A0A077YXK7_TRITR Loading...

Probable deoxycytidylate deaminase

Supplies the nucleotide substrate for thymidylate synthetase.

AlphaFold DB , UniProt , Accession A0A077YXK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.2	Low	78.7	Confident	244 Å²	244	162.8 Å²	162.8	100%	1.202	80%	0.799	S	S	*	*				0	110.3	0	-80.4	174.2	169.4	0	0	105.9	Q3	M1-Q3 PolarHBondContact O-N 2.71Å
2	E	64.4	Low	79.7	Confident	189 Å²	189	159.9 Å²	159.9	88%	0.883	79%	0.789	S	S	*	*			trans	-70.3	116	178.8	-150.1	165	-163.2	0	0	107	T4	E2-T4 PolarHBondContact O-N 2.97Å
3	Q	62.3	Low	80.8	Confident	173 Å²	173	157.7 Å²	157.7	81%	0.808	77%	0.768	S	S	*	*			trans	-66.4	100.3	174.5	-122.7	169.7	19.7	0	0	106	M1 D5	M1-Q3 PolarHBondContact O-N 2.71Å; Q3-D5 PolarHBondContact O-N 2.81Å
4	T	67.6	Low	81.9	Confident	116 Å²	116	150.9 Å²	150.9	71%	0.712	74%	0.736	S	S	*	*			trans	-72.1	88.1	166.7	44.4	0	0	0	0	106.3	E2 T6	E2-T4 PolarHBondContact O-N 2.97Å; T4-T6 PolarHBondContact O-N 3.29Å
5	D	74.9	Confident	82.9	Confident	138 Å²	138	142.7 Å²	142.7	74%	0.738	70%	0.701	S	S	*	*			trans	-59.6	89.5	164.5	-86.5	-24.5	0	0	0	106.9	Q3 V7	Q3-D5 PolarHBondContact O-N 2.81Å; D5-V7 PolarHBondContact O-N 3.37Å
6	T	83.9	Confident	83.8	Confident	104 Å²	104	142.3 Å²	142.3	64%	0.638	69%	0.689	S	S	*	*			trans	-61.3	109.5	176.7	43.1	0	0	0	0	106.6	T4 K8	T4-T6 PolarHBondContact O-N 3.29Å; T6-K8 PolarHBondContact O-N 3.5Å
7	V	88.6	Confident	84.6	Confident	148 Å²	148	137 Å²	137	90%	0.897	67%	0.665	S	S	*	*			trans	-56.3	115.4	178.3	179.7	0	0	0	0	108	D5	D5-V7 PolarHBondContact O-N 3.37Å
8	K	91.4	Very high	85.4	Confident	171 Å²	171	129.5 Å²	129.5	74%	0.743	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-90.4	154.4	177.4	-66.8	-178.5	-177	174.5	0	110	T6	T6-K8 PolarHBondContact O-N 3.5Å
9	K	93.3	Very high	86	Confident	158 Å²	158	127.9 Å²	127.9	69%	0.687	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-61.5	155.5	167.8	67.3	171.5	-174.7	172.9	0	110.1
10	R	94	Very high	86.7	Confident	174 Å²	174	121.6 Å²	121.6	66%	0.657	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-61.1	151.3	170.6	80.6	175	72.6	-172.8	0.9	111.1	D12 Y13	R10-D12 WeakPolarHBondContact CB-OD1 3.3Å; R10-D12 VanDerWaalsContact CD-OD1 3.28Å; R10-D12 WeakPolarHBondContact CD-OD1 3.36Å; R10-D12 WeakPolarHBondContact CG-OD1 3.4Å; R10-Y13 HydrophobicContact CG-CD1 4.2Å; R10-Y13 VanDerWaalsContact O-CD1 3.28Å; R10-Y13 WeakPolarHBondContact O-CD1 3.4Å
11	E	90.9	Very high	87.2	Confident	176 Å²	176	115.8 Å²	115.8	82%	0.822	56%	0.558	S	S	*	*	S	Bend	trans	-101	-18.5	177.4	-62.9	-172.5	167.2	0	0	112.7	Y13	E11-Y13 PolarHBondContact O-N 3.34Å
12	D	91	Very high	89.3	Confident	128 Å²	128	105.5 Å²	105.5	68%	0.684	51%	0.51	S	S	*	.			trans	-93.8	20.2	-175.9	68.5	-31.7	0	0	0	113.8	R10	R10-D12 WeakPolarHBondContact CB-OD1 3.3Å; R10-D12 VanDerWaalsContact CD-OD1 3.28Å; R10-D12 WeakPolarHBondContact CD-OD1 3.36Å; R10-D12 WeakPolarHBondContact CG-OD1 3.4Å
13	Y	94.4	Very high	91	Very high	131 Å²	131	97.8 Å²	97.8	51%	0.514	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-71.9	147.4	174.4	65.3	-78.7	0	0	0	110.9	R10 E11	R10-Y13 HydrophobicContact CG-CD1 4.2Å; R10-Y13 VanDerWaalsContact O-CD1 3.28Å; R10-Y13 WeakPolarHBondContact O-CD1 3.4Å; E11-Y13 PolarHBondContact O-N 3.34Å
14	L	95.6	Very high	92.7	Very high	62 Å²	62	89.6 Å²	89.6	33%	0.325	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-65	138	177.1	-65.7	176.3	0	0	0	111.2	D18 V159 V162	L14-D18 HydrophobicContact CD2-CB 4.28Å; L14-V159 HydrophobicContact CD2-CG1 4.47Å; L14-V159 HydrophobicContact CD2-CG2 4.06Å; L14-V162 HydrophobicContact CD1-CG1 4.01Å; L14-V162 HydrophobicContact CD1-CG2 4.07Å; L14-V162 HydrophobicContact CD2-CG2 3.56Å; L14-V162 HydrophobicContact CG-CG2 4.48Å
15	S	96.7	Very high	94.2	Very high	29 Å²	29	86.7 Å²	86.7	20%	0.203	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-69.4	159.8	166.3	83.4	0	0	0	0	110.1	N17 D18 Y19	S15-N17 VanDerWaalsContact C-N 3.33Å; S15-N17 PolarHBondContact O-N 3.05Å; S15-D18 WeakPolarHBondContact CB-OD2 3.28Å; S15-D18 PolarHBondContact O-N 3.39Å; S15-D18 PolarHBondContact OG-N 3.44Å; S15-D18 PolarHBondContact OG-OD2 3.34Å; S15-Y19 WeakPolarHBondContact O-CB 3.5Å; S15-Y19 PolarHBondContact O-N 2.97Å
16	W	97.7	Very high	95.3	Very high	136 Å²	136	84 Å²	84	52%	0.515	40%	0.401	S	S	.	.	H	α-helix	trans	-53.8	-47.4	179.2	-78.3	124.4	0	0	0	113.1	Y19 F20 N47	W16-Y19 AromaticContact CE3-CD1 3.98Å; W16-Y19 HydrophobicContact CE3-CD1 3.98Å; W16-Y19 HydrophobicContact CZ3-CD1 4.03Å; W16-Y19 HydrophobicContact CZ3-CE1 4.2Å; W16-Y19 WeakPolarHBondContact O-CB 3.35Å; W16-Y19 PolarHBondContact O-N 3.05Å; W16-F20 HydrophobicContact CB-CD2 4.33Å; W16-F20 HydrophobicContact CB-CE2 3.76Å; W16-F20 HydrophobicContact CB-CZ 4.41Å; W16-F20 HydrophobicContact CD2-CE2 4.25Å; W16-F20 HydrophobicContact CD2-CZ 4.04Å; W16-F20 AromaticContact CE3-CE1 3.85Å; W16-F20 HydrophobicContact CE3-CE1 3.85Å; W16-F20 AromaticContact CE3-CE2 3.8Å; W16-F20 HydrophobicContact CE3-CE2 3.8Å; W16-F20 AromaticContact CE3-CZ 3.22Å; W16-F20 HydrophobicContact CE3-CZ 3.22Å; W16-F20 HydrophobicContact CG-CE2 4.3Å; W16-F20 HydrophobicContact CZ3-CE1 4.09Å; W16-F20 AromaticContact CZ3-CZ 3.74Å; W16-F20 HydrophobicContact CZ3-CZ 3.74Å; W16-F20 WeakPolarHBondContact O-CD2 3.27Å; W16-F20 WeakPolarHBondContact O-CE2 3.42Å; W16-F20 WeakPolarHBondContact O-CG 3.35Å; W16-F20 PolarHBondContact O-N 2.88Å; W16-N47 HydrophobicContact CD2-CB 3.77Å; W16-N47 HydrophobicContact CE3-CB 3.91Å; W16-N47 HydrophobicContact CG-CB 4.4Å; W16-N47 HydrophobicContact CH2-CB 3.88Å; W16-N47 HydrophobicContact CZ2-CB 3.74Å; W16-N47 HydrophobicContact CZ3-CB 3.96Å
17	N	97.8	Very high	96	Very high	52 Å²	52	79.8 Å²	79.8	28%	0.278	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-40.9	-179.1	-69.1	4.5	0	0	0	111.6	S15 Y19 F20 M21 F105 Y155	S15-N17 VanDerWaalsContact C-N 3.33Å; S15-N17 PolarHBondContact O-N 3.05Å; N17-Y19 VanDerWaalsContact C-N 3.31Å; N17-Y19 PolarHBondContact O-N 3.38Å; N17-F20 PolarHBondContact O-N 3.35Å; N17-M21 WeakPolarHBondContact O-CB 3.46Å; N17-M21 PolarHBondContact O-N 2.97Å; N17-F105 HydrophobicContact CB-CE1 4Å; N17-F105 HydrophobicContact CB-CZ 4.35Å; N17-Y155 HydrophobicContact CB-CD2 4.44Å; N17-Y155 HydrophobicContact CB-CE2 4.12Å; N17-Y155 WeakPolarHBondContact O-CE2 3.48Å
18	D	98	Very high	96.5	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.011	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-40.6	176.5	-53.6	-50.4	0	0	0	110.8	L14 S15 S22 Y155 S157 K158 V159	L14-D18 HydrophobicContact CD2-CB 4.28Å; S15-D18 WeakPolarHBondContact CB-OD2 3.28Å; S15-D18 PolarHBondContact O-N 3.39Å; S15-D18 PolarHBondContact OG-N 3.44Å; S15-D18 PolarHBondContact OG-OD2 3.34Å; D18-S22 WeakPolarHBondContact O-CB 3.32Å; D18-S22 PolarHBondContact O-N 3.48Å; D18-S22 PolarHBondContact O-OG 2.95Å; D18-Y155 VanDerWaalsContact CA-OH 3.3Å; D18-Y155 WeakPolarHBondContact CA-OH 3.34Å; D18-Y155 PolarHBondContact OD1-OH 3.41Å; D18-S157 WeakPolarHBondContact OD1-CA 3.4Å; D18-S157 PolarHBondContact OD1-OG 3.42Å; D18-K158 PolarHBondContact OD1-N 2.87Å; D18-V159 HydrophobicContact CB-CG2 4.29Å
19	Y	98.3	Very high	96.8	Very high	100 Å²	100	72.7 Å²	72.7	39%	0.392	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-49.3	175.6	172.2	-119.2	0	0	0	112.1	S15 W16 N17 S22 I23	S15-Y19 WeakPolarHBondContact O-CB 3.5Å; S15-Y19 PolarHBondContact O-N 2.97Å; W16-Y19 AromaticContact CE3-CD1 3.98Å; W16-Y19 HydrophobicContact CE3-CD1 3.98Å; W16-Y19 HydrophobicContact CZ3-CD1 4.03Å; W16-Y19 HydrophobicContact CZ3-CE1 4.2Å; W16-Y19 WeakPolarHBondContact O-CB 3.35Å; W16-Y19 PolarHBondContact O-N 3.05Å; N17-Y19 VanDerWaalsContact C-N 3.31Å; N17-Y19 PolarHBondContact O-N 3.38Å; Y19-S22 WeakPolarHBondContact O-CB 3.31Å; Y19-S22 PolarHBondContact O-N 2.78Å; Y19-I23 HydrophobicContact CD1-CD1 4.23Å; Y19-I23 HydrophobicContact CD2-CD1 4.14Å; Y19-I23 HydrophobicContact CD2-CG1 4.47Å; Y19-I23 HydrophobicContact CE1-CD1 3.7Å; Y19-I23 HydrophobicContact CE2-CD1 3.59Å; Y19-I23 HydrophobicContact CE2-CG1 4.12Å; Y19-I23 HydrophobicContact CG-CD1 4.44Å; Y19-I23 WeakPolarHBondContact O-CG1 3.48Å; Y19-I23 PolarHBondContact O-N 3.17Å
