG 3.27Å; F19-S24 WeakPolarHBondContact CB-OG 3.41Å; Q21-S24 PolarHBondContact N-OG 3.21Å; Q21-S24 VanDerWaalsContact N-OG 3.13Å; Q21-S24 WeakPolarHBondContact O-CA 3.26Å; Q21-S24 WeakPolarHBondContact O-CB 3.49Å; Q21-S24 PolarHBondContact O-N 2.73Å; Q21-S24 PolarHBondContact O-OG 2.87Å; R22-S24 PolarHBondContact O-N 2.78Å; S24-F28 WeakPolarHBondContact O-CB 3.47Å; S24-F28 PolarHBondContact O-N 2.85Å
25	L	50.9	Low	47.9	Very low	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-71.9	-44.9	172.7	-178	67.9	0	0	0	111.2	F19 R22 F28 I29 Y62 A77 Y79 M91 M93	F19-L25 HydrophobicContact CD2-CD1 3.93Å; F19-L25 HydrophobicContact CE2-CD1 3.87Å; R22-L25 PolarHBondContact O-N 3.38Å; L25-F28 PolarHBondContact O-N 3.4Å; L25-I29 HydrophobicContact CD1-CD1 4.01Å; L25-I29 HydrophobicContact CD1-CG1 4.22Å; L25-I29 HydrophobicContact CD2-CD1 4.31Å; L25-I29 HydrophobicContact CG-CD1 3.85Å; L25-I29 HydrophobicContact CG-CG1 4.4Å; L25-I29 WeakPolarHBondContact O-CB 3.31Å; L25-I29 VanDerWaalsContact O-CG1 3.31Å; L25-I29 WeakPolarHBondContact O-CG1 2.93Å; L25-I29 PolarHBondContact O-N 3.32Å; L25-Y62 HydrophobicContact CD2-CD2 4.42Å; L25-Y62 HydrophobicContact CD2-CG 3.99Å; L25-A77 HydrophobicContact CD2-CB 3.81Å; L25-Y79 HydrophobicContact CD2-CE2 4.11Å; L25-Y79 WeakPolarHBondContact CD2-OH 3.26Å; L25-M91 HydrophobicContact CD2-CE 4.48Å; L25-M93 HydrophobicContact CD1-CE 4.41Å
26	V	50.4	Low	48.8	Very low	73 Å²	73	67.9 Å²	67.9	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-45.2	178.3	178.2	0	0	0	0	110.5	F28 I29 G30 Y62	V26-F28 VanDerWaalsContact C-N 3.33Å; V26-F28 PolarHBondContact O-N 2.76Å; V26-I29 PolarHBondContact O-N 2.78Å; V26-G30 PolarHBondContact O-N 2.84Å; V26-Y62 HydrophobicContact CG2-CD1 4.33Å; V26-Y62 HydrophobicContact CG2-CE1 4.05Å
27	T	54.8	Low	49.8	Very low	81 Å²	81	73 Å²	73	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-42.4	173.2	-56.6	0	0	0	0	111.2	N23 G30 D31	N23-T27 PolarHBondContact O-N 3.01Å; N23-T27 PolarHBondContact O-OG1 2.9Å; T27-G30 CarbonylContact O-C 3.59Å; T27-G30 PolarHBondContact O-N 2.85Å; T27-D31 WeakPolarHBondContact O-CB 3.22Å; T27-D31 PolarHBondContact O-N 3.04Å
28	F	56.1	Low	50.5	Low	30 Å²	30	76.5 Å²	76.5	13%	0.132	40%	0.4	C	S	.	.	H	α-helix	trans	-66.6	-42.7	178.9	175.5	-98.6	0	0	0	113.6	T10 I12 F17 F19 S24 L25 V26 G30 D31 A32	T10-F28 HydrophobicContact CG2-CE1 4.03Å; T10-F28 HydrophobicContact CG2-CZ 4.41Å; I12-F28 HydrophobicContact CD1-CE1 3.55Å; I12-F28 HydrophobicContact CD1-CZ 3.99Å; F17-F28 HydrophobicContact CB-CE1 4.49Å; F17-F28 HydrophobicContact CB-CE2 3.79Å; F17-F28 HydrophobicContact CB-CZ 3.67Å; F17-F28 AromaticContact CD1-CE2 3.4Å; F17-F28 HydrophobicContact CD1-CE2 3.4Å; F17-F28 AromaticContact CD1-CZ 3.67Å; F17-F28 HydrophobicContact CD1-CZ 3.67Å; F17-F28 HydrophobicContact CD2-CE2 4.31Å; F17-F28 AromaticContact CD2-CZ 3.7Å; F17-F28 HydrophobicContact CD2-CZ 3.7Å; F17-F28 AromaticContact CE1-CE2 4Å; F17-F28 HydrophobicContact CE1-CE2 4Å; F17-F28 HydrophobicContact CE1-CZ 4.19Å; F17-F28 HydrophobicContact CE2-CZ 4.22Å; F17-F28 AromaticContact CG-CE2 3.58Å; F17-F28 HydrophobicContact CG-CE2 3.58Å; F17-F28 AromaticContact CG-CZ 3.4Å; F17-F28 HydrophobicContact CG-CZ 3.4Å; F17-F28 HydrophobicContact CZ-CZ 4.45Å; F19-F28 HydrophobicContact CD1-CB 3.87Å; F19-F28 HydrophobicContact CD1-CD2 4.47Å; F19-F28 HydrophobicContact CD1-CG 4.15Å; F19-F28 HydrophobicContact CE1-CB 3.21Å; F19-F28 AromaticContact CE1-CD1 3.64Å; F19-F28 HydrophobicContact CE1-CD1 3.64Å; F19-F28 AromaticContact CE1-CD2 3.22Å; F19-F28 HydrophobicContact CE1-CD2 3.22Å; F19-F28 HydrophobicContact CE1-CE1 4.23Å; F19-F28 AromaticContact CE1-CE2 3.88Å; F19-F28 HydrophobicContact CE1-CE2 3.88Å; F19-F28 AromaticContact CE1-CG 3.05Å; F19-F28 HydrophobicContact CE1-CG 3.05Å; F19-F28 HydrophobicContact CE1-CZ 4.34Å; F19-F28 AromaticContact CE2-CD1 3.84Å; F19-F28 HydrophobicContact CE2-CD1 3.84Å; F19-F28 HydrophobicContact CE2-CE1 4.15Å; F19-F28 HydrophobicContact CE2-CG 4.14Å; F19-F28 HydrophobicContact CZ-CB 3.64Å; F19-F28 AromaticContact CZ-CD1 3.07Å; F19-F28 HydrophobicContact CZ-CD1 3.07Å; F19-F28 AromaticContact CZ-CD2 3.41Å; F19-F28 HydrophobicContact CZ-CD2 3.41Å; F19-F28 VanDerWaalsContact CZ-CD2 3.41Å; F19-F28 AromaticContact CZ-CE1 3.39Å; F19-F28 HydrophobicContact CZ-CE1 3.39Å; F19-F28 AromaticContact CZ-CE2 3.7Å; F19-F28 HydrophobicContact CZ-CE2 3.7Å; F19-F28 AromaticContact CZ-CG 3.06Å; F19-F28 HydrophobicContact CZ-CG 3.06Å; F19-F28 AromaticContact CZ-CZ 3.69Å; F19-F28 HydrophobicContact CZ-CZ 3.69Å; S24-F28 WeakPolarHBondContact O-CB 3.47Å; S24-F28 PolarHBondContact O-N 2.85Å; L25-F28 PolarHBondContact O-N 3.4Å; V26-F28 VanDerWaalsContact C-N 3.33Å; V26-F28 PolarHBondContact O-N 2.76Å; F28-G30 VanDerWaalsContact C-N 3.29Å; F28-D31 PolarHBondContact O-N 2.88Å; F28-A32 VanDerWaalsContact O-CB 3.26Å; F28-A32 WeakPolarHBondContact O-CB 3.49Å; F28-A32 PolarHBondContact O-N 3.48Å