20	F	98.6	Very high	97	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-70.1	-39.6	-177.1	-58.3	-44.6	0	0	0	113.4	W16 N17 S22 I23 A24 V43 N47 V49 F105	W16-F20 HydrophobicContact CB-CD2 4.33Å; W16-F20 HydrophobicContact CB-CE2 3.76Å; W16-F20 HydrophobicContact CB-CZ 4.41Å; W16-F20 HydrophobicContact CD2-CE2 4.25Å; W16-F20 HydrophobicContact CD2-CZ 4.04Å; W16-F20 AromaticContact CE3-CE1 3.85Å; W16-F20 HydrophobicContact CE3-CE1 3.85Å; W16-F20 AromaticContact CE3-CE2 3.8Å; W16-F20 HydrophobicContact CE3-CE2 3.8Å; W16-F20 AromaticContact CE3-CZ 3.22Å; W16-F20 HydrophobicContact CE3-CZ 3.22Å; W16-F20 HydrophobicContact CG-CE2 4.3Å; W16-F20 HydrophobicContact CZ3-CE1 4.09Å; W16-F20 AromaticContact CZ3-CZ 3.74Å; W16-F20 HydrophobicContact CZ3-CZ 3.74Å; W16-F20 WeakPolarHBondContact O-CD2 3.27Å; W16-F20 WeakPolarHBondContact O-CE2 3.42Å; W16-F20 WeakPolarHBondContact O-CG 3.35Å; W16-F20 PolarHBondContact O-N 2.88Å; N17-F20 PolarHBondContact O-N 3.35Å; F20-S22 VanDerWaalsContact C-N 3.32Å; F20-I23 PolarHBondContact O-N 3.03Å; F20-A24 PolarHBondContact O-N 3.47Å; F20-A24 VanDerWaalsContact O-N 3.08Å; F20-V43 HydrophobicContact CB-CG2 4.1Å; F20-V43 HydrophobicContact CD1-CG1 4.35Å; F20-V43 HydrophobicContact CD1-CG2 3.62Å; F20-V43 HydrophobicContact CD2-CB 4.48Å; F20-V43 HydrophobicContact CD2-CG1 4.13Å; F20-V43 HydrophobicContact CD2-CG2 3.86Å; F20-V43 HydrophobicContact CE1-CG1 3.82Å; F20-V43 HydrophobicContact CE1-CG2 3.92Å; F20-V43 HydrophobicContact CE2-CB 4.39Å; F20-V43 HydrophobicContact CE2-CG1 3.58Å; F20-V43 HydrophobicContact CE2-CG2 4.15Å; F20-V43 HydrophobicContact CG-CG2 3.6Å; F20-V43 HydrophobicContact CZ-CB 4.44Å; F20-V43 HydrophobicContact CZ-CG1 3.41Å; F20-V43 VanDerWaalsContact CZ-CG1 3.41Å; F20-V43 HydrophobicContact CZ-CG2 4.18Å; F20-N47 HydrophobicContact CE2-CB 4.41Å; F20-N47 HydrophobicContact CZ-CB 3.91Å; F20-N47 WeakPolarHBondContact CZ-O 3.5Å; F20-V49 HydrophobicContact CD1-CG2 4.01Å; F20-V49 HydrophobicContact CE1-CG2 3.95Å; F20-F105 HydrophobicContact CB-CB 4.44Å; F20-F105 HydrophobicContact CB-CD1 4.04Å; F20-F105 HydrophobicContact CB-CD2 3.55Å; F20-F105 HydrophobicContact CB-CE1 4.18Å; F20-F105 HydrophobicContact CB-CE2 3.71Å; F20-F105 HydrophobicContact CB-CG 3.74Å; F20-F105 HydrophobicContact CB-CZ 4.03Å; F20-F105 HydrophobicContact CD2-CD2 4.29Å; F20-F105 AromaticContact CD2-CE2 3.61Å; F20-F105 HydrophobicContact CD2-CE2 3.61Å; F20-F105 AromaticContact CD2-CZ 3.82Å; F20-F105 HydrophobicContact CD2-CZ 3.82Å; F20-F105 HydrophobicContact CG-CD2 4.25Å; F20-F105 HydrophobicContact CG-CE2 4.02Å; F20-F105 HydrophobicContact CG-CZ 4.42Å
21	M	98.7	Very high	97.2	Very high	1 Å²	1	65 Å²	65	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-35.6	172.8	-173.1	55.8	77.7	0	0	111.3	N17 I23 A24 L25 F105 S106 L129 Y155	N17-M21 WeakPolarHBondContact O-CB 3.46Å; N17-M21 PolarHBondContact O-N 2.97Å; M21-I23 VanDerWaalsContact C-N 3.31Å; M21-I23 PolarHBondContact O-N 2.91Å; M21-A24 WeakPolarHBondContact O-CB 3.31Å; M21-A24 PolarHBondContact O-N 3.12Å; M21-A24 VanDerWaalsContact O-N 3.16Å; M21-A24 HydrophobicContact SD-CB 4.21Å; M21-L25 HydrophobicContact CG-CD1 4.45Å; M21-L25 PolarHBondContact O-N 3.44Å; M21-F105 HydrophobicContact CB-CD1 4.23Å; M21-F105 HydrophobicContact CE-CB 4.31Å; M21-F105 HydrophobicContact CE-CD1 4.21Å; M21-S106 WeakPolarHBondContact CE-O 3.34Å; M21-L129 HydrophobicContact CE-CB 4.18Å; M21-L129 HydrophobicContact SD-CB 4.13Å; M21-Y155 HydrophobicContact CB-CD1 4.28Å; M21-Y155 HydrophobicContact CB-CD2 3.94Å; M21-Y155 HydrophobicContact CB-CE1 4.08Å; M21-Y155 HydrophobicContact CB-CE2 3.73Å; M21-Y155 HydrophobicContact CB-CG 4.19Å; M21-Y155 HydrophobicContact CE-CD1 4.26Å; M21-Y155 HydrophobicContact CE-CD2 4.37Å; M21-Y155 HydrophobicContact CE-CG 3.81Å; M21-Y155 HydrophobicContact CG-CD1 3.74Å; M21-Y155 HydrophobicContact CG-CD2 4.24Å; M21-Y155 HydrophobicContact CG-CE1 3.77Å; M21-Y155 HydrophobicContact CG-CE2 4.27Å; M21-Y155 HydrophobicContact CG-CG 3.96Å
22	S	98.4	Very high	97.5	Very high	27 Å²	27	62.2 Å²	62.2	19%	0.189	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-37.9	173	-62.3	0	0	0	0	112.1	D18 Y19 F20 L25 L26 V162	D18-S22 WeakPolarHBondContact O-CB 3.32Å; D18-S22 PolarHBondContact O-N 3.48Å; D18-S22 PolarHBondContact O-OG 2.95Å; Y19-S22 WeakPolarHBondContact O-CB 3.31Å; Y19-S22 PolarHBondContact O-N 2.78Å; F20-S22 VanDerWaalsContact C-N 3.32Å; S22-L25 PolarHBondContact O-N 3.37Å; S22-L26 VanDerWaalsContact O-CB 3.32Å; S22-L26 WeakPolarHBondContact O-CB 3.5Å; S22-L26 PolarHBondContact O-N 3.5Å; S22-V162 WeakPolarHBondContact OG-CG2 3.42Å
23	I	98.6	Very high	97.9	Very high	28 Å²	28	56.3 Å²	56.3	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-41.6	173	-70.8	168	0	0	0	111.1	Y19 F20 M21 L26 S27 C41 V49 I52	Y19-I23 HydrophobicContact CD1-CD1 4.23Å; Y19-I23 HydrophobicContact CD2-CD1 4.14Å; Y19-I23 HydrophobicContact CD2-CG1 4.47Å; Y19-I23 HydrophobicContact CE1-CD1 3.7Å; Y19-I23 HydrophobicContact CE2-CD1 3.59Å; Y19-I23 HydrophobicContact CE2-CG1 4.12Å; Y19-I23 HydrophobicContact CG-CD1 4.44Å; Y19-I23 WeakPolarHBondContact O-CG1 3.48Å; Y19-I23 PolarHBondContact O-N 3.17Å; F20-I23 PolarHBondContact O-N 3.03Å; M21-I23 VanDerWaalsContact C-N 3.31Å; M21-I23 PolarHBondContact O-N 2.91Å; I23-L26 PolarHBondContact O-N 3.21Å; I23-S27 VanDerWaalsContact O-CB 3.31Å; I23-S27 WeakPolarHBondContact O-CB 3.39Å; I23-S27 PolarHBondContact O-N 3.27Å; I23-S27 PolarHBondContact O-OG 3.05Å; I23-C41 HydrophobicContact CB-CB 4.33Å; I23-C41 HydrophobicContact CG2-CB 4.02Å; I23-V49 HydrophobicContact CD1-CG2 3.85Å; I23-I52 HydrophobicContact CG2-CG2 3.79Å
24	A	98.8	Very high	98	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-45.7	176.8	0	0	0	0	0	110.9	F20 M21 S27 S28 G39 C41 T107	F20-A24 PolarHBondContact O-N 3.47Å; F20-A24 VanDerWaalsContact O-N 3.08Å; M21-A24 WeakPolarHBondContact O-CB 3.31Å; M21-A24 PolarHBondContact O-N 3.12Å; M21-A24 VanDerWaalsContact O-N 3.16Å; M21-A24 HydrophobicContact SD-CB 4.21Å; A24-S27 WeakPolarHBondContact O-CB 3.33Å; A24-S27 PolarHBondContact O-N 3.11Å; A24-S28 PolarHBondContact O-N 2.83Å; A24-G39 WeakPolarHBondContact O-CA 3.19Å; A24-C41 HydrophobicContact CB-CB 4.19Å; A24-T107 HydrophobicContact CB-CG2 4.06Å
25	L	98.4	Very high	97.9	Very high	55 Å²	55	55.5 Å²	55.5	29%	0.288	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-38	175	-78.5	169	0	0	0	113.4	M21 S22 S27 S28 Q29 T107 L129 Y130	M21-L25 HydrophobicContact CG-CD1 4.45Å; M21-L25 PolarHBondContact O-N 3.44Å; S22-L25 PolarHBondContact O-N 3.37Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S28 PolarHBondContact O-N 3.23Å; L25-S28 PolarHBondContact O-OG 3.41Å; L25-Q29 PolarHBondContact O-N 2.83Å; L25-T107 HydrophobicContact CD2-CG2 3.88Å; L25-T107 HydrophobicContact CG-CG2 4.12Å; L25-L129 HydrophobicContact CD1-CD2 4Å; L25-L129 HydrophobicContact CD2-CD2 3.85Å; L25-L129 HydrophobicContact CG-CD2 4.23Å; L25-Y130 HydrophobicContact CD2-CE2 4.48Å
26	L	98.4	Very high	97.9	Very high	82 Å²	82	57.5 Å²	57.5	43%	0.429	27%	0.274	S	S	.	.	H	α-helix	trans	-66.6	-40.7	173.6	-179.7	61.6	0	0	0	110.7	S22 I23 S28 Q29 I164	S22-L26 VanDerWaalsContact O-CB 3.32Å; S22-L26 WeakPolarHBondContact O-CB 3.5Å; S22-L26 PolarHBondContact O-N 3.5Å; I23-L26 PolarHBondContact O-N 3.21Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 3.32Å; L26-Q29 WeakPolarHBondContact O-CB 3.46Å; L26-Q29 PolarHBondContact O-N 3.45Å; L26-I164 HydrophobicContact CD1-CD1 4.09Å; L26-I164 HydrophobicContact CD2-CD1 3.76Å; L26-I164 HydrophobicContact CG-CD1 4.41Å
27	S	98.6	Very high	97.9	Very high	16 Å²	16	54.9 Å²	54.9	11%	0.112	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-39.1	177.4	-58.3	0	0	0	0	111.1	I23 A24 L25 Q29 R30 Y54	I23-S27 VanDerWaalsContact O-CB 3.31Å; I23-S27 WeakPolarHBondContact O-CB 3.39Å; I23-S27 PolarHBondContact O-N 3.27Å; I23-S27 PolarHBondContact O-OG 3.05Å; A24-S27 WeakPolarHBondContact O-CB 3.33Å; A24-S27 PolarHBondContact O-N 3.11Å; L25-S27 VanDerWaalsContact C-N 3.34Å; S27-Q29 PolarHBondContact O-N 3.46Å; S27-R30 VanDerWaalsContact O-CB 3.22Å; S27-R30 WeakPolarHBondContact O-CB 3.33Å; S27-R30 PolarHBondContact O-N 2.95Å; S27-Y54 WeakPolarHBondContact O-CB 3.45Å
28	S	98.5	Very high	97.9	Very high	13 Å²	13	53.5 Å²	53.5	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-29.2	177	68.5	0	0	0	0	112.8	A24 L25 L26 R30 S31 Q37 E38	A24-S28 PolarHBondContact O-N 2.83Å; L25-S28 PolarHBondContact O-N 3.23Å; L25-S28 PolarHBondContact O-OG 3.41Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-S28 PolarHBondContact O-N 3.32Å; S28-R30 PolarHBondContact O-N 2.89Å; S28-R30 VanDerWaalsContact O-N 3.07Å; S28-S31 VanDerWaalsContact O-CB 3.22Å; S28-S31 WeakPolarHBondContact O-CB 3.46Å; S28-S31 PolarHBondContact O-N 3.15Å; S28-Q37 WeakPolarHBondContact O-CB 3.28Å; S28-E38 WeakPolarHBondContact CA-O 3.39Å; S28-E38 VanDerWaalsContact CB-C 3.44Å
29	Q	98	Very high	98	Very high	156 Å²	156	53.4 Å²	53.4	73%	0.729	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.6	173.8	-62.8	179	40.6	0	0	113.5	L25 L26 S27	L25-Q29 PolarHBondContact O-N 2.83Å; L26-Q29 WeakPolarHBondContact O-CB 3.46Å; L26-Q29 PolarHBondContact O-N 3.45Å; S27-Q29 PolarHBondContact O-N 3.46Å
30	R	98	Very high	98	Very high	157 Å²	157	48.7 Å²	48.7	59%	0.592	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-16.2	173.3	-161.9	57	151.5	83.4	1.4	113.5	S27 S28 Y54	S27-R30 VanDerWaalsContact O-CB 3.22Å; S27-R30 WeakPolarHBondContact O-CB 3.33Å; S27-R30 PolarHBondContact O-N 2.95Å; S28-R30 PolarHBondContact O-N 2.89Å; S28-R30 VanDerWaalsContact O-N 3.07Å; R30-Y54 HydrophobicContact CB-CD1 3.74Å; R30-Y54 HydrophobicContact CB-CD2 4.17Å; R30-Y54 HydrophobicContact CB-CE1 3.82Å; R30-Y54 HydrophobicContact CB-CE2 4.26Å; R30-Y54 HydrophobicContact CB-CG 3.93Å; R30-Y54 HydrophobicContact CG-CD1 3.97Å; R30-Y54 HydrophobicContact CG-CD2 4.33Å; R30-Y54 HydrophobicContact CG-CE1 3.48Å; R30-Y54 VanDerWaalsContact CG-CE1 3.48Å; R30-Y54 HydrophobicContact CG-CE2 3.91Å; R30-Y54 HydrophobicContact CG-CG 4.37Å; R30-Y54 VanDerWaalsContact CG-CZ 3.44Å
31	S	98.5	Very high	98	Very high	15 Å²	15	48.7 Å²	48.7	11%	0.105	24%	0.24	C	C	.	.			trans	-62	138.1	176.2	-179.4	0	0	0	0	110.8	S28 D33 N55	S28-S31 VanDerWaalsContact O-CB 3.22Å; S28-S31 WeakPolarHBondContact O-CB 3.46Å; S28-S31 PolarHBondContact O-N 3.15Å; S31-D33 WeakPolarHBondContact OG-CB 3.38Å; S31-D33 PolarHBondContact OG-N 2.97Å; S31-N55 WeakPolarHBondContact CB-O 2.94Å; S31-N55 WeakPolarHBondContact CB-OD1 3.37Å; S31-N55 VanDerWaalsContact OG-CG 3.31Å; S31-N55 PolarHBondContact OG-O 3.43Å; S31-N55 VanDerWaalsContact OG-O 3.08Å; S31-N55 PolarHBondContact OG-OD1 3.32Å
32	K	97.8	Very high	98	Very high	116 Å²	116	48.6 Å²	48.6	50%	0.504	24%	0.24	S	C	.	.			trans	-96.5	-5.1	176.1	-64.1	179.2	178.2	-173	0	112.8	P34 D63 W68	K32-P34 WeakPolarHBondContact O-CD 3.22Å; K32-D63 HydrophobicContact CD-CB 4Å; K32-D63 WeakPolarHBondContact CD-OD2 3.3Å; K32-D63 VanDerWaalsContact CE-OD2 3.25Å; K32-D63 WeakPolarHBondContact CE-OD2 3.48Å; K32-D63 IonicContact NZ-OD2 2.6Å; K32-D63 PolarHBondContact NZ-OD2 3.5Å; K32-W68 HydrophobicContact CB-CH2 3.78Å; K32-W68 HydrophobicContact CB-CZ2 4.01Å; K32-W68 HydrophobicContact CB-CZ3 4.33Å
33	D	97.9	Very high	98	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.231	C	C	.	.			trans	-61.1	121.6	176.7	-175.5	-38.9	0	0	0	109.1	S31 Q35 L36 Q37 N55 W68 K79 I83	S31-D33 WeakPolarHBondContact OG-CB 3.38Å; S31-D33 PolarHBondContact OG-N 2.97Å; D33-Q35 VanDerWaalsContact C-N 3.33Å; D33-Q35 PolarHBondContact O-N 2.83Å; D33-Q35 PolarHBondContact OD1-N 2.7Å; D33-Q35 PolarHBondContact OD1-OE1 3.34Å; D33-L36 VanDerWaalsContact CB-O 3.27Å; D33-L36 WeakPolarHBondContact CB-O 3.37Å; D33-L36 PolarHBondContact OD1-N 2.89Å; D33-Q37 PolarHBondContact O-NE2 3.33Å; D33-N55 WeakPolarHBondContact CB-ND2 3.2Å; D33-N55 PolarHBondContact OD2-ND2 3.02Å; D33-W68 HydrophobicContact CB-CE3 4.39Å; D33-W68 HydrophobicContact CB-CZ3 4.04Å; D33-K79 IonicContact OD1-NZ 3.58Å; D33-K79 PolarHBondContact OD1-NZ 2.97Å; D33-K79 WeakPolarHBondContact OD2-CD 3.39Å; D33-K79 VanDerWaalsContact OD2-CE 3.31Å; D33-K79 WeakPolarHBondContact OD2-CE 3.43Å; D33-K79 IonicContact OD2-NZ 3.9Å; D33-K79 PolarHBondContact OD2-NZ 2.82Å; D33-I83 HydrophobicContact CB-CD1 4.18Å; D33-I83 WeakPolarHBondContact OD2-CD1 3.45Å
34	P	96.3	Very high	97.9	Very high	81 Å²	81	47 Å²	47	53%	0.526	23%	0.229	S	C	.	.	S	Bend	trans	-77.1	-16.7	-176.3	24.7	-26.9	0	0	0	113.7	K32 W68	K32-P34 WeakPolarHBondContact O-CD 3.22Å; P34-W68 HydrophobicContact CG-CB 4.24Å
35	Q	94.8	Very high	97.8	Very high	95 Å²	95	53.2 Å²	53.2	44%	0.444	26%	0.256	S	S	.	.	S	Bend	trans	-103.9	-36.8	-177.5	-55.6	88.2	2.4	0	0	113.3	D33 W68 D70	D33-Q35 VanDerWaalsContact C-N 3.33Å; D33-Q35 PolarHBondContact O-N 2.83Å; D33-Q35 PolarHBondContact OD1-N 2.7Å; D33-Q35 PolarHBondContact OD1-OE1 3.34Å; Q35-W68 PolarHBondContact NE2-O 3.35Å; Q35-W68 PolarHBondContact OE1-O 2.97Å; Q35-D70 HydrophobicContact CG-CB 4.38Å
36	L	95.7	Very high	97.7	Very high	71 Å²	71	56.6 Å²	56.6	37%	0.372	27%	0.271	S	S	.	.			trans	-141.9	107.4	-173.4	-176	67	0	0	0	111.6	D33 E38 N55 H108	D33-L36 VanDerWaalsContact CB-O 3.27Å; D33-L36 WeakPolarHBondContact CB-O 3.37Å; D33-L36 PolarHBondContact OD1-N 2.89Å; L36-E38 HydrophobicContact CD2-CG 4.21Å; L36-E38 HydrophobicContact CG-CG 4.06Å; L36-N55 PolarHBondContact O-ND2 2.88Å; L36-H108 WeakPolarHBondContact CD1-NE2 3.48Å
37	Q	98.1	Very high	97.6	Very high	81 Å²	81	54.7 Å²	54.7	38%	0.379	26%	0.261	S	S	.	.			trans	-98.5	109.9	177	-56.5	82.2	23	0	0	110.8	S28 D33 H108	S28-Q37 WeakPolarHBondContact O-CB 3.28Å; D33-Q37 PolarHBondContact O-NE2 3.33Å; Q37-H108 PolarHBondContact O-CE1 3.08Å
38	E	98.5	Very high	97.5	Very high	24 Å²	24	59.4 Å²	59.4	11%	0.112	28%	0.281	C	S	.	.			trans	-102.7	145.6	178.2	-57.6	-170.9	128.8	0	0	111.4	S28 L36 Y54 N55 A86 T107	S28-E38 WeakPolarHBondContact CA-O 3.39Å; S28-E38 VanDerWaalsContact CB-C 3.44Å; L36-E38 HydrophobicContact CD2-CG 4.21Å; L36-E38 HydrophobicContact CG-CG 4.06Å; E38-Y54 WeakPolarHBondContact O-CA 3.44Å; E38-Y54 WeakPolarHBondContact O-CB 3.23Å; E38-N55 HydrophobicContact CB-CB 4.1Å; E38-N55 PolarHBondContact N-OD1 3.42Å; E38-N55 PolarHBondContact O-N 3.47Å; E38-N55 PolarHBondContact O-OD1 2.57Å; E38-A86 HydrophobicContact CB-CB 3.7Å; E38-T107 WeakPolarHBondContact CA-OG1 3.4Å
39	G	98.8	Very high	97.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.6	173.5	0	0	0	0	0	110.6	A24 G53 S106 T107	A24-G39 WeakPolarHBondContact O-CA 3.19Å; G39-G53 CarbonylContact C-O 3.54Å; G39-G53 WeakPolarHBondContact CA-O 3.44Å; G39-S106 CarbonylContact O-C 3.57Å; G39-S106 WeakPolarHBondContact O-CA 3.31Å; G39-S106 PolarHBondContact O-OG 3.32Å; G39-T107 PolarHBondContact N-OG1 3.42Å; G39-T107 PolarHBondContact O-N 2.9Å
40	A	98.9	Very high	97.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141.9	-178	0	0	0	0	0	111.1	I52 G53 A86 A90 L104 F105	A40-I52 WeakPolarHBondContact O-CA 3.36Å; A40-G53 PolarHBondContact N-O 2.93Å; A40-G53 PolarHBondContact O-N 2.88Å; A40-A86 HydrophobicContact CB-CB 3.93Å; A40-A90 HydrophobicContact CB-CB 3.77Å; A40-L104 HydrophobicContact CB-CD1 4.16Å; A40-F105 CarbonylContact C-O 3.58Å; A40-F105 VanDerWaalsContact CA-O 3.25Å; A40-F105 WeakPolarHBondContact CA-O 3.47Å