29	I	56	Low	51	Low	13 Å²	13	77.3 Å²	77.3	7%	0.067	39%	0.39	C	S	.	.	H	α-helix	trans	-63.2	-42.3	174.7	-68.2	170.6	0	0	0	109.1	L25 V26 A32 I33 A64 L75	L25-I29 HydrophobicContact CD1-CD1 4.01Å; L25-I29 HydrophobicContact CD1-CG1 4.22Å; L25-I29 HydrophobicContact CD2-CD1 4.31Å; L25-I29 HydrophobicContact CG-CD1 3.85Å; L25-I29 HydrophobicContact CG-CG1 4.4Å; L25-I29 WeakPolarHBondContact O-CB 3.31Å; L25-I29 VanDerWaalsContact O-CG1 3.31Å; L25-I29 WeakPolarHBondContact O-CG1 2.93Å; L25-I29 PolarHBondContact O-N 3.32Å; V26-I29 PolarHBondContact O-N 2.78Å; I29-A32 PolarHBondContact O-N 2.75Å; I29-I33 HydrophobicContact CG2-CD1 3.71Å; I29-I33 HydrophobicContact CG2-CG1 4.44Å; I29-I33 WeakPolarHBondContact O-CB 3.39Å; I29-I33 WeakPolarHBondContact O-CD1 3.34Å; I29-I33 WeakPolarHBondContact O-CG1 3.26Å; I29-I33 PolarHBondContact O-N 3.29Å; I29-A64 HydrophobicContact CD1-CB 3.94Å; I29-A64 HydrophobicContact CG2-CB 3.68Å; I29-L75 HydrophobicContact CG1-CD1 4.37Å; I29-L75 HydrophobicContact CG2-CD1 4.04Å
30	G	56	Low	51.2	Low	29 Å²	29	82 Å²	82	30%	0.299	41%	0.412	S	S	.	.	H	α-helix	trans	-56.2	-49.4	171.7	0	0	0	0	0	112.8	V26 T27 F28 I33 E34	V26-G30 PolarHBondContact O-N 2.84Å; T27-G30 CarbonylContact O-C 3.59Å; T27-G30 PolarHBondContact O-N 2.85Å; F28-G30 VanDerWaalsContact C-N 3.29Å; G30-I33 PolarHBondContact O-N 3.15Å; G30-E34 WeakPolarHBondContact O-CB 3.4Å; G30-E34 PolarHBondContact O-N 3.38Å
31	D	58.7	Low	51.9	Low	63 Å²	63	81.1 Å²	81.1	34%	0.337	40%	0.402	S	S	.	.	H	α-helix	trans	-64.8	-40	178.6	-72.5	-2.8	0	0	0	111.8	T27 F28 I33 E34 R35	T27-D31 WeakPolarHBondContact O-CB 3.22Å; T27-D31 PolarHBondContact O-N 3.04Å; F28-D31 PolarHBondContact O-N 2.88Å; D31-I33 VanDerWaalsContact C-N 3.33Å; D31-E34 PolarHBondContact O-N 3.26Å; D31-R35 WeakPolarHBondContact O-CB 3.48Å; D31-R35 WeakPolarHBondContact O-CG 3.47Å; D31-R35 PolarHBondContact O-N 2.79Å
32	A	53.2	Low	51.9	Low	25 Å²	25	77.2 Å²	77.2	21%	0.207	39%	0.392	C	S	.	.	H	α-helix	trans	-66.3	-38.2	177.9	0	0	0	0	0	111.1	F28 I29 N36	F28-A32 VanDerWaalsContact O-CB 3.26Å; F28-A32 WeakPolarHBondContact O-CB 3.49Å; F28-A32 PolarHBondContact O-N 3.48Å; I29-A32 PolarHBondContact O-N 2.75Å; A32-N36 PolarHBondContact O-N 2.87Å; A32-N36 PolarHBondContact O-ND2 3.27Å
33	I	52.1	Low	52.1	Low	13 Å²	13	75.8 Å²	75.8	7%	0.067	40%	0.396	C	S	.	.	H	α-helix	trans	-68.2	-46.5	172.6	-68.1	167.3	0	0	0	110	I29 G30 D31 R35 N36 W39 L41 A66	I29-I33 HydrophobicContact CG2-CD1 3.71Å; I29-I33 HydrophobicContact CG2-CG1 4.44Å; I29-I33 WeakPolarHBondContact O-CB 3.39Å; I29-I33 WeakPolarHBondContact O-CD1 3.34Å; I29-I33 WeakPolarHBondContact O-CG1 3.26Å; I29-I33 PolarHBondContact O-N 3.29Å; G30-I33 PolarHBondContact O-N 3.15Å; D31-I33 VanDerWaalsContact C-N 3.33Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 3.31Å; I33-N36 CarbonylContact O-C 3.49Å; I33-N36 VanDerWaalsContact O-C 3.23Å; I33-N36 WeakPolarHBondContact O-CA 3.42Å; I33-N36 PolarHBondContact O-N 2.83Å; I33-N36 VanDerWaalsContact O-N 3.09Å; I33-W39 HydrophobicContact CG2-CB 4.13Å; I33-W39 VanDerWaalsContact CG2-O 3.24Å; I33-W39 WeakPolarHBondContact CG2-O 3.27Å; I33-L41 HydrophobicContact CD1-CB 3.94Å; I33-L41 HydrophobicContact CD1-CD1 3.37Å; I33-L41 HydrophobicContact CD1-CG 4.22Å; I33-L41 HydrophobicContact CG2-CB 4.4Å; I33-A66 HydrophobicContact CD1-CB 3.79Å; I33-A66 HydrophobicContact CG1-CB 3.81Å
34	E	54.1	Low	52	Low	149 Å²	149	73.1 Å²	73.1	70%	0.696	39%	0.391	S	S	*	.	H	α-helix	trans	-63.7	-36.4	-179.6	-170.3	177.6	-172.7	0	0	112.7	G30 D31 N36	G30-E34 WeakPolarHBondContact O-CB 3.4Å; G30-E34 PolarHBondContact O-N 3.38Å; D31-E34 PolarHBondContact O-N 3.26Å; E34-N36 VanDerWaalsContact C-N 3.32Å
35	R	53.3	Low	51.4	Low	197 Å²	197	73.4 Å²	73.4	74%	0.743	40%	0.398	S	S	*	.	H	α-helix	trans	-67.1	-34.3	173.8	-75	174.4	-173	-160.1	4.4	112.2	D31 I33 K37	D31-R35 WeakPolarHBondContact O-CB 3.48Å; D31-R35 WeakPolarHBondContact O-CG 3.47Å; D31-R35 PolarHBondContact O-N 2.79Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 3.31Å; R35-K37 PolarHBondContact O-N 2.9Å
36	N	50.6	Low	50.8	Low	82 Å²	82	80 Å²	80	44%	0.439	43%	0.429	S	S	.	.	S	Bend	trans	-87.6	78.1	172.9	-74.8	-72.5	0	0	0	109.1	A32 I33 E34 N38 W39	A32-N36 PolarHBondContact O-N 2.87Å; A32-N36 PolarHBondContact O-ND2 3.27Å; I33-N36 CarbonylContact O-C 3.49Å; I33-N36 VanDerWaalsContact O-C 3.23Å; I33-N36 WeakPolarHBondContact O-CA 3.42Å; I33-N36 PolarHBondContact O-N 2.83Å; I33-N36 VanDerWaalsContact O-N 3.09Å; E34-N36 VanDerWaalsContact C-N 3.32Å; N36-N38 PolarHBondContact O-N 2.8Å; N36-W39 HydrophobicContact CB-CB 4.06Å; N36-W39 HydrophobicContact CB-CD2 4.19Å; N36-W39 HydrophobicContact CB-CG 3.77Å; N36-W39 WeakPolarHBondContact O-CB 3.3Å; N36-W39 PolarHBondContact O-N 3.46Å
37	K	53.1	Low	50.1	Low	194 Å²	194	83.7 Å²	83.7	84%	0.843	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-8.7	-174.4	-64.2	-174.4	178.6	-177.5	0	117.5	R35	R35-K37 PolarHBondContact O-N 2.9Å