41	C	98.8	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119.9	177	-178.7	0	0	0	0	109	I23 A24 F105	I23-C41 HydrophobicContact CB-CB 4.33Å; I23-C41 HydrophobicContact CG2-CB 4.02Å; A24-C41 HydrophobicContact CB-CB 4.19Å; C41-F105 HydrophobicContact CB-CB 4.32Å; C41-F105 PolarHBondContact N-O 2.88Å; C41-F105 PolarHBondContact O-N 3.2Å
42	L	98.4	Very high	97.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.7	-179.1	-173.9	62.8	0	0	0	109.5	V49 V50 G51 V99 C102 L104 I123	L42-V49 WeakPolarHBondContact O-CA 3.19Å; L42-V50 HydrophobicContact CB-CG2 4.25Å; L42-V50 HydrophobicContact CD2-CG2 4.14Å; L42-V50 HydrophobicContact CG-CG2 3.8Å; L42-V50 WeakPolarHBondContact O-CG2 3.4Å; L42-V50 PolarHBondContact O-N 3.21Å; L42-G51 PolarHBondContact N-O 3.37Å; L42-G51 PolarHBondContact O-N 3.34Å; L42-V99 HydrophobicContact CD2-CB 3.79Å; L42-V99 HydrophobicContact CD2-CG1 3.47Å; L42-V99 VanDerWaalsContact CD2-CG1 3.47Å; L42-V99 HydrophobicContact CD2-CG2 4.25Å; L42-V99 HydrophobicContact CG-CG1 4.43Å; L42-C102 HydrophobicContact CD1-CB 3.71Å; L42-C102 HydrophobicContact CG-CB 4.2Å; L42-L104 HydrophobicContact CD1-CB 4.31Å; L42-L104 HydrophobicContact CD1-CD1 4.36Å; L42-I123 HydrophobicContact CD1-CD1 3.52Å; L42-I123 HydrophobicContact CD1-CG1 3.92Å; L42-I123 HydrophobicContact CD2-CD1 4.38Å
43	V	98.4	Very high	97.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.6	-169.1	-171.2	0	0	0	0	110.5	F20 Q48 C102 R103 F105	F20-V43 HydrophobicContact CB-CG2 4.1Å; F20-V43 HydrophobicContact CD1-CG1 4.35Å; F20-V43 HydrophobicContact CD1-CG2 3.62Å; F20-V43 HydrophobicContact CD2-CB 4.48Å; F20-V43 HydrophobicContact CD2-CG1 4.13Å; F20-V43 HydrophobicContact CD2-CG2 3.86Å; F20-V43 HydrophobicContact CE1-CG1 3.82Å; F20-V43 HydrophobicContact CE1-CG2 3.92Å; F20-V43 HydrophobicContact CE2-CB 4.39Å; F20-V43 HydrophobicContact CE2-CG1 3.58Å; F20-V43 HydrophobicContact CE2-CG2 4.15Å; F20-V43 HydrophobicContact CG-CG2 3.6Å; F20-V43 HydrophobicContact CZ-CB 4.44Å; F20-V43 HydrophobicContact CZ-CG1 3.41Å; F20-V43 VanDerWaalsContact CZ-CG1 3.41Å; F20-V43 HydrophobicContact CZ-CG2 4.18Å; V43-Q48 VanDerWaalsContact CA-O 3.3Å; V43-Q48 WeakPolarHBondContact CA-O 3.42Å; V43-Q48 WeakPolarHBondContact CG1-O 3.5Å; V43-C102 CarbonylContact O-C 3.55Å; V43-C102 WeakPolarHBondContact O-CA 3.38Å; V43-C102 VanDerWaalsContact O-CB 3.27Å; V43-C102 WeakPolarHBondContact O-CB 3.31Å; V43-R103 PolarHBondContact N-O 2.77Å; V43-R103 PolarHBondContact O-N 2.58Å; V43-F105 HydrophobicContact CG2-CD2 4.01Å; V43-F105 HydrophobicContact CG2-CE2 4.12Å
44	N	97.1	Very high	97.5	Very high	21 Å²	21	48 Å²	48	11%	0.112	24%	0.237	C	C	.	.			trans	-80	-175.5	175	70.4	7.5	0	0	0	112.8	E46 N47 Q48 V50 R103	N44-E46 PolarHBondContact ND2-OE2 3.31Å; N44-E46 PolarHBondContact O-N 3.35Å; N44-E46 PolarHBondContact OD1-N 3.27Å; N44-E46 VanDerWaalsContact OD1-N 3.12Å; N44-E46 PolarHBondContact OD1-OE2 3.17Å; N44-N47 PolarHBondContact O-N 3.48Å; N44-N47 PolarHBondContact OD1-N 2.72Å; N44-Q48 PolarHBondContact N-O 2.88Å; N44-Q48 PolarHBondContact ND2-OE1 3.28Å; N44-Q48 WeakPolarHBondContact OD1-CA 3.47Å; N44-Q48 WeakPolarHBondContact OD1-CB 3.3Å; N44-Q48 PolarHBondContact OD1-N 3.41Å; N44-Q48 PolarHBondContact OD1-O 2.85Å; N44-V50 HydrophobicContact CB-CG1 4.02Å; N44-R103 PolarHBondContact O-NH2 3.36Å
45	K	96.1	Very high	97.6	Very high	130 Å²	130	44.3 Å²	44.3	57%	0.565	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.5	-179.5	-67.5	-178.7	-178.9	167.1	0	112.3	N47 D101	K45-N47 PolarHBondContact O-N 3.44Å; K45-D101 VanDerWaalsContact NZ-CB 3.32Å; K45-D101 IonicContact NZ-OD2 3.53Å; K45-D101 PolarHBondContact NZ-OD2 2.79Å
46	E	95.8	Very high	97.8	Very high	127 Å²	127	40.2 Å²	40.2	59%	0.593	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	8.5	177.6	-61.1	68.3	-146.3	0	0	112.9	N44 Q48	N44-E46 PolarHBondContact ND2-OE2 3.31Å; N44-E46 PolarHBondContact O-N 3.35Å; N44-E46 PolarHBondContact OD1-N 3.27Å; N44-E46 VanDerWaalsContact OD1-N 3.12Å; N44-E46 PolarHBondContact OD1-OE2 3.17Å; E46-Q48 VanDerWaalsContact C-N 3.27Å; E46-Q48 HydrophobicContact CB-CG 4.14Å; E46-Q48 PolarHBondContact O-N 3Å
47	N	96.9	Very high	97.9	Very high	42 Å²	42	37.6 Å²	37.6	23%	0.225	18%	0.182	C	C	.	.	S	Bend	trans	61.6	30.9	-176.4	-63.6	-63.5	0	0	0	113.7	W16 F20 N44 K45 R103	W16-N47 HydrophobicContact CD2-CB 3.77Å; W16-N47 HydrophobicContact CE3-CB 3.91Å; W16-N47 HydrophobicContact CG-CB 4.4Å; W16-N47 HydrophobicContact CH2-CB 3.88Å; W16-N47 HydrophobicContact CZ2-CB 3.74Å; W16-N47 HydrophobicContact CZ3-CB 3.96Å; F20-N47 HydrophobicContact CE2-CB 4.41Å; F20-N47 HydrophobicContact CZ-CB 3.91Å; F20-N47 WeakPolarHBondContact CZ-O 3.5Å; N44-N47 PolarHBondContact O-N 3.48Å; N44-N47 PolarHBondContact OD1-N 2.72Å; K45-N47 PolarHBondContact O-N 3.44Å; N47-R103 PolarHBondContact OD1-NH2 3.47Å
48	Q	96.8	Very high	97.9	Very high	115 Å²	115	36.5 Å²	36.5	54%	0.537	18%	0.182	S	C	.	.			trans	-99.9	135.3	175.2	-55.8	171.2	-32.3	0	0	109.9	V43 N44 E46 V50	V43-Q48 VanDerWaalsContact CA-O 3.3Å; V43-Q48 WeakPolarHBondContact CA-O 3.42Å; V43-Q48 WeakPolarHBondContact CG1-O 3.5Å; N44-Q48 PolarHBondContact N-O 2.88Å; N44-Q48 PolarHBondContact ND2-OE1 3.28Å; N44-Q48 WeakPolarHBondContact OD1-CA 3.47Å; N44-Q48 WeakPolarHBondContact OD1-CB 3.3Å; N44-Q48 PolarHBondContact OD1-N 3.41Å; N44-Q48 PolarHBondContact OD1-O 2.85Å; E46-Q48 VanDerWaalsContact C-N 3.27Å; E46-Q48 HydrophobicContact CB-CG 4.14Å; E46-Q48 PolarHBondContact O-N 3Å; Q48-V50 PolarHBondContact O-N 2.96Å
49	V	97.9	Very high	97.8	Very high	43 Å²	43	42.5 Å²	42.5	26%	0.261	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	117.7	171.1	-179.3	0	0	0	0	108.1	F20 I23 L42 I52	F20-V49 HydrophobicContact CD1-CG2 4.01Å; F20-V49 HydrophobicContact CE1-CG2 3.95Å; I23-V49 HydrophobicContact CD1-CG2 3.85Å; L42-V49 WeakPolarHBondContact O-CA 3.19Å; V49-I52 HydrophobicContact CG1-CG2 3.58Å
50	V	97.9	Very high	97.6	Very high	10 Å²	10	46.6 Å²	46.6	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-7.9	-177.9	-64.9	0	0	0	0	112.9	L42 N44 Q48 K94 I95 V99	L42-V50 HydrophobicContact CB-CG2 4.25Å; L42-V50 HydrophobicContact CD2-CG2 4.14Å; L42-V50 HydrophobicContact CG-CG2 3.8Å; L42-V50 WeakPolarHBondContact O-CG2 3.4Å; L42-V50 PolarHBondContact O-N 3.21Å; N44-V50 HydrophobicContact CB-CG1 4.02Å; Q48-V50 PolarHBondContact O-N 2.96Å; V50-K94 CarbonylContact O-C 3.59Å; V50-K94 WeakPolarHBondContact O-CA 3.42Å; V50-I95 WeakPolarHBondContact O-CG1 3.29Å; V50-I95 PolarHBondContact O-N 2.79Å; V50-V99 HydrophobicContact CG2-CG1 4.18Å
51	G	97.9	Very high	97.5	Very high	4 Å²	4	48.7 Å²	48.7	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	143.4	174.9	0	0	0	0	0	111.1	L42	L42-G51 PolarHBondContact N-O 3.37Å; L42-G51 PolarHBondContact O-N 3.34Å
52	I	98.3	Very high	97.5	Very high	81 Å²	81	52 Å²	52	42%	0.415	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	146.6	175.2	54.7	174.2	0	0	0	109.3	I23 A40 V49 N93	I23-I52 HydrophobicContact CG2-CG2 3.79Å; A40-I52 WeakPolarHBondContact O-CA 3.36Å; V49-I52 HydrophobicContact CG1-CG2 3.58Å; I52-N93 PolarHBondContact O-ND2 3.33Å
53	G	98.4	Very high	97.4	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	156.7	-178.5	0	0	0	0	0	111.9	G39 A40	G39-G53 CarbonylContact C-O 3.54Å; G39-G53 WeakPolarHBondContact CA-O 3.44Å; A40-G53 PolarHBondContact N-O 2.93Å; A40-G53 PolarHBondContact O-N 2.88Å
54	Y	98.7	Very high	97.3	Very high	83 Å²	83	60.6 Å²	60.6	33%	0.325	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156.9	170	54.2	-94.3	0	0	0	107.9	S27 R30 E38 N89	S27-Y54 WeakPolarHBondContact O-CB 3.45Å; R30-Y54 HydrophobicContact CB-CD1 3.74Å; R30-Y54 HydrophobicContact CB-CD2 4.17Å; R30-Y54 HydrophobicContact CB-CE1 3.82Å; R30-Y54 HydrophobicContact CB-CE2 4.26Å; R30-Y54 HydrophobicContact CB-CG 3.93Å; R30-Y54 HydrophobicContact CG-CD1 3.97Å; R30-Y54 HydrophobicContact CG-CD2 4.33Å; R30-Y54 HydrophobicContact CG-CE1 3.48Å; R30-Y54 VanDerWaalsContact CG-CE1 3.48Å; R30-Y54 HydrophobicContact CG-CE2 3.91Å; R30-Y54 HydrophobicContact CG-CG 4.37Å; R30-Y54 VanDerWaalsContact CG-CZ 3.44Å; E38-Y54 WeakPolarHBondContact O-CA 3.44Å; E38-Y54 WeakPolarHBondContact O-CB 3.23Å; Y54-N89 PolarHBondContact O-ND2 2.93Å
55	N	98.5	Very high	97.3	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.016	37%	0.368	C	S	.	.			trans	-74.1	144.6	177.4	66.4	-42.1	0	0	0	111.5	S31 D33 L36 E38 I83 C84	S31-N55 WeakPolarHBondContact CB-O 2.94Å; S31-N55 WeakPolarHBondContact CB-OD1 3.37Å; S31-N55 VanDerWaalsContact OG-CG 3.31Å; S31-N55 PolarHBondContact OG-O 3.43Å; S31-N55 VanDerWaalsContact OG-O 3.08Å; S31-N55 PolarHBondContact OG-OD1 3.32Å; D33-N55 WeakPolarHBondContact CB-ND2 3.2Å; D33-N55 PolarHBondContact OD2-ND2 3.02Å; L36-N55 PolarHBondContact O-ND2 2.88Å; E38-N55 HydrophobicContact CB-CB 4.1Å; E38-N55 PolarHBondContact N-OD1 3.42Å; E38-N55 PolarHBondContact O-N 3.47Å; E38-N55 PolarHBondContact O-OD1 2.57Å; N55-I83 HydrophobicContact CB-CD1 4.27Å; N55-I83 HydrophobicContact CB-CG1 4.42Å; N55-C84 CarbonylContact C-O 3.53Å; N55-C84 WeakPolarHBondContact CA-O 3.39Å; N55-C84 WeakPolarHBondContact CB-O 3.49Å
56	G	98.3	Very high	97.4	Very high	8 Å²	8	62.4 Å²	62.4	8%	0.082	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	175.5	177.7	-179.2	0	0	0	0	0	112	C84	G56-C84 PolarHBondContact N-O 3.28Å; G56-C84 WeakPolarHBondContact O-CB 3.45Å; G56-C84 PolarHBondContact O-N 2.72Å
57	M	98	Very high	97.5	Very high	17 Å²	17	57.5 Å²	57.5	8%	0.084	33%	0.329	C	S	.	.	S	Bend	trans	-68.5	161.5	178	-59.8	-61.6	170.6	0	0	111.4	C61 D63 M66 P67 W68 K79	M57-C61 HydrophobicContact CB-CB 4.09Å; M57-D63 VanDerWaalsContact CB-OD1 3.26Å; M57-D63 WeakPolarHBondContact CB-OD1 3.46Å; M57-D63 VanDerWaalsContact CG-OD1 3.29Å; M57-D63 WeakPolarHBondContact CG-OD1 3.23Å; M57-M66 HydrophobicContact CE-CB 3.73Å; M57-M66 HydrophobicContact CG-CB 3.98Å; M57-M66 HydrophobicContact CG-CG 3.91Å; M57-M66 HydrophobicContact SD-CB 3.96Å; M57-M66 HydrophobicContact SD-CE 4.03Å; M57-M66 HydrophobicContact SD-CG 4.09Å; M57-P67 WeakPolarHBondContact CE-O 3.35Å; M57-W68 HydrophobicContact CE-CD2 3.83Å; M57-W68 HydrophobicContact CE-CE3 3.83Å; M57-W68 HydrophobicContact CE-CH2 3.77Å; M57-W68 HydrophobicContact CE-CZ2 3.73Å; M57-W68 HydrophobicContact CE-CZ3 3.81Å; M57-W68 HydrophobicContact CG-CH2 3.75Å; M57-W68 HydrophobicContact CG-CZ2 3.58Å; M57-W68 HydrophobicContact SD-CH2 4.49Å; M57-K79 HydrophobicContact CE-CB 4.12Å
58	P	97.8	Very high	97.5	Very high	58 Å²	58	57.9 Å²	57.9	38%	0.377	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-59.4	155.5	-179.4	-23.7	35.2	0	0	0	112.8	G60 C61 Y82	P58-G60 PolarHBondContact O-N 3.41Å; P58-C61 WeakPolarHBondContact O-CB 3.3Å; P58-C61 PolarHBondContact O-N 3.02Å; P58-Y82 WeakPolarHBondContact CD-O 3.44Å; P58-Y82 WeakPolarHBondContact CG-O 3.47Å
59	V	95.9	Very high	97.5	Very high	150 Å²	150	54.3 Å²	54.3	91%	0.909	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	131.4	178.3	175.7	0	0	0	0	110.9	C61	V59-C61 PolarHBondContact O-N 2.85Å
60	G	96.1	Very high	97.4	Very high	85 Å²	85	55.3 Å²	55.3	88%	0.876	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-4.5	-179.6	0	0	0	0	0	114.5	P58	P58-G60 PolarHBondContact O-N 3.41Å
61	C	96.1	Very high	97.3	Very high	44 Å²	44	63.2 Å²	63.2	30%	0.297	36%	0.355	S	S	.	.			trans	-75.4	136.5	171.2	-168.7	0	0	0	0	110.3	M57 P58 V59 D63 M66	M57-C61 HydrophobicContact CB-CB 4.09Å; P58-C61 WeakPolarHBondContact O-CB 3.3Å; P58-C61 PolarHBondContact O-N 3.02Å; V59-C61 PolarHBondContact O-N 2.85Å; C61-D63 PolarHBondContact O-N 2.83Å; C61-M66 WeakPolarHBondContact SG-CG 3.16Å; C61-M66 PolarHBondContact SG-SD 3.31Å
62	N	97.5	Very high	97.2	Very high	71 Å²	71	65.3 Å²	65.3	38%	0.38	37%	0.372	S	S	.	.			trans	-80.5	112	171.9	-177.1	5.9	0	0	0	109.2	D64 E65	N62-D64 PolarHBondContact O-N 3.45Å; N62-D64 VanDerWaalsContact O-N 3.15Å; N62-D64 PolarHBondContact OD1-N 2.92Å; N62-E65 HydrophobicContact CB-CB 4.34Å; N62-E65 HydrophobicContact CB-CG 4.13Å; N62-E65 PolarHBondContact ND2-OE1 3.18Å; N62-E65 PolarHBondContact O-N 3.49Å
63	D	96.6	Very high	97.1	Very high	30 Å²	30	70.3 Å²	70.3	16%	0.16	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-59.4	-27.3	-178.2	-67	-50.9	0	0	0	113.2	K32 M57 C61 E65 M66 W68	K32-D63 HydrophobicContact CD-CB 4Å; K32-D63 WeakPolarHBondContact CD-OD2 3.3Å; K32-D63 VanDerWaalsContact CE-OD2 3.25Å; K32-D63 WeakPolarHBondContact CE-OD2 3.48Å; K32-D63 IonicContact NZ-OD2 2.6Å; K32-D63 PolarHBondContact NZ-OD2 3.5Å; M57-D63 VanDerWaalsContact CB-OD1 3.26Å; M57-D63 WeakPolarHBondContact CB-OD1 3.46Å; M57-D63 VanDerWaalsContact CG-OD1 3.29Å; M57-D63 WeakPolarHBondContact CG-OD1 3.23Å; C61-D63 PolarHBondContact O-N 2.83Å; D63-E65 PolarHBondContact O-N 3.06Å; D63-M66 PolarHBondContact O-N 2.82Å; D63-W68 HydrophobicContact CB-CZ2 3.91Å; D63-W68 PolarHBondContact O-NE1 2.78Å
64	D	97.2	Very high	97.1	Very high	150 Å²	150	74 Å²	74	80%	0.802	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-74.5	-15	179.7	-62.5	-25.8	0	0	0	112.7	N62	N62-D64 PolarHBondContact O-N 3.45Å; N62-D64 VanDerWaalsContact O-N 3.15Å; N62-D64 PolarHBondContact OD1-N 2.92Å
65	E	97.1	Very high	96.9	Very high	152 Å²	152	74.3 Å²	74.3	71%	0.71	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-94.8	-4.9	176.6	-69.4	170.7	-145	0	0	112.6	N62 D63	N62-E65 HydrophobicContact CB-CB 4.34Å; N62-E65 HydrophobicContact CB-CG 4.13Å; N62-E65 PolarHBondContact ND2-OE1 3.18Å; N62-E65 PolarHBondContact O-N 3.49Å; D63-E65 PolarHBondContact O-N 3.06Å
66	M	97.8	Very high	96.9	Very high	36 Å²	36	78.4 Å²	78.4	18%	0.177	45%	0.451	C	S	.	.	S	Bend	trans	-103	145.9	-171.6	-64.1	-56.5	-70.4	0	0	113.1	M57 C61 D63 W68 Y82	M57-M66 HydrophobicContact CE-CB 3.73Å; M57-M66 HydrophobicContact CG-CB 3.98Å; M57-M66 HydrophobicContact CG-CG 3.91Å; M57-M66 HydrophobicContact SD-CB 3.96Å; M57-M66 HydrophobicContact SD-CE 4.03Å; M57-M66 HydrophobicContact SD-CG 4.09Å; C61-M66 WeakPolarHBondContact SG-CG 3.16Å; C61-M66 PolarHBondContact SG-SD 3.31Å; D63-M66 PolarHBondContact O-N 2.82Å; M66-W68 PolarHBondContact O-N 2.98Å; M66-Y82 VanDerWaalsContact CE-CB 3.46Å; M66-Y82 HydrophobicContact CE-CD1 3.45Å; M66-Y82 VanDerWaalsContact CE-CD1 3.45Å; M66-Y82 HydrophobicContact CE-CD2 3.77Å; M66-Y82 HydrophobicContact CE-CE1 4.07Å; M66-Y82 HydrophobicContact CE-CE2 4.37Å; M66-Y82 HydrophobicContact CE-CG 3.26Å
67	P	97.6	Very high	96.8	Very high	25 Å²	25	83.6 Å²	83.6	16%	0.162	47%	0.473	C	S	.	.			trans	-71.7	125	172.8	28.6	-33.7	0	0	0	110.9	M57 L76 E77 T78 K79 Y82	M57-P67 WeakPolarHBondContact CE-O 3.35Å; P67-L76 WeakPolarHBondContact CG-O 3.31Å; P67-E77 WeakPolarHBondContact CB-O 3.33Å; P67-T78 WeakPolarHBondContact CG-O 3.3Å; P67-K79 VanDerWaalsContact O-CA 3.24Å; P67-K79 WeakPolarHBondContact O-CA 3.38Å; P67-K79 WeakPolarHBondContact O-CB 3.4Å; P67-K79 PolarHBondContact O-N 3.05Å; P67-Y82 HydrophobicContact CG-CD2 3.98Å; P67-Y82 HydrophobicContact CG-CE2 3.75Å
68	W	97.8	Very high	96.8	Very high	49 Å²	49	83.1 Å²	83.1	19%	0.186	47%	0.471	C	S	.	.			trans	-104.6	3.8	175	-68.8	96.6	0	0	0	113.3	K32 D33 P34 Q35 M57 D63 M66 I83	K32-W68 HydrophobicContact CB-CH2 3.78Å; K32-W68 HydrophobicContact CB-CZ2 4.01Å; K32-W68 HydrophobicContact CB-CZ3 4.33Å; D33-W68 HydrophobicContact CB-CE3 4.39Å; D33-W68 HydrophobicContact CB-CZ3 4.04Å; P34-W68 HydrophobicContact CG-CB 4.24Å; Q35-W68 PolarHBondContact NE2-O 3.35Å; Q35-W68 PolarHBondContact OE1-O 2.97Å; M57-W68 HydrophobicContact CE-CD2 3.83Å; M57-W68 HydrophobicContact CE-CE3 3.83Å; M57-W68 HydrophobicContact CE-CH2 3.77Å; M57-W68 HydrophobicContact CE-CZ2 3.73Å; M57-W68 HydrophobicContact CE-CZ3 3.81Å; M57-W68 HydrophobicContact CG-CH2 3.75Å; M57-W68 HydrophobicContact CG-CZ2 3.58Å; M57-W68 HydrophobicContact SD-CH2 4.49Å; D63-W68 HydrophobicContact CB-CZ2 3.91Å; D63-W68 PolarHBondContact O-NE1 2.78Å; M66-W68 PolarHBondContact O-N 2.98Å; W68-I83 HydrophobicContact CZ3-CD1 4.3Å