38	N	54.5	Low	48.9	Very low	131 Å²	131	81.8 Å²	81.8	70%	0.701	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-4.8	175.7	-61.4	-19.8	0	0	0	112.7	N36 D68	N36-N38 PolarHBondContact O-N 2.8Å; N38-D68 HydrophobicContact CB-CB 4.39Å; N38-D68 WeakPolarHBondContact O-CA 3.48Å; N38-D68 WeakPolarHBondContact O-CB 3.48Å
39	W	45.6	Very low	47.5	Very low	58 Å²	58	91.3 Å²	91.3	22%	0.22	47%	0.47	C	S	.	.			trans	-102	125.7	-174.1	-70.9	31.6	0	0	0	109.3	I33 N36 A66 R67 D68 K71 V73	I33-W39 HydrophobicContact CG2-CB 4.13Å; I33-W39 VanDerWaalsContact CG2-O 3.24Å; I33-W39 WeakPolarHBondContact CG2-O 3.27Å; N36-W39 HydrophobicContact CB-CB 4.06Å; N36-W39 HydrophobicContact CB-CD2 4.19Å; N36-W39 HydrophobicContact CB-CG 3.77Å; N36-W39 WeakPolarHBondContact O-CB 3.3Å; N36-W39 PolarHBondContact O-N 3.46Å; W39-A66 HydrophobicContact CD2-CB 4.49Å; W39-A66 HydrophobicContact CE3-CB 3.52Å; W39-A66 HydrophobicContact CZ3-CB 4.01Å; W39-R67 CarbonylContact C-O 3.58Å; W39-R67 VanDerWaalsContact CA-O 3.26Å; W39-R67 WeakPolarHBondContact CA-O 3.37Å; W39-D68 HydrophobicContact CG-CB 4.41Å; W39-D68 PolarHBondContact NE1-OD2 2.99Å; W39-K71 HydrophobicContact CZ2-CD 4.46Å; W39-V73 HydrophobicContact CH2-CB 4.15Å; W39-V73 HydrophobicContact CH2-CG2 3.58Å; W39-V73 HydrophobicContact CZ2-CG2 4.29Å; W39-V73 HydrophobicContact CZ3-CB 4.05Å; W39-V73 HydrophobicContact CZ3-CG1 4.45Å; W39-V73 HydrophobicContact CZ3-CG2 3.99Å
40	E	51.1	Low	46.1	Very low	111 Å²	111	93.9 Å²	93.9	52%	0.519	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.7	171.2	-64	-179.7	165.3	0	0	108.5	A42 A66 R67	E40-A42 PolarHBondContact O-N 2.8Å; E40-A66 WeakPolarHBondContact O-CA 3.04Å; E40-R67 HydrophobicContact CB-CG 4.24Å; E40-R67 PolarHBondContact N-O 2.74Å; E40-R67 PolarHBondContact O-N 2.81Å; E40-R67 IonicContact OE2-CZ 3.55Å; E40-R67 IonicContact OE2-NE 3.23Å; E40-R67 PolarHBondContact OE2-NE 2.99Å; E40-R67 IonicContact OE2-NH2 2.75Å; E40-R67 PolarHBondContact OE2-NH2 2.98Å
41	L	53.5	Low	44.7	Very low	83 Å²	83	101.3 Å²	101.3	44%	0.435	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	106.2	167.6	-177.8	69.6	0	0	0	107.9	I33 A44 A64	I33-L41 HydrophobicContact CD1-CB 3.94Å; I33-L41 HydrophobicContact CD1-CD1 3.37Å; I33-L41 HydrophobicContact CD1-CG 4.22Å; I33-L41 HydrophobicContact CG2-CB 4.4Å; L41-A44 HydrophobicContact CD1-CB 4.15Å; L41-A44 HydrophobicContact CD2-CB 3.81Å; L41-A44 HydrophobicContact CG-CB 4.33Å; L41-A64 HydrophobicContact CD1-CB 4.45Å
42	A	45.3	Very low	43.4	Very low	49 Å²	49	101.8 Å²	101.8	41%	0.405	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-34.5	-178.1	0	0	0	0	0	111.3	E40 C65 R67	E40-A42 PolarHBondContact O-N 2.8Å; A42-C65 HydrophobicContact CB-CB 4.17Å; A42-C65 PolarHBondContact N-O 3.12Å; A42-R67 HydrophobicContact CB-CB 4.37Å; A42-R67 HydrophobicContact CB-CG 4.06Å
43	S	46.5	Very low	42.2	Very low	66 Å²	66	108.5 Å²	108.5	46%	0.462	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	138.8	169.3	59.8	0	0	0	0	110.7	C65	S43-C65 PolarHBondContact N-O 2.66Å; S43-C65 PolarHBondContact O-N 2.93Å
44	A	44.3	Very low	41.6	Very low	63 Å²	63	115.2 Å²	115.2	52%	0.521	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122	113	159.9	0	0	0	0	0	106.7	L41	L41-A44 HydrophobicContact CD1-CB 4.15Å; L41-A44 HydrophobicContact CD2-CB 3.81Å; L41-A44 HydrophobicContact CG-CB 4.33Å
45	G	38.6	Very low	40.9	Very low	32 Å²	32	115.2 Å²	115.2	33%	0.33	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.9	124.2	175.2	0	0	0	0	0	109.4	H47	G45-H47 PolarHBondContact O-N 3.35Å
46	E	39.5	Very low	40.7	Very low	139 Å²	139	112.5 Å²	112.5	65%	0.65	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	119.6	145.6	-68.9	-176.2	142.4	0	0	104.9
47	H	35.6	Very low	40.6	Very low	150 Å²	150	118.1 Å²	118.1	69%	0.694	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.2	52	-175.8	-39.3	-69	0	0	0	117.6	G45 Y49	G45-H47 PolarHBondContact O-N 3.35Å; H47-Y49 WeakPolarHBondContact O-CD2 3.47Å; H47-Y49 PolarHBondContact O-N 2.89Å
48	A	29.4	Very low	40.6	Very low	41 Å²	41	115 Å²	115	34%	0.339	59%	0.593	S	S	.	*			trans	-67.3	106.2	160.6	0	0	0	0	0	110	T50 V63	A48-T50 PolarHBondContact O-N 2.76Å; A48-V63 HydrophobicContact CB-CB 3.34Å; A48-V63 HydrophobicContact CB-CG1 3.88Å; A48-V63 HydrophobicContact CB-CG2 3.5Å
49	Y	26.2	Very low	40.7	Very low	229 Å²	229	110.8 Å²	110.8	90%	0.898	57%	0.57	S	S	*	*			trans	-56.9	101.1	177.3	-75.8	-97.2	0	0	0	111.3	H47	H47-Y49 WeakPolarHBondContact O-CD2 3.47Å; H47-Y49 PolarHBondContact O-N 2.89Å
50	T	27.6	Very low	41.1	Very low	67 Å²	67	111.6 Å²	111.6	41%	0.411	58%	0.579	S	S	.	*			trans	-99.7	100.1	159.1	51.6	0	0	0	0	108.7	A48 T52 R61	A48-T50 PolarHBondContact O-N 2.76Å; T50-T52 PolarHBondContact O-N 3.47Å; T50-R61 PolarHBondContact OG1-NH1 3Å
51	H	26.5	Very low	41.1	Very low	185 Å²	185	108.8 Å²	108.8	86%	0.856	56%	0.563	S	S	*	*			trans	-67.6	79.7	164.4	-163.3	73.6	0	0	0	108.4
52	T	29.8	Very low	41	Very low	74 Å²	74	105.7 Å²	105.7	45%	0.454	55%	0.546	S	S	.	.			trans	-124.4	107.1	167.2	49	0	0	0	0	106.9	T50 R61	T50-T52 PolarHBondContact O-N 3.47Å; T52-R61 PolarHBondContact OG1-NH1 3.21Å