69	A	97.1	Very high	96.8	Very high	40 Å²	40	80.7 Å²	80.7	33%	0.331	45%	0.454	S	S	.	.			trans	-67.8	141.3	177.3	0	0	0	0	0	110.8	T78 K79	A69-T78 VanDerWaalsContact O-CA 3.25Å; A69-T78 WeakPolarHBondContact O-CA 3.49Å; A69-T78 WeakPolarHBondContact O-CB 3.37Å; A69-K79 PolarHBondContact O-N 2.85Å
70	D	95.1	Very high	96.8	Very high	65 Å²	65	78.4 Å²	78.4	35%	0.348	43%	0.434	S	S	.	.	S	Bend	trans	-78.6	-29.9	171.2	-169.9	72.5	0	0	0	111.3	Q35 K79 H80	Q35-D70 HydrophobicContact CG-CB 4.38Å; D70-K79 IonicContact OD1-NZ 2.76Å; D70-H80 PolarHBondContact O-NE2 3.47Å; D70-H80 VanDerWaalsContact O-NE2 3.15Å; D70-H80 IonicContact OD1-CE1 2.7Å; D70-H80 IonicContact OD1-NE2 2.73Å
71	K	95.7	Very high	96.8	Very high	175 Å²	175	77.5 Å²	77.5	76%	0.761	41%	0.412	S	S	*	.			trans	-139.6	135.4	-177.2	-60.4	-179.3	-174.9	176.3	0	110.5
72	A	96	Very high	96.9	Very high	48 Å²	48	78.8 Å²	78.8	40%	0.397	41%	0.411	S	S	.	.			trans	-154.2	165.2	171.3	0	0	0	0	0	108.4	D74 E77 T78	A72-D74 VanDerWaalsContact C-N 3.31Å; A72-D74 WeakPolarHBondContact CB-O 3.47Å; A72-E77 HydrophobicContact CB-CB 3.74Å; A72-T78 HydrophobicContact CB-CG2 3.82Å
73	D	96.3	Very high	96.9	Very high	186 Å²	186	76.4 Å²	76.4	100%	0.995	40%	0.398	S	S	*	.	S	Bend	trans	-67.1	-36.4	176.6	-67.6	-28.1	0	0	0	111.5
74	D	97.1	Very high	97	Very high	80 Å²	80	76.2 Å²	76.2	43%	0.428	40%	0.399	S	S	.	.	S	Bend	trans	-97.8	127	170.5	-169.2	-16.9	0	0	0	109.8	A72 L76 E77	A72-D74 VanDerWaalsContact C-N 3.31Å; A72-D74 WeakPolarHBondContact CB-O 3.47Å; D74-L76 PolarHBondContact O-N 3.37Å; D74-L76 WeakPolarHBondContact OD1-CB 3.26Å; D74-L76 PolarHBondContact OD1-N 3.28Å; D74-E77 HydrophobicContact CB-CB 4.48Å; D74-E77 HydrophobicContact CB-CG 4.06Å; D74-E77 WeakPolarHBondContact O-CB 3.28Å; D74-E77 PolarHBondContact O-N 2.96Å
75	V	95.6	Very high	97.1	Very high	88 Å²	88	71.9 Å²	71.9	53%	0.533	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-62.3	-27.7	177.3	71.6	0	0	0	0	112.1	E77 T78 P81	V75-E77 PolarHBondContact O-N 2.8Å; V75-T78 WeakPolarHBondContact O-CB 3.35Å; V75-T78 PolarHBondContact O-N 3.31Å; V75-T78 PolarHBondContact O-OG1 3.19Å; V75-P81 HydrophobicContact CG2-CG 4.07Å; V75-P81 WeakPolarHBondContact O-CG 3.19Å
76	L	97.4	Very high	97.1	Very high	89 Å²	89	64.7 Å²	64.7	47%	0.466	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-69.8	-15.6	175.7	-60	-177.4	0	0	0	112.5	P67 D74 T78 Y82	P67-L76 WeakPolarHBondContact CG-O 3.31Å; D74-L76 PolarHBondContact O-N 3.37Å; D74-L76 WeakPolarHBondContact OD1-CB 3.26Å; D74-L76 PolarHBondContact OD1-N 3.28Å; L76-T78 VanDerWaalsContact C-N 3.28Å; L76-Y82 WeakPolarHBondContact CD2-OH 3.22Å; L76-Y82 WeakPolarHBondContact O-CE2 3.45Å; L76-Y82 PolarHBondContact O-OH 2.62Å
77	E	97.9	Very high	97.2	Very high	118 Å²	118	63.1 Å²	63.1	55%	0.551	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-93	14.8	171.8	-61.5	-61.5	148	0	0	111.9	P67 A72 D74 V75	P67-E77 WeakPolarHBondContact CB-O 3.33Å; A72-E77 HydrophobicContact CB-CB 3.74Å; D74-E77 HydrophobicContact CB-CB 4.48Å; D74-E77 HydrophobicContact CB-CG 4.06Å; D74-E77 WeakPolarHBondContact O-CB 3.28Å; D74-E77 PolarHBondContact O-N 2.96Å; V75-E77 PolarHBondContact O-N 2.8Å
78	T	97.7	Very high	97.2	Very high	6 Å²	6	64.2 Å²	64.2	4%	0.037	34%	0.337	C	S	.	.	S	Bend	trans	-116.8	159.6	172.9	75.1	0	0	0	0	111.3	P67 A69 A72 V75 L76 H80 P81 Y82	P67-T78 WeakPolarHBondContact CG-O 3.3Å; A69-T78 VanDerWaalsContact O-CA 3.25Å; A69-T78 WeakPolarHBondContact O-CA 3.49Å; A69-T78 WeakPolarHBondContact O-CB 3.37Å; A72-T78 HydrophobicContact CB-CG2 3.82Å; V75-T78 WeakPolarHBondContact O-CB 3.35Å; V75-T78 PolarHBondContact O-N 3.31Å; V75-T78 PolarHBondContact O-OG1 3.19Å; L76-T78 VanDerWaalsContact C-N 3.28Å; T78-H80 VanDerWaalsContact C-N 3.28Å; T78-H80 PolarHBondContact O-N 3.4Å; T78-P81 VanDerWaalsContact O-CD 3.27Å; T78-P81 WeakPolarHBondContact O-CD 3.14Å; T78-Y82 WeakPolarHBondContact O-CD2 3.46Å; T78-Y82 WeakPolarHBondContact O-CE2 3.42Å
79	K	97.4	Very high	97.2	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.03	34%	0.336	C	S	.	.	S	Bend	trans	-67.9	-24.5	177.9	67.2	-170.8	175.7	-175.8	0	114.2	D33 M57 P67 A69 D70 P81 Y82 I83	D33-K79 IonicContact OD1-NZ 3.58Å; D33-K79 PolarHBondContact OD1-NZ 2.97Å; D33-K79 WeakPolarHBondContact OD2-CD 3.39Å; D33-K79 VanDerWaalsContact OD2-CE 3.31Å; D33-K79 WeakPolarHBondContact OD2-CE 3.43Å; D33-K79 IonicContact OD2-NZ 3.9Å; D33-K79 PolarHBondContact OD2-NZ 2.82Å; M57-K79 HydrophobicContact CE-CB 4.12Å; P67-K79 VanDerWaalsContact O-CA 3.24Å; P67-K79 WeakPolarHBondContact O-CA 3.38Å; P67-K79 WeakPolarHBondContact O-CB 3.4Å; P67-K79 PolarHBondContact O-N 3.05Å; A69-K79 PolarHBondContact O-N 2.85Å; D70-K79 IonicContact OD1-NZ 2.76Å; K79-P81 VanDerWaalsContact C-CD 3.49Å; K79-Y82 PolarHBondContact O-N 3.29Å; K79-I83 HydrophobicContact CD-CD1 4.29Å; K79-I83 WeakPolarHBondContact O-CB 3.43Å; K79-I83 WeakPolarHBondContact O-CG2 3.25Å; K79-I83 PolarHBondContact O-N 2.91Å
80	H	96.1	Very high	97.3	Very high	103 Å²	103	61.4 Å²	61.4	48%	0.477	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.3	-165	-62.2	-62.6	0	0	0	115.5	D70 T78 Y82	D70-H80 PolarHBondContact O-NE2 3.47Å; D70-H80 VanDerWaalsContact O-NE2 3.15Å; D70-H80 IonicContact OD1-CE1 2.7Å; D70-H80 IonicContact OD1-NE2 2.73Å; T78-H80 VanDerWaalsContact C-N 3.28Å; T78-H80 PolarHBondContact O-N 3.4Å; H80-Y82 PolarHBondContact O-N 2.93Å
81	P	96.6	Very high	97.4	Very high	66 Å²	66	59 Å²	59	43%	0.429	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19	176.6	-20.8	34.9	0	0	0	114	V75 T78 K79	V75-P81 HydrophobicContact CG2-CG 4.07Å; V75-P81 WeakPolarHBondContact O-CG 3.19Å; T78-P81 VanDerWaalsContact O-CD 3.27Å; T78-P81 WeakPolarHBondContact O-CD 3.14Å; K79-P81 VanDerWaalsContact C-CD 3.49Å
82	Y	97.8	Very high	97.4	Very high	71 Å²	71	56.8 Å²	56.8	28%	0.278	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-33.2	-165.9	-49.9	-74.5	0	0	0	113.3	P58 M66 P67 L76 T78 K79 H80 C84	P58-Y82 WeakPolarHBondContact CD-O 3.44Å; P58-Y82 WeakPolarHBondContact CG-O 3.47Å; M66-Y82 VanDerWaalsContact CE-CB 3.46Å; M66-Y82 HydrophobicContact CE-CD1 3.45Å; M66-Y82 VanDerWaalsContact CE-CD1 3.45Å; M66-Y82 HydrophobicContact CE-CD2 3.77Å; M66-Y82 HydrophobicContact CE-CE1 4.07Å; M66-Y82 HydrophobicContact CE-CE2 4.37Å; M66-Y82 HydrophobicContact CE-CG 3.26Å; P67-Y82 HydrophobicContact CG-CD2 3.98Å; P67-Y82 HydrophobicContact CG-CE2 3.75Å; L76-Y82 WeakPolarHBondContact CD2-OH 3.22Å; L76-Y82 WeakPolarHBondContact O-CE2 3.45Å; L76-Y82 PolarHBondContact O-OH 2.62Å; T78-Y82 WeakPolarHBondContact O-CD2 3.46Å; T78-Y82 WeakPolarHBondContact O-CE2 3.42Å; K79-Y82 PolarHBondContact O-N 3.29Å; H80-Y82 PolarHBondContact O-N 2.93Å; Y82-C84 PolarHBondContact O-N 2.95Å
83	I	98	Very high	97.4	Very high	20 Å²	20	58.7 Å²	58.7	10%	0.103	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-67.9	127.3	-171.6	-162.9	167.6	0	0	0	111.9	D33 N55 W68 K79	D33-I83 HydrophobicContact CB-CD1 4.18Å; D33-I83 WeakPolarHBondContact OD2-CD1 3.45Å; N55-I83 HydrophobicContact CB-CD1 4.27Å; N55-I83 HydrophobicContact CB-CG1 4.42Å; W68-I83 HydrophobicContact CZ3-CD1 4.3Å; K79-I83 HydrophobicContact CD-CD1 4.29Å; K79-I83 WeakPolarHBondContact O-CB 3.43Å; K79-I83 WeakPolarHBondContact O-CG2 3.25Å; K79-I83 PolarHBondContact O-N 2.91Å
84	C	98.3	Very high	97.3	Very high	26 Å²	26	53.2 Å²	53.2	18%	0.176	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-86.8	126.4	171.5	-65.3	0	0	0	0	109	N55 G56 Y82 L88	N55-C84 CarbonylContact C-O 3.53Å; N55-C84 WeakPolarHBondContact CA-O 3.39Å; N55-C84 WeakPolarHBondContact CB-O 3.49Å; G56-C84 PolarHBondContact N-O 3.28Å; G56-C84 WeakPolarHBondContact O-CB 3.45Å; G56-C84 PolarHBondContact O-N 2.72Å; Y82-C84 PolarHBondContact O-N 2.95Å; C84-L88 HydrophobicContact CB-CD2 4.06Å