53	Q	29.3	Very low	41.2	Very low	166 Å²	166	104.3 Å²	104.3	78%	0.776	53%	0.532	S	S	*	.	S	Bend	trans	-44.7	139.9	167.3	-71.8	168.1	-14.1	0	0	109.5
54	D	38.2	Very low	41.5	Very low	154 Å²	154	101.4 Å²	101.4	82%	0.824	51%	0.513	S	S	*	.			trans	88.3	42.8	169.3	-49.1	-25.8	0	0	0	119.8
55	Y	40.5	Very low	41.9	Very low	149 Å²	149	99.4 Å²	99.4	58%	0.584	50%	0.495	S	S	*	.			trans	-126.3	137.7	164.5	-68.3	-86.5	0	0	0	112.3
56	D	49.6	Very low	42.7	Very low	139 Å²	139	98 Å²	98	74%	0.743	48%	0.479	S	S	*	.			trans	-56.1	141.8	176.3	-82.3	-39.6	0	0	0	110.4	D58 D59	D56-D58 PolarHBondContact O-N 3.13Å; D56-D59 PolarHBondContact O-N 2.55Å
57	E	48.1	Very low	43.2	Very low	201 Å²	201	96.6 Å²	96.6	94%	0.939	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-1.2	-174	-62.9	-177.9	153.9	0	0	114.7
58	D	53	Low	44.3	Very low	128 Å²	128	90.5 Å²	90.5	68%	0.684	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	0	-176.9	-66.3	-32.1	0	0	0	114.1	D56 D60	D56-D58 PolarHBondContact O-N 3.13Å; D58-D60 PolarHBondContact O-N 2.82Å
59	D	55.4	Low	45.8	Very low	43 Å²	43	93.6 Å²	93.6	23%	0.23	46%	0.46	C	S	.	.			trans	-86.6	99	179.2	-80.3	-16.1	0	0	0	112.2	D56 N80	D56-D59 PolarHBondContact O-N 2.55Å; D59-N80 PolarHBondContact OD1-ND2 2.87Å
60	D	54.7	Low	47.2	Very low	75 Å²	75	85.2 Å²	85.2	40%	0.401	43%	0.433	S	S	.	.			trans	-69.7	129	168.5	-96.1	-21.5	0	0	0	110.6	R22 D58 Y79	R22-D60 IonicContact CZ-OD2 3.44Å; R22-D60 IonicContact NH1-OD2 2.77Å; R22-D60 PolarHBondContact NH1-OD2 3.31Å; R22-D60 IonicContact NH2-OD2 3.73Å; D58-D60 PolarHBondContact O-N 2.82Å; D60-Y79 VanDerWaalsContact O-CB 3.28Å; D60-Y79 WeakPolarHBondContact O-CB 3.35Å; D60-Y79 WeakPolarHBondContact O-CD2 3.28Å; D60-Y79 PolarHBondContact O-N 3.26Å; D60-Y79 VanDerWaalsContact O-N 3.14Å
61	R	51.4	Low	48.6	Very low	52 Å²	52	85 Å²	85	20%	0.196	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135	177.9	-61.6	-179.3	-171.8	-174	-1.4	111.4	T50 T52 Y78	T50-R61 PolarHBondContact OG1-NH1 3Å; T52-R61 PolarHBondContact OG1-NH1 3.21Å; R61-Y78 HydrophobicContact CG-CD1 4.44Å
62	Y	51.5	Low	49.7	Very low	17 Å²	17	79 Å²	79	7%	0.067	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.4	170	-84.6	-86.4	0	0	0	109.7	R22 L25 V26 T76 A77 Y79	R22-Y62 WeakPolarHBondContact CD-OH 3.05Å; R22-Y62 HydrophobicContact CG-CE2 3.9Å; R22-Y62 WeakPolarHBondContact CG-OH 3.4Å; R22-Y62 PolarHBondContact NE-OH 2.81Å; R22-Y62 PolarHBondContact NH2-OH 3.33Å; L25-Y62 HydrophobicContact CD2-CD2 4.42Å; L25-Y62 HydrophobicContact CD2-CG 3.99Å; V26-Y62 HydrophobicContact CG2-CD1 4.33Å; V26-Y62 HydrophobicContact CG2-CE1 4.05Å; Y62-T76 WeakPolarHBondContact O-CA 3.44Å; Y62-A77 PolarHBondContact N-O 3.37Å; Y62-A77 PolarHBondContact O-N 3.15Å; Y62-Y79 HydrophobicContact CD2-CD2 4.13Å; Y62-Y79 AromaticContact CD2-CE2 3.43Å; Y62-Y79 HydrophobicContact CD2-CE2 3.43Å; Y62-Y79 VanDerWaalsContact CD2-CE2 3.43Å; Y62-Y79 AromaticContact CD2-CZ 3.93Å; Y62-Y79 HydrophobicContact CE2-CE2 4.31Å; Y62-Y79 HydrophobicContact CG-CE2 4.2Å
63	V	49.1	Very low	50.8	Low	20 Å²	20	75.7 Å²	75.7	12%	0.121	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.5	177.7	-174.9	0	0	0	0	108.6	A48 N74 L75 T76	A48-V63 HydrophobicContact CB-CB 3.34Å; A48-V63 HydrophobicContact CB-CG1 3.88Å; A48-V63 HydrophobicContact CB-CG2 3.5Å; V63-N74 WeakPolarHBondContact CG1-OD1 3.43Å; V63-L75 WeakPolarHBondContact CA-O 3.15Å; V63-T76 HydrophobicContact CG2-CG2 4.01Å
64	A	52.8	Low	52.1	Low	6 Å²	6	70 Å²	70	5%	0.05	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.1	171.7	0	0	0	0	0	109.6	I29 L41 L75	I29-A64 HydrophobicContact CD1-CB 3.94Å; I29-A64 HydrophobicContact CG2-CB 3.68Å; L41-A64 HydrophobicContact CD1-CB 4.45Å; A64-L75 PolarHBondContact N-O 3.08Å; A64-L75 WeakPolarHBondContact O-CB 3.31Å; A64-L75 PolarHBondContact O-N 2.97Å
65	C	53.2	Low	53	Low	21 Å²	21	63.5 Å²	63.5	14%	0.142	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.8	173.6	-66.6	0	0	0	0	108.8	A42 S43 V73	A42-C65 HydrophobicContact CB-CB 4.17Å; A42-C65 PolarHBondContact N-O 3.12Å; S43-C65 PolarHBondContact N-O 2.66Å; S43-C65 PolarHBondContact O-N 2.93Å; C65-V73 WeakPolarHBondContact CA-O 2.94Å
66	A	54.8	Low	53.6	Low	1 Å²	1	57 Å²	57	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.7	168.6	0	0	0	0	0	108.9	I33 W39 E40 M72 V73	I33-A66 HydrophobicContact CD1-CB 3.79Å; I33-A66 HydrophobicContact CG1-CB 3.81Å; W39-A66 HydrophobicContact CD2-CB 4.49Å; W39-A66 HydrophobicContact CE3-CB 3.52Å; W39-A66 HydrophobicContact CZ3-CB 4.01Å; E40-A66 WeakPolarHBondContact O-CA 3.04Å; A66-M72 CarbonylContact O-C 3.23Å; A66-V73 PolarHBondContact N-O 3.29Å; A66-V73 PolarHBondContact O-N 2.8Å