85	H	98.2	Very high	97.1	Very high	60 Å²	60	56.4 Å²	56.4	28%	0.278	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-72.6	157.4	-179.6	-67.1	-170.9	0	0	0	112.4	V87 L88 N89 C111 C114	H85-V87 VanDerWaalsContact C-N 3.29Å; H85-V87 PolarHBondContact O-N 3.38Å; H85-L88 WeakPolarHBondContact O-CB 3.37Å; H85-L88 PolarHBondContact O-N 3.39Å; H85-N89 PolarHBondContact O-N 2.58Å; H85-C111 VanDerWaalsContact CE1-SG 3.55Å; H85-C111 PolarHBondContact ND1-SG 3.04Å; H85-C111 VanDerWaalsContact ND1-SG 3.45Å; H85-C114 PolarHBondContact ND1-SG 2.91Å
86	A	98.7	Very high	96.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-39.5	-179.6	0	0	0	0	0	113.3	E38 A40 N89 A90	E38-A86 HydrophobicContact CB-CB 3.7Å; A40-A86 HydrophobicContact CB-CB 3.93Å; A86-N89 PolarHBondContact O-N 2.7Å; A86-A90 WeakPolarHBondContact O-CB 3.32Å; A86-A90 PolarHBondContact O-N 2.86Å
87	V	98.5	Very high	96.1	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-44.5	178.8	177.8	0	0	0	0	111.6	H85 N89 A90 V91 L104 C114 I118	H85-V87 VanDerWaalsContact C-N 3.29Å; H85-V87 PolarHBondContact O-N 3.38Å; V87-N89 VanDerWaalsContact C-N 3.32Å; V87-N89 PolarHBondContact O-N 3.07Å; V87-A90 PolarHBondContact O-N 3.33Å; V87-V91 WeakPolarHBondContact O-CG2 3.45Å; V87-V91 PolarHBondContact O-N 2.64Å; V87-V91 VanDerWaalsContact O-N 3.07Å; V87-L104 HydrophobicContact CB-CD2 4.49Å; V87-L104 HydrophobicContact CG1-CD2 3.79Å; V87-L104 HydrophobicContact CG2-CD2 3.96Å; V87-C114 HydrophobicContact CB-CB 4.06Å; V87-C114 HydrophobicContact CG1-CB 4.17Å; V87-C114 HydrophobicContact CG2-CB 4.27Å; V87-I118 HydrophobicContact CG1-CD1 4.04Å; V87-I118 HydrophobicContact CG1-CG1 3.81Å
88	L	98.1	Very high	95.7	Very high	47 Å²	47	53.8 Å²	53.8	25%	0.246	30%	0.295	C	S	.	.	H	α-helix	trans	-56.8	-51	175	171.7	64.8	0	0	0	109.6	C84 H85 A90 V91 M92 L117	C84-L88 HydrophobicContact CB-CD2 4.06Å; H85-L88 WeakPolarHBondContact O-CB 3.37Å; H85-L88 PolarHBondContact O-N 3.39Å; L88-A90 PolarHBondContact O-N 2.79Å; L88-V91 PolarHBondContact O-N 3.44Å; L88-M92 HydrophobicContact CD1-CG 3.9Å; L88-M92 HydrophobicContact CG-CG 4.35Å; L88-M92 WeakPolarHBondContact O-CB 3.22Å; L88-M92 VanDerWaalsContact O-CG 3.29Å; L88-M92 WeakPolarHBondContact O-CG 3.41Å; L88-M92 PolarHBondContact O-N 3.12Å; L88-L117 HydrophobicContact CB-CD1 3.93Å; L88-L117 HydrophobicContact CD1-CD1 3.76Å; L88-L117 HydrophobicContact CD1-CD2 4.49Å; L88-L117 HydrophobicContact CG-CD1 4.42Å
89	N	98.3	Very high	95.4	Very high	31 Å²	31	53.7 Å²	53.7	17%	0.166	30%	0.295	C	S	.	.	H	α-helix	trans	-63.6	-39.1	-179	-71	-19.1	0	0	0	112.1	Y54 H85 A86 V87 V91 M92 N93	Y54-N89 PolarHBondContact O-ND2 2.93Å; H85-N89 PolarHBondContact O-N 2.58Å; A86-N89 PolarHBondContact O-N 2.7Å; V87-N89 VanDerWaalsContact C-N 3.32Å; V87-N89 PolarHBondContact O-N 3.07Å; N89-V91 VanDerWaalsContact C-N 3.34Å; N89-V91 PolarHBondContact O-N 3.16Å; N89-M92 PolarHBondContact O-N 3.48Å; N89-N93 WeakPolarHBondContact O-CB 3.39Å; N89-N93 PolarHBondContact O-N 3.47Å; N89-N93 PolarHBondContact O-ND2 3.07Å
90	A	98.3	Very high	95.3	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-38.1	176.1	0	0	0	0	0	112.9	A40 A86 V87 L88	A40-A90 HydrophobicContact CB-CB 3.77Å; A86-A90 WeakPolarHBondContact O-CB 3.32Å; A86-A90 PolarHBondContact O-N 2.86Å; V87-A90 PolarHBondContact O-N 3.33Å; L88-A90 PolarHBondContact O-N 2.79Å
91	V	97.4	Very high	95.4	Very high	14 Å²	14	57.5 Å²	57.5	9%	0.085	31%	0.312	C	S	.	.	H	α-helix	trans	-74.6	-34.4	177.1	173.2	0	0	0	0	112	V87 L88 N89 K94 A121 I123	V87-V91 WeakPolarHBondContact O-CG2 3.45Å; V87-V91 PolarHBondContact O-N 2.64Å; V87-V91 VanDerWaalsContact O-N 3.07Å; L88-V91 PolarHBondContact O-N 3.44Å; N89-V91 VanDerWaalsContact C-N 3.34Å; N89-V91 PolarHBondContact O-N 3.16Å; V91-K94 WeakPolarHBondContact O-CD 3.37Å; V91-K94 WeakPolarHBondContact O-CG 3.15Å; V91-K94 PolarHBondContact O-NZ 3.21Å; V91-A121 HydrophobicContact CG1-CB 4.24Å; V91-I123 HydrophobicContact CG2-CD1 4.03Å
92	M	96.4	Very high	95.4	Very high	128 Å²	128	54.5 Å²	54.5	63%	0.631	29%	0.293	S	S	*	.	H	α-helix	trans	-75.3	-38.3	178	-70.7	-55.7	-64.2	0	0	112.2	L88 N89 K94	L88-M92 HydrophobicContact CD1-CG 3.9Å; L88-M92 HydrophobicContact CG-CG 4.35Å; L88-M92 WeakPolarHBondContact O-CB 3.22Å; L88-M92 VanDerWaalsContact O-CG 3.29Å; L88-M92 WeakPolarHBondContact O-CG 3.41Å; L88-M92 PolarHBondContact O-N 3.12Å; N89-M92 PolarHBondContact O-N 3.48Å; M92-K94 PolarHBondContact O-N 3.42Å
93	N	95.6	Very high	95.4	Very high	88 Å²	88	52.8 Å²	52.8	47%	0.471	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	12.6	178.3	-62.7	-20.3	0	0	0	113.2	I52 N89 I95	I52-N93 PolarHBondContact O-ND2 3.33Å; N89-N93 WeakPolarHBondContact O-CB 3.39Å; N89-N93 PolarHBondContact O-N 3.47Å; N89-N93 PolarHBondContact O-ND2 3.07Å; N93-I95 PolarHBondContact O-N 3.26Å
94	K	94.5	Very high	95.5	Very high	71 Å²	71	51.8 Å²	51.8	31%	0.309	28%	0.281	S	S	.	.			trans	-63.2	136.7	-177.6	68.5	179	169.7	-82.5	0	110.9	V50 V91 M92 S96 V99	V50-K94 CarbonylContact O-C 3.59Å; V50-K94 WeakPolarHBondContact O-CA 3.42Å; V91-K94 WeakPolarHBondContact O-CD 3.37Å; V91-K94 WeakPolarHBondContact O-CG 3.15Å; V91-K94 PolarHBondContact O-NZ 3.21Å; M92-K94 PolarHBondContact O-N 3.42Å; K94-S96 VanDerWaalsContact CD-O 3.3Å; K94-S96 WeakPolarHBondContact CD-O 3.15Å; K94-S96 WeakPolarHBondContact CG-O 3.44Å; K94-V99 HydrophobicContact CB-CG1 4.05Å; K94-V99 HydrophobicContact CD-CB 4.47Å; K94-V99 HydrophobicContact CD-CG1 3.53Å; K94-V99 HydrophobicContact CD-CG2 4.15Å; K94-V99 HydrophobicContact CG-CG1 4.41Å
95	I	93.4	Very high	95.5	Very high	147 Å²	147	50.6 Å²	50.6	75%	0.754	27%	0.273	S	S	*	.	S	Bend	trans	-91.7	-7	173.8	60.2	168.9	0	0	0	112.4	V50 N93	V50-I95 WeakPolarHBondContact O-CG1 3.29Å; V50-I95 PolarHBondContact O-N 2.79Å; N93-I95 PolarHBondContact O-N 3.26Å
96	S	85.9	Confident	95.5	Very high	45 Å²	45	47.8 Å²	47.8	32%	0.315	26%	0.26	S	S	.	.	S	Bend	trans	-96.6	143.9	174.6	-179.8	0	0	0	0	111.1	K94 V98	K94-S96 VanDerWaalsContact CD-O 3.3Å; K94-S96 WeakPolarHBondContact CD-O 3.15Å; K94-S96 WeakPolarHBondContact CG-O 3.44Å; S96-V98 PolarHBondContact O-N 3.4Å; S96-V98 PolarHBondContact OG-N 2.83Å; S96-V98 PolarHBondContact OG-O 3.41Å
97	A	85.6	Confident	95.5	Very high	98 Å²	98	47.9 Å²	47.9	81%	0.81	26%	0.261	S	S	*	.	S	Bend	trans	-62.5	-31.9	172.4	0	0	0	0	0	112.4
98	V	88.3	Confident	95.5	Very high	97 Å²	97	49 Å²	49	59%	0.588	27%	0.266	S	S	*	.			trans	-134.4	135.1	-176.1	178.9	0	0	0	0	109.8	S96 K100	S96-V98 PolarHBondContact O-N 3.4Å; S96-V98 PolarHBondContact OG-N 2.83Å; S96-V98 PolarHBondContact OG-O 3.41Å; V98-K100 HydrophobicContact CG1-CB 3.54Å
99	V	92.7	Very high	95.5	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.03	26%	0.259	C	S	.	.			trans	-118.1	18.1	175.3	-66	0	0	0	0	112.3	L42 V50 K94 D101 C102 A121	L42-V99 HydrophobicContact CD2-CB 3.79Å; L42-V99 HydrophobicContact CD2-CG1 3.47Å; L42-V99 VanDerWaalsContact CD2-CG1 3.47Å; L42-V99 HydrophobicContact CD2-CG2 4.25Å; L42-V99 HydrophobicContact CG-CG1 4.43Å; V50-V99 HydrophobicContact CG2-CG1 4.18Å; K94-V99 HydrophobicContact CB-CG1 4.05Å; K94-V99 HydrophobicContact CD-CB 4.47Å; K94-V99 HydrophobicContact CD-CG1 3.53Å; K94-V99 HydrophobicContact CD-CG2 4.15Å; K94-V99 HydrophobicContact CG-CG1 4.41Å; V99-D101 PolarHBondContact O-N 3.38Å; V99-C102 VanDerWaalsContact C-SG 3.58Å; V99-C102 VanDerWaalsContact CA-SG 3.57Å; V99-C102 HydrophobicContact CB-CB 4.38Å; V99-C102 WeakPolarHBondContact O-CB 3.47Å; V99-C102 PolarHBondContact O-N 3.13Å; V99-C102 PolarHBondContact O-SG 2.96Å; V99-A121 HydrophobicContact CG2-CB 3.9Å
100	K	95.5	Very high	95.5	Very high	139 Å²	139	46.8 Å²	46.8	60%	0.604	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	137.3	173	-175	178.8	177.2	-177.5	0	110	V98 C102 G122	V98-K100 HydrophobicContact CG1-CB 3.54Å; K100-C102 PolarHBondContact O-N 3.44Å; K100-C102 VanDerWaalsContact O-N 3.17Å; K100-G122 CarbonylContact C-O 3.6Å; K100-G122 WeakPolarHBondContact CA-O 3.48Å