67	R	50.1	Low	54	Low	111 Å²	111	50.4 Å²	50.4	42%	0.419	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.8	176	71.3	178.7	-170.2	169.4	4.5	110.1	W39 E40 A42 K71 M72	W39-R67 CarbonylContact C-O 3.58Å; W39-R67 VanDerWaalsContact CA-O 3.26Å; W39-R67 WeakPolarHBondContact CA-O 3.37Å; E40-R67 HydrophobicContact CB-CG 4.24Å; E40-R67 PolarHBondContact N-O 2.74Å; E40-R67 PolarHBondContact O-N 2.81Å; E40-R67 IonicContact OE2-CZ 3.55Å; E40-R67 IonicContact OE2-NE 3.23Å; E40-R67 PolarHBondContact OE2-NE 2.99Å; E40-R67 IonicContact OE2-NH2 2.75Å; E40-R67 PolarHBondContact OE2-NH2 2.98Å; A42-R67 HydrophobicContact CB-CB 4.37Å; A42-R67 HydrophobicContact CB-CG 4.06Å; R67-K71 CarbonylContact C-O 3.29Å; R67-K71 VanDerWaalsContact CA-O 3.31Å; R67-K71 WeakPolarHBondContact CA-O 3.35Å; R67-M72 HydrophobicContact CB-CB 4.46Å; R67-M72 HydrophobicContact CB-CG 4.41Å
68	D	58.6	Low	54.2	Low	21 Å²	21	43.9 Å²	43.9	11%	0.112	23%	0.227	C	C	.	.			trans	-115	-168.6	156.4	67.2	32.1	0	0	0	110	N38 W39 T70 K71 L100	N38-D68 HydrophobicContact CB-CB 4.39Å; N38-D68 WeakPolarHBondContact O-CA 3.48Å; N38-D68 WeakPolarHBondContact O-CB 3.48Å; W39-D68 HydrophobicContact CG-CB 4.41Å; W39-D68 PolarHBondContact NE1-OD2 2.99Å; D68-T70 PolarHBondContact O-N 2.88Å; D68-T70 WeakPolarHBondContact OD1-CA 3.14Å; D68-T70 PolarHBondContact OD1-N 3.08Å; D68-T70 PolarHBondContact OD1-OG1 2.69Å; D68-K71 PolarHBondContact N-O 3.01Å; D68-K71 WeakPolarHBondContact OD1-CG 3.16Å; D68-K71 PolarHBondContact OD1-N 2.7Å; D68-K71 WeakPolarHBondContact OD2-CE 3.45Å; D68-K71 WeakPolarHBondContact OD2-CG 3.48Å; D68-L100 WeakPolarHBondContact O-CD1 3.3Å
69	S	60.5	Low	54.3	Low	107 Å²	107	39.3 Å²	39.3	75%	0.748	20%	0.2	S	C	*	.	S	Bend	trans	-67.4	-11.8	-179.8	58.3	0	0	0	0	114.6
70	T	56	Low	54.1	Low	52 Å²	52	41.3 Å²	41.3	32%	0.319	21%	0.211	S	C	.	.	S	Bend	trans	-125.1	-20.1	-170.2	60.2	0	0	0	0	113.7	D68 L100 D101	D68-T70 PolarHBondContact O-N 2.88Å; D68-T70 WeakPolarHBondContact OD1-CA 3.14Å; D68-T70 PolarHBondContact OD1-N 3.08Å; D68-T70 PolarHBondContact OD1-OG1 2.69Å; T70-L100 WeakPolarHBondContact O-CB 3.21Å; T70-L100 PolarHBondContact O-N 2.87Å; T70-D101 VanDerWaalsContact CB-OD2 3.26Å; T70-D101 WeakPolarHBondContact CB-OD2 3.4Å; T70-D101 VanDerWaalsContact CG2-OD2 3.25Å; T70-D101 WeakPolarHBondContact CG2-OD2 3.44Å
71	K	56.7	Low	53.9	Low	63 Å²	63	43 Å²	43	27%	0.274	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.6	-176.9	53.5	179.2	171.5	-172.8	0	112.9	W39 R67 D68 I98	W39-K71 HydrophobicContact CZ2-CD 4.46Å; R67-K71 CarbonylContact C-O 3.29Å; R67-K71 VanDerWaalsContact CA-O 3.31Å; R67-K71 WeakPolarHBondContact CA-O 3.35Å; D68-K71 PolarHBondContact N-O 3.01Å; D68-K71 WeakPolarHBondContact OD1-CG 3.16Å; D68-K71 PolarHBondContact OD1-N 2.7Å; D68-K71 WeakPolarHBondContact OD2-CE 3.45Å; D68-K71 WeakPolarHBondContact OD2-CG 3.48Å; K71-I98 CarbonylContact C-O 3.55Å; K71-I98 WeakPolarHBondContact CA-O 3.49Å
72	M	49.7	Very low	53.8	Low	60 Å²	60	42.3 Å²	42.3	30%	0.296	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.9	165.7	-172.8	-179.5	-58.7	0	0	109.1	A66 R67 H97 I98 L100	A66-M72 CarbonylContact O-C 3.23Å; R67-M72 HydrophobicContact CB-CB 4.46Å; R67-M72 HydrophobicContact CB-CG 4.41Å; M72-H97 CarbonylContact O-C 3.56Å; M72-H97 WeakPolarHBondContact O-CA 3.33Å; M72-I98 HydrophobicContact CB-CB 4.31Å; M72-I98 PolarHBondContact N-O 3.33Å; M72-I98 PolarHBondContact O-N 3.37Å; M72-L100 HydrophobicContact CB-CD2 4.25Å; M72-L100 HydrophobicContact CE-CD2 4.41Å
73	V	54.1	Low	53.8	Low	3 Å²	3	48.3 Å²	48.3	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.5	176.5	-179.8	0	0	0	0	108.6	W39 C65 A66 L75 I95 S96	W39-V73 HydrophobicContact CH2-CB 4.15Å; W39-V73 HydrophobicContact CH2-CG2 3.58Å; W39-V73 HydrophobicContact CZ2-CG2 4.29Å; W39-V73 HydrophobicContact CZ3-CB 4.05Å; W39-V73 HydrophobicContact CZ3-CG1 4.45Å; W39-V73 HydrophobicContact CZ3-CG2 3.99Å; C65-V73 WeakPolarHBondContact CA-O 2.94Å; A66-V73 PolarHBondContact N-O 3.29Å; A66-V73 PolarHBondContact O-N 2.8Å; V73-L75 HydrophobicContact CG1-CD2 3.9Å; V73-L75 HydrophobicContact CG1-CG 4.22Å; V73-I95 HydrophobicContact CG1-CG2 3.48Å; V73-I95 VanDerWaalsContact CG1-CG2 3.48Å; V73-S96 VanDerWaalsContact CA-O 3.3Å; V73-S96 WeakPolarHBondContact CA-O 3.41Å
74	N	55.5	Low	53.7	Low	47 Å²	47	50.7 Å²	50.7	25%	0.251	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.3	171	-173	-0.6	0	0	0	108.8	V63 I95 S96	V63-N74 WeakPolarHBondContact CG1-OD1 3.43Å; N74-I95 WeakPolarHBondContact O-CA 3.39Å; N74-S96 WeakPolarHBondContact CB-OG 3.39Å; N74-S96 PolarHBondContact N-O 3.01Å; N74-S96 PolarHBondContact O-N 3.17Å; N74-S96 VanDerWaalsContact O-N 3.12Å
75	L	58.4	Low	53.3	Low	17 Å²	17	52.5 Å²	52.5	9%	0.089	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	101.5	176.2	-59.8	172.7	0	0	0	108	I29 V63 A64 V73 M93 I95	I29-L75 HydrophobicContact CG1-CD1 4.37Å; I29-L75 HydrophobicContact CG2-CD1 4.04Å; V63-L75 WeakPolarHBondContact CA-O 3.15Å; A64-L75 PolarHBondContact N-O 3.08Å; A64-L75 WeakPolarHBondContact O-CB 3.31Å; A64-L75 PolarHBondContact O-N 2.97Å; V73-L75 HydrophobicContact CG1-CD2 3.9Å; V73-L75 HydrophobicContact CG1-CG 4.22Å; L75-M93 HydrophobicContact CD2-SD 4.44Å; L75-I95 HydrophobicContact CD2-CB 4.38Å; L75-I95 HydrophobicContact CD2-CD1 4.18Å; L75-I95 HydrophobicContact CD2-CG1 3.83Å; L75-I95 HydrophobicContact CD2-CG2 4.01Å
76	T	52.8	Low	52.9	Low	12 Å²	12	57 Å²	57	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.4	171.9	-55.9	0	0	0	0	109.9	Y62 V63 Y78 M93 L94	Y62-T76 WeakPolarHBondContact O-CA 3.44Å; V63-T76 HydrophobicContact CG2-CG2 4.01Å; T76-Y78 HydrophobicContact CG2-CD2 4.09Å; T76-Y78 HydrophobicContact CG2-CE1 4.12Å; T76-Y78 HydrophobicContact CG2-CE2 3.49Å; T76-Y78 VanDerWaalsContact CG2-CE2 3.49Å; T76-M93 CarbonylContact O-C 3.55Å; T76-M93 VanDerWaalsContact O-CA 3.31Å; T76-M93 WeakPolarHBondContact O-CA 3.35Å; T76-L94 PolarHBondContact N-O 3.19Å; T76-L94 PolarHBondContact O-N 2.85Å
77	A	57.3	Low	52.3	Low	2 Å²	2	66.2 Å²	66.2	2%	0.017	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.7	170.3	0	0	0	0	0	109.8	L25 Y62 Y79 M91 M93	L25-A77 HydrophobicContact CD2-CB 3.81Å; Y62-A77 PolarHBondContact N-O 3.37Å; Y62-A77 PolarHBondContact O-N 3.15Å; A77-Y79 HydrophobicContact CB-CE2 3.99Å; A77-M91 HydrophobicContact CB-CE 4.16Å; A77-M91 HydrophobicContact CB-CG 4.44Å; A77-M91 HydrophobicContact CB-SD 4.27Å; A77-M93 HydrophobicContact CB-CE 4.48Å
78	Y	53.2	Low	51.9	Low	63 Å²	63	64.9 Å²	64.9	25%	0.247	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.2	173.7	-60.7	-92.4	0	0	0	109.1	R61 T76 M91 K92 L94	R61-Y78 HydrophobicContact CG-CD1 4.44Å; T76-Y78 HydrophobicContact CG2-CD2 4.09Å; T76-Y78 HydrophobicContact CG2-CE1 4.12Å; T76-Y78 HydrophobicContact CG2-CE2 3.49Å; T76-Y78 VanDerWaalsContact CG2-CE2 3.49Å; Y78-M91 VanDerWaalsContact O-CA 3.28Å; Y78-M91 WeakPolarHBondContact O-CA 3.36Å; Y78-K92 HydrophobicContact CD2-CB 4.18Å; Y78-K92 WeakPolarHBondContact CD2-O 3.28Å; Y78-K92 PolarHBondContact N-O 3.34Å; Y78-K92 PolarHBondContact O-N 3.32Å; Y78-L94 HydrophobicContact CD2-CG 4.49Å; Y78-L94 HydrophobicContact CE2-CB 4.16Å; Y78-L94 HydrophobicContact CE2-CD1 3.48Å; Y78-L94 VanDerWaalsContact CE2-CD1 3.48Å; Y78-L94 HydrophobicContact CE2-CG 3.66Å; Y78-L94 WeakPolarHBondContact OH-CD1 3.28Å
79	Y	54.3	Low	51.3	Low	33 Å²	33	66.3 Å²	66.3	13%	0.129	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.8	169.5	-62.3	-110.9	0	0	0	107.2	V7 L25 D60 Y62 A77 M91	V7-Y79 HydrophobicContact CB-CD1 4.39Å; V7-Y79 HydrophobicContact CB-CE1 3.89Å; V7-Y79 HydrophobicContact CG2-CD1 3.35Å; V7-Y79 HydrophobicContact CG2-CE1 3.28Å; L25-Y79 HydrophobicContact CD2-CE2 4.11Å; L25-Y79 WeakPolarHBondContact CD2-OH 3.26Å; D60-Y79 VanDerWaalsContact O-CB 3.28Å; D60-Y79 WeakPolarHBondContact O-CB 3.35Å; D60-Y79 WeakPolarHBondContact O-CD2 3.28Å; D60-Y79 PolarHBondContact O-N 3.26Å; D60-Y79 VanDerWaalsContact O-N 3.14Å; Y62-Y79 HydrophobicContact CD2-CD2 4.13Å; Y62-Y79 AromaticContact CD2-CE2 3.43Å; Y62-Y79 HydrophobicContact CD2-CE2 3.43Å; Y62-Y79 VanDerWaalsContact CD2-CE2 3.43Å; Y62-Y79 AromaticContact CD2-CZ 3.93Å; Y62-Y79 HydrophobicContact CE2-CE2 4.31Å; Y62-Y79 HydrophobicContact CG-CE2 4.2Å; A77-Y79 HydrophobicContact CB-CE2 3.99Å; Y79-M91 HydrophobicContact CD1-CE 3.93Å; Y79-M91 HydrophobicContact CD2-CE 4.18Å; Y79-M91 HydrophobicContact CE1-CE 3.24Å; Y79-M91 HydrophobicContact CE2-CE 3.49Å; Y79-M91 VanDerWaalsContact CE2-CE 3.49Å; Y79-M91 HydrophobicContact CG-CE 4.36Å; Y79-M91 WeakPolarHBondContact OH-CE 3.25Å
80	N	52.1	Low	50.5	Low	85 Å²	85	68 Å²	68	46%	0.455	39%	0.387	S	S	.	.			trans	-105.8	116.1	165.8	-166.6	-70.8	0	0	0	106.5	D59 P82	D59-N80 PolarHBondContact OD1-ND2 2.87Å; N80-P82 WeakPolarHBondContact O-CD 3.34Å
81	E	50.9	Low	50.2	Low	111 Å²	111	67.1 Å²	67.1	52%	0.519	38%	0.38	S	S	.	.			trans	-81.3	105.4	166.4	-71.4	-159.2	164.5	0	0	107.8	S83	E81-S83 PolarHBondContact O-N 2.8Å
82	P	49.1	Very low	49.8	Very low	37 Å²	37	70.8 Å²	70.8	24%	0.24	40%	0.396	C	S	.	.			trans	-70.4	134.9	173.4	-8	27.1	0	0	0	106.7	N80 G84 G85 T88 S89	N80-P82 WeakPolarHBondContact O-CD 3.34Å; P82-G84 PolarHBondContact O-N 2.75Å; P82-G85 PolarHBondContact O-N 3.06Å; P82-T88 WeakPolarHBondContact CB-OG1 3.13Å; P82-T88 VanDerWaalsContact CG-C 3.43Å; P82-T88 WeakPolarHBondContact CG-O 3.36Å; P82-T88 VanDerWaalsContact CG-OG1 3.3Å; P82-T88 WeakPolarHBondContact CG-OG1 3.13Å; P82-S89 VanDerWaalsContact CD-OG 3.3Å; P82-S89 WeakPolarHBondContact CD-OG 3.31Å
83	S	51.1	Low	49.9	Very low	143 Å²	143	69.7 Å²	69.7	100%	1	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	12.9	173.6	49.6	0	0	0	0	114.9	E81	E81-S83 PolarHBondContact O-N 2.8Å
84	G	47.1	Very low	49.7	Very low	70 Å²	70	74.3 Å²	74.3	72%	0.722	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	6.3	-174.5	0	0	0	0	0	116.8	P82	P82-G84 PolarHBondContact O-N 2.75Å
85	G	44.4	Very low	49.7	Very low	43 Å²	43	75 Å²	75	44%	0.443	42%	0.418	S	S	.	.			trans	107.6	170.4	173.2	0	0	0	0	0	115.6	P82 E87 T88	P82-G85 PolarHBondContact O-N 3.06Å; G85-E87 PolarHBondContact O-N 2.93Å; G85-T88 PolarHBondContact O-N 3.14Å; G85-T88 PolarHBondContact O-OG1 2.89Å
86	I	43.6	Very low	49.3	Very low	115 Å²	115	77 Å²	77	59%	0.59	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.8	-162.9	-44.4	176.9	0	0	0	114.1	F5	F5-I86 HydrophobicContact CD1-CD1 3.97Å; F5-I86 HydrophobicContact CD1-CG1 3.84Å; F5-I86 HydrophobicContact CD1-CG2 4.03Å; F5-I86 HydrophobicContact CE1-CB 4.47Å; F5-I86 HydrophobicContact CE1-CD1 3.39Å; F5-I86 HydrophobicContact CE1-CG1 3.37Å; F5-I86 HydrophobicContact CE1-CG2 4.43Å; F5-I86 HydrophobicContact CZ-CD1 4.36Å; F5-I86 HydrophobicContact CZ-CG1 4.08Å
87	E	42.8	Very low	49.5	Very low	195 Å²	195	82.2 Å²	82.2	91%	0.911	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.1	-169.3	-63.8	-170.5	158.9	0	0	114.6	G85	G85-E87 PolarHBondContact O-N 2.93Å
88	T	40.9	Very low	49.1	Very low	83 Å²	83	86.6 Å²	86.6	51%	0.509	48%	0.478	S	S	.	.	S	Bend	trans	-112.4	0.3	-175.6	44.8	0	0	0	0	114.5	P82 G85 Q90	P82-T88 WeakPolarHBondContact CB-OG1 3.13Å; P82-T88 VanDerWaalsContact CG-C 3.43Å; P82-T88 WeakPolarHBondContact CG-O 3.36Å; P82-T88 VanDerWaalsContact CG-OG1 3.3Å; P82-T88 WeakPolarHBondContact CG-OG1 3.13Å; G85-T88 PolarHBondContact O-N 3.14Å; G85-T88 PolarHBondContact O-OG1 2.89Å; T88-Q90 PolarHBondContact O-N 2.99Å; T88-Q90 VanDerWaalsContact O-N 3.09Å
89	S	47.6	Very low	49.4	Very low	52 Å²	52	88.4 Å²	88.4	36%	0.364	49%	0.492	S	S	.	.			trans	-65	112	178.9	-60.4	0	0	0	0	110.8	P82	P82-S89 VanDerWaalsContact CD-OG 3.3Å; P82-S89 WeakPolarHBondContact CD-OG 3.31Å
90	Q	43.1	Very low	49.3	Very low	142 Å²	142	90.4 Å²	90.4	66%	0.664	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-98.9	129	172.3	-66.5	-175.5	-18.1	0	0	108.9	T88	T88-Q90 PolarHBondContact O-N 2.99Å; T88-Q90 VanDerWaalsContact O-N 3.09Å
91	M	48.9	Very low	49.7	Very low	33 Å²	33	91.9 Å²	91.9	16%	0.163	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.8	166.5	171.9	-171.9	-83	0	0	109.2	V7 L25 A77 Y78 Y79	V7-M91 HydrophobicContact CB-CE 3.76Å; V7-M91 HydrophobicContact CG1-CB 3.6Å; V7-M91 HydrophobicContact CG1-CE 3.45Å; V7-M91 VanDerWaalsContact CG1-CE 3.45Å; V7-M91 HydrophobicContact CG1-CG 4.27Å; V7-M91 HydrophobicContact CG1-SD 3.72Å; V7-M91 HydrophobicContact CG2-CE 4.09Å; L25-M91 HydrophobicContact CD2-CE 4.48Å; A77-M91 HydrophobicContact CB-CE 4.16Å; A77-M91 HydrophobicContact CB-CG 4.44Å; A77-M91 HydrophobicContact CB-SD 4.27Å; Y78-M91 VanDerWaalsContact O-CA 3.28Å; Y78-M91 WeakPolarHBondContact O-CA 3.36Å; Y79-M91 HydrophobicContact CD1-CE 3.93Å; Y79-M91 HydrophobicContact CD2-CE 4.18Å; Y79-M91 HydrophobicContact CE1-CE 3.24Å; Y79-M91 HydrophobicContact CE2-CE 3.49Å; Y79-M91 VanDerWaalsContact CE2-CE 3.49Å; Y79-M91 HydrophobicContact CG-CE 4.36Å; Y79-M91 WeakPolarHBondContact OH-CE 3.25Å
92	K	48.5	Very low	49.5	Very low	140 Å²	140	91.8 Å²	91.8	61%	0.609	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.3	167.9	-64.4	178.4	-178	173.5	0	107.3	Y78	Y78-K92 HydrophobicContact CD2-CB 4.18Å; Y78-K92 WeakPolarHBondContact CD2-O 3.28Å; Y78-K92 PolarHBondContact N-O 3.34Å; Y78-K92 PolarHBondContact O-N 3.32Å
93	M	52.9	Low	49.3	Very low	38 Å²	38	97.6 Å²	97.6	19%	0.187	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.3	170	-174.6	172.6	-77.9	0	0	108.1	T10 I12 L25 L75 T76 A77 I95	T10-M93 HydrophobicContact CG2-CE 4.28Å; T10-M93 WeakPolarHBondContact OG1-CE 3.24Å; T10-M93 PolarHBondContact OG1-SD 2.76Å; T10-M93 VanDerWaalsContact OG1-SD 3.32Å; I12-M93 HydrophobicContact CG1-SD 4.35Å; L25-M93 HydrophobicContact CD1-CE 4.41Å; L75-M93 HydrophobicContact CD2-SD 4.44Å; T76-M93 CarbonylContact O-C 3.55Å; T76-M93 VanDerWaalsContact O-CA 3.31Å; T76-M93 WeakPolarHBondContact O-CA 3.35Å; A77-M93 HydrophobicContact CB-CE 4.48Å; M93-I95 HydrophobicContact CG-CG1 3.99Å; M93-I95 HydrophobicContact SD-CD1 4.28Å; M93-I95 HydrophobicContact SD-CG1 4.26Å
94	L	49.7	Very low	48.8	Very low	99 Å²	99	95.4 Å²	95.4	52%	0.518	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.5	167.8	-69.5	178.9	0	0	0	108	T76 Y78	T76-L94 PolarHBondContact N-O 3.19Å; T76-L94 PolarHBondContact O-N 2.85Å; Y78-L94 HydrophobicContact CD2-CG 4.49Å; Y78-L94 HydrophobicContact CE2-CB 4.16Å; Y78-L94 HydrophobicContact CE2-CD1 3.48Å; Y78-L94 VanDerWaalsContact CE2-CD1 3.48Å; Y78-L94 HydrophobicContact CE2-CG 3.66Å; Y78-L94 WeakPolarHBondContact OH-CD1 3.28Å
95	I	54.2	Low	48.5	Very low	63 Å²	63	97.4 Å²	97.4	32%	0.323	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	104.3	173.8	-51.7	-177.1	0	0	0	106.4	V73 N74 L75 M93 H97	V73-I95 HydrophobicContact CG1-CG2 3.48Å; V73-I95 VanDerWaalsContact CG1-CG2 3.48Å; N74-I95 WeakPolarHBondContact O-CA 3.39Å; L75-I95 HydrophobicContact CD2-CB 4.38Å; L75-I95 HydrophobicContact CD2-CD1 4.18Å; L75-I95 HydrophobicContact CD2-CG1 3.83Å; L75-I95 HydrophobicContact CD2-CG2 4.01Å; M93-I95 HydrophobicContact CG-CG1 3.99Å; M93-I95 HydrophobicContact SD-CD1 4.28Å; M93-I95 HydrophobicContact SD-CG1 4.26Å; I95-H97 VanDerWaalsContact CG2-CE1 3.43Å; I95-H97 WeakPolarHBondContact CG2-CE1 3.3Å
96	S	50.5	Low	48.3	Very low	59 Å²	59	100.8 Å²	100.8	41%	0.413	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.2	171.2	63	0	0	0	0	110.3	V73 N74	V73-S96 VanDerWaalsContact CA-O 3.3Å; V73-S96 WeakPolarHBondContact CA-O 3.41Å; N74-S96 WeakPolarHBondContact CB-OG 3.39Å; N74-S96 PolarHBondContact N-O 3.01Å; N74-S96 PolarHBondContact O-N 3.17Å; N74-S96 VanDerWaalsContact O-N 3.12Å
97	H	57.3	Low	47.7	Very low	120 Å²	120	98.7 Å²	98.7	56%	0.556	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.4	134.2	-179.5	-59.6	64	0	0	0	108.1	M72 I95	M72-H97 CarbonylContact O-C 3.56Å; M72-H97 WeakPolarHBondContact O-CA 3.33Å; I95-H97 VanDerWaalsContact CG2-CE1 3.43Å; I95-H97 WeakPolarHBondContact CG2-CE1 3.3Å
98	I	49.7	Very low	47.1	Very low	95 Å²	95	97.7 Å²	97.7	49%	0.487	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.2	169.7	-58.9	172.1	0	0	0	105.8	K71 M72 L100	K71-I98 CarbonylContact C-O 3.55Å; K71-I98 WeakPolarHBondContact CA-O 3.49Å; M72-I98 HydrophobicContact CB-CB 4.31Å; M72-I98 PolarHBondContact N-O 3.33Å; M72-I98 PolarHBondContact O-N 3.37Å; I98-L100 PolarHBondContact O-N 3.39Å
99	D	59.4	Low	46.9	Very low	101 Å²	101	98.7 Å²	98.7	54%	0.54	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	118.5	170.3	-67.5	-38.4	0	0	0	108.6	D101 N102	D99-D101 VanDerWaalsContact C-N 3.28Å; D99-N102 HydrophobicContact CB-CB 4.43Å
100	L	52	Low	46.5	Very low	74 Å²	74	105.9 Å²	105.9	39%	0.387	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.5	-21.6	175.4	-61.4	175.4	0	0	0	111.6	D68 T70 M72 I98 N102	D68-L100 WeakPolarHBondContact O-CD1 3.3Å; T70-L100 WeakPolarHBondContact O-CB 3.21Å; T70-L100 PolarHBondContact O-N 2.87Å; M72-L100 HydrophobicContact CB-CD2 4.25Å; M72-L100 HydrophobicContact CE-CD2 4.41Å; I98-L100 PolarHBondContact O-N 3.39Å; L100-N102 PolarHBondContact O-N 2.96Å
101	D	60	Low	46.3	Very low	116 Å²	116	107.3 Å²	107.3	62%	0.62	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-10	177.4	-66.6	-24.8	0	0	0	113	T70 D99	T70-D101 VanDerWaalsContact CB-OD2 3.26Å; T70-D101 WeakPolarHBondContact CB-OD2 3.4Å; T70-D101 VanDerWaalsContact CG2-OD2 3.25Å; T70-D101 WeakPolarHBondContact CG2-OD2 3.44Å; D99-D101 VanDerWaalsContact C-N 3.28Å
102	N	47.7	Very low	45.9	Very low	110 Å²	110	112.3 Å²	112.3	59%	0.588	62%	0.622	S	S	*	*			trans	-98.2	86.3	171	-105.1	-19.8	0	0	0	109.8	D99 L100 T104	D99-N102 HydrophobicContact CB-CB 4.43Å; L100-N102 PolarHBondContact O-N 2.96Å; N102-T104 PolarHBondContact O-N 3.09Å
103	D	43.7	Very low	45.5	Very low	159 Å²	159	111.8 Å²	111.8	85%	0.85	63%	0.633	S	S	*	*			trans	-69.1	53.3	172.9	-155.8	7	0	0	0	111.8
104	T	40.1	Very low	45.2	Very low	96 Å²	96	119 Å²	119	59%	0.589	66%	0.663	S	S	*	*			trans	-103	75.8	172.8	57.3	0	0	0	0	109.2	N102 A106	N102-T104 PolarHBondContact O-N 3.09Å; T104-A106 VanDerWaalsContact C-N 3.27Å; T104-A106 PolarHBondContact O-N 3.34Å
105	T	40.9	Very low	44.6	Very low	112 Å²	112	123.1 Å²	123.1	69%	0.687	68%	0.68	S	S	*	*			trans	42.1	36.5	145.7	57.4	0	0	0	0	118.3	G107 Q108	T105-G107 PolarHBondContact O-N 3.29Å; T105-Q108 PolarHBondContact O-N 3.38Å
106	A	40.5	Very low	43.5	Very low	114 Å²	114	128.1 Å²	128.1	94%	0.942	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	19.7	178.6	0	0	0	0	0	113.8	T104	T104-A106 VanDerWaalsContact C-N 3.27Å; T104-A106 PolarHBondContact O-N 3.34Å
107	G	32.3	Very low	43	Very low	72 Å²	72	134.2 Å²	134.2	74%	0.742	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	13.2	-178.7	0	0	0	0	0	115	T105	T105-G107 PolarHBondContact O-N 3.29Å
108	Q	29	Very low	42.3	Very low	173 Å²	173	134.9 Å²	134.9	81%	0.808	75%	0.752	S	S	*	*			trans	-138.2	82.1	174.5	-68.7	-164.5	-14	0	0	112.3	T105	T105-Q108 PolarHBondContact O-N 3.38Å
109	S	37.5	Very low	41.9	Very low	105 Å²	105	137 Å²	137	73%	0.734	77%	0.765	S	S	*	*			trans	-130.7	80.3	139.9	71.5	0	0	0	0	108.4	E111	S109-E111 PolarHBondContact O-N 3.43Å
110	E	39.7	Very low	40.9	Very low	202 Å²	202	139 Å²	139	94%	0.944	78%	0.778	S	S	*	*			trans	-68.1	70.7	142.4	-77.7	-171.6	158	0	0	107.2
111	E	37.6	Very low	40.2	Very low	172 Å²	172	142.8 Å²	142.8	80%	0.804	80%	0.801	S	S	*	*			trans	-93.2	99.2	152.9	-81.7	-159.5	135	0	0	106.1	S109	S109-E111 PolarHBondContact O-N 3.43Å
112	N	41.4	Very low	39	Very low	138 Å²	138	144.5 Å²	144.5	74%	0.738	81%	0.812	S	S	*	*			trans	-21.6	128.2	161.2	-89.7	-45.8	0	0	0	111.1	K114	N112-K114 PolarHBondContact O-N 3.44Å
113	P	39.5	Very low	38.4	Very low	129 Å²	129	146.8 Å²	146.8	84%	0.838	83%	0.827	S	S	*	*			trans	-59.1	94.8	155.7	24.6	-28.6	0	0	0	106.4	E115	P113-E115 PolarHBondContact O-N 2.71Å
114	K	46.2	Very low	38	Very low	189 Å²	189	145.9 Å²	145.9	82%	0.822	83%	0.826	S	S	*	*			trans	-56.3	111.8	169.4	-85.9	180	177.4	169.5	0	105.8	N112	N112-K114 PolarHBondContact O-N 3.44Å
115	E	37.7	Very low	37.9	Very low	186 Å²	186	149.8 Å²	149.8	87%	0.869	84%	0.844	S	S	*	*			trans	15.2	108.7	153.9	-64.1	179.1	158.5	0	0	114.6	P113	P113-E115 PolarHBondContact O-N 2.71Å
116	M	30.8	Very low	37.6	Very low	169 Å²	169	152.9 Å²	152.9	83%	0.833	86%	0.857	S	S	*	*			trans	-52.8	157.2	160.4	-64	178.5	51.4	0	0	111.2
117	P	39.6	Very low	37.4	Very low	186 Å²	186	156.5 Å²	156.5	100%	1.208	85%	0.849	S	S	*	*			trans	-67.3	0	130.8	29.9	-27.4	0	0	0	111.3

Retrieved 117 of 117 residues in 35.2 ms (Link to these results)

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