101	D	96.5	Very high	95.4	Very high	50 Å²	50	47.8 Å²	47.8	27%	0.267	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	19.6	-176.9	-49.8	-26.2	0	0	0	114.4	K45 V99 G122	K45-D101 VanDerWaalsContact NZ-CB 3.32Å; K45-D101 IonicContact NZ-OD2 3.53Å; K45-D101 PolarHBondContact NZ-OD2 2.79Å; V99-D101 PolarHBondContact O-N 3.38Å; D101-G122 PolarHBondContact N-O 2.84Å
102	C	97.9	Very high	95.4	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.027	27%	0.27	C	S	.	.			trans	-74	165.3	169.3	-69.5	0	0	0	0	111	L42 V43 V99 K100 I123 K124	L42-C102 HydrophobicContact CD1-CB 3.71Å; L42-C102 HydrophobicContact CG-CB 4.2Å; V43-C102 CarbonylContact O-C 3.55Å; V43-C102 WeakPolarHBondContact O-CA 3.38Å; V43-C102 VanDerWaalsContact O-CB 3.27Å; V43-C102 WeakPolarHBondContact O-CB 3.31Å; V99-C102 VanDerWaalsContact C-SG 3.58Å; V99-C102 VanDerWaalsContact CA-SG 3.57Å; V99-C102 HydrophobicContact CB-CB 4.38Å; V99-C102 WeakPolarHBondContact O-CB 3.47Å; V99-C102 PolarHBondContact O-N 3.13Å; V99-C102 PolarHBondContact O-SG 2.96Å; K100-C102 PolarHBondContact O-N 3.44Å; K100-C102 VanDerWaalsContact O-N 3.17Å; C102-I123 VanDerWaalsContact O-CG2 3.32Å; C102-I123 WeakPolarHBondContact O-CG2 3.38Å; C102-K124 PolarHBondContact O-N 3.45Å; C102-K124 VanDerWaalsContact O-N 3.11Å
103	R	98.4	Very high	95.4	Very high	34 Å²	34	49.2 Å²	49.2	13%	0.128	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.8	173.8	-54.9	175.2	-74.7	167.2	-1.9	109	V43 N44 N47 F105 E125	V43-R103 PolarHBondContact N-O 2.77Å; V43-R103 PolarHBondContact O-N 2.58Å; N44-R103 PolarHBondContact O-NH2 3.36Å; N47-R103 PolarHBondContact OD1-NH2 3.47Å; R103-F105 HydrophobicContact CB-CE2 4.35Å; R103-E125 CarbonylContact C-O 3.56Å; R103-E125 VanDerWaalsContact CA-O 3.31Å; R103-E125 WeakPolarHBondContact CA-O 3.48Å; R103-E125 HydrophobicContact CB-CB 4.3Å; R103-E125 HydrophobicContact CG-CB 3.92Å; R103-E125 HydrophobicContact CG-CG 4.16Å
104	L	98.8	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.9	178	176.9	69.9	0	0	0	109.6	A40 L42 V87 I118 I123 E125 V126 Y127	A40-L104 HydrophobicContact CB-CD1 4.16Å; L42-L104 HydrophobicContact CD1-CB 4.31Å; L42-L104 HydrophobicContact CD1-CD1 4.36Å; V87-L104 HydrophobicContact CB-CD2 4.49Å; V87-L104 HydrophobicContact CG1-CD2 3.79Å; V87-L104 HydrophobicContact CG2-CD2 3.96Å; L104-I118 HydrophobicContact CD2-CD1 3.5Å; L104-I118 HydrophobicContact CD2-CG1 3.72Å; L104-I123 HydrophobicContact CB-CG2 3.97Å; L104-E125 PolarHBondContact N-O 3.27Å; L104-V126 HydrophobicContact CB-CG2 4.45Å; L104-V126 CarbonylContact O-C 3.58Å; L104-V126 WeakPolarHBondContact O-CA 3.33Å; L104-Y127 PolarHBondContact O-N 3.44Å
105	F	98.9	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.1	166.1	-66.2	-101.1	0	0	0	107.6	N17 F20 M21 A40 C41 V43 R103 Y127	N17-F105 HydrophobicContact CB-CE1 4Å; N17-F105 HydrophobicContact CB-CZ 4.35Å; F20-F105 HydrophobicContact CB-CB 4.44Å; F20-F105 HydrophobicContact CB-CD1 4.04Å; F20-F105 HydrophobicContact CB-CD2 3.55Å; F20-F105 HydrophobicContact CB-CE1 4.18Å; F20-F105 HydrophobicContact CB-CE2 3.71Å; F20-F105 HydrophobicContact CB-CG 3.74Å; F20-F105 HydrophobicContact CB-CZ 4.03Å; F20-F105 HydrophobicContact CD2-CD2 4.29Å; F20-F105 AromaticContact CD2-CE2 3.61Å; F20-F105 HydrophobicContact CD2-CE2 3.61Å; F20-F105 AromaticContact CD2-CZ 3.82Å; F20-F105 HydrophobicContact CD2-CZ 3.82Å; F20-F105 HydrophobicContact CG-CD2 4.25Å; F20-F105 HydrophobicContact CG-CE2 4.02Å; F20-F105 HydrophobicContact CG-CZ 4.42Å; M21-F105 HydrophobicContact CB-CD1 4.23Å; M21-F105 HydrophobicContact CE-CB 4.31Å; M21-F105 HydrophobicContact CE-CD1 4.21Å; A40-F105 CarbonylContact C-O 3.58Å; A40-F105 VanDerWaalsContact CA-O 3.25Å; A40-F105 WeakPolarHBondContact CA-O 3.47Å; C41-F105 HydrophobicContact CB-CB 4.32Å; C41-F105 PolarHBondContact N-O 2.88Å; C41-F105 PolarHBondContact O-N 3.2Å; V43-F105 HydrophobicContact CG2-CD2 4.01Å; V43-F105 HydrophobicContact CG2-CE2 4.12Å; R103-F105 HydrophobicContact CB-CE2 4.35Å; F105-Y127 CarbonylContact C-O 3.54Å; F105-Y127 WeakPolarHBondContact CA-O 3.16Å; F105-Y127 HydrophobicContact CD1-CD2 4.24Å; F105-Y127 HydrophobicContact CD1-CG 4.2Å; F105-Y127 AromaticContact CE1-CD2 3.74Å; F105-Y127 HydrophobicContact CE1-CD2 3.74Å; F105-Y127 AromaticContact CE1-CG 3.85Å; F105-Y127 HydrophobicContact CE1-CG 3.85Å; F105-Y127 HydrophobicContact CE2-CD2 4.09Å; F105-Y127 AromaticContact CZ-CD2 3.65Å; F105-Y127 HydrophobicContact CZ-CD2 3.65Å; F105-Y127 HydrophobicContact CZ-CE2 4.13Å; F105-Y127 HydrophobicContact CZ-CG 4.24Å
106	S	98.7	Very high	95.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.5	176.9	-169.6	0	0	0	0	110.3	M21 G39 H108 Y127 Y128 L129	M21-S106 WeakPolarHBondContact CE-O 3.34Å; G39-S106 CarbonylContact O-C 3.57Å; G39-S106 WeakPolarHBondContact O-CA 3.31Å; G39-S106 PolarHBondContact O-OG 3.32Å; S106-H108 WeakPolarHBondContact CB-O 3.37Å; S106-H108 PolarHBondContact O-N 3.42Å; S106-H108 PolarHBondContact OG-O 3.16Å; S106-Y127 PolarHBondContact N-O 2.74Å; S106-Y128 VanDerWaalsContact O-CA 3.23Å; S106-Y128 WeakPolarHBondContact O-CA 3.48Å; S106-L129 PolarHBondContact O-N 3.35Å
107	T	98.6	Very high	96.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-28	177.3	58.6	0	0	0	0	111.7	A24 L25 E38 G39 L129 Y130	A24-T107 HydrophobicContact CB-CG2 4.06Å; L25-T107 HydrophobicContact CD2-CG2 3.88Å; L25-T107 HydrophobicContact CG-CG2 4.12Å; E38-T107 WeakPolarHBondContact CA-OG1 3.4Å; G39-T107 PolarHBondContact N-OG1 3.42Å; G39-T107 PolarHBondContact O-N 2.9Å; T107-L129 WeakPolarHBondContact O-CB 3.5Å; T107-L129 PolarHBondContact O-N 2.78Å; T107-Y130 WeakPolarHBondContact O-CD2 3.08Å; T107-Y130 PolarHBondContact O-N 2.81Å
108	H	98.2	Very high	97.1	Very high	29 Å²	29	31.6 Å²	31.6	13%	0.134	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.3	-179.5	-65.7	79.3	0	0	0	111.6	L36 Q37 S106 Y130	L36-H108 WeakPolarHBondContact CD1-NE2 3.48Å; Q37-H108 PolarHBondContact O-CE1 3.08Å; S106-H108 WeakPolarHBondContact CB-O 3.37Å; S106-H108 PolarHBondContact O-N 3.42Å; S106-H108 PolarHBondContact OG-O 3.16Å; H108-Y130 CarbonylContact C-O 3.52Å; H108-Y130 WeakPolarHBondContact CA-O 3.34Å; H108-Y130 AromaticContact CE1-CD2 3.7Å; H108-Y130 AromaticContact NE2-CD2 3.55Å
109	Y	98.3	Very high	97.6	Very high	28 Å²	28	28.8 Å²	28.8	11%	0.11	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-59.6	125.9	172.9	-171.6	-93	0	0	0	110	C111 Y128 Y130 N132 T141 A142 C152	Y109-C111 PolarHBondContact O-N 3.44Å; Y109-Y128 AromaticContact CD2-CD1 3.64Å; Y109-Y128 HydrophobicContact CD2-CD1 3.64Å; Y109-Y128 AromaticContact CD2-CD2 3.98Å; Y109-Y128 HydrophobicContact CD2-CD2 3.98Å; Y109-Y128 AromaticContact CD2-CE1 3.53Å; Y109-Y128 HydrophobicContact CD2-CE1 3.53Å; Y109-Y128 AromaticContact CD2-CE2 3.88Å; Y109-Y128 HydrophobicContact CD2-CE2 3.88Å; Y109-Y128 AromaticContact CD2-CG 3.85Å; Y109-Y128 HydrophobicContact CD2-CG 3.85Å; Y109-Y128 AromaticContact CD2-CZ 3.64Å; Y109-Y128 HydrophobicContact CE2-CD1 4.26Å; Y109-Y128 AromaticContact CE2-CE1 3.96Å; Y109-Y128 HydrophobicContact CE2-CE1 3.96Å; Y109-Y128 HydrophobicContact CG-CD2 4.42Å; Y109-Y128 HydrophobicContact CG-CE2 4.44Å; Y109-Y130 PolarHBondContact N-O 3.47Å; Y109-N132 HydrophobicContact CD1-CB 4.22Å; Y109-T141 HydrophobicContact CD1-CG2 4.36Å; Y109-T141 HydrophobicContact CE1-CG2 3.46Å; Y109-T141 VanDerWaalsContact CE1-CG2 3.46Å; Y109-A142 PolarHBondContact OH-N 3.21Å; Y109-C152 WeakPolarHBondContact CE2-SG 3.25Å
110	P	98	Very high	97.8	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.019	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-60.3	136.9	-172.5	-24.9	33.4	0	0	0	113.2	C114 I118 V126 T141 F145	P110-C114 HydrophobicContact CB-CB 3.97Å; P110-I118 HydrophobicContact CB-CD1 3.93Å; P110-I118 HydrophobicContact CG-CD1 3.77Å; P110-V126 HydrophobicContact CG-CG1 3.93Å; P110-T141 WeakPolarHBondContact O-CG2 3.27Å; P110-T141 PolarHBondContact O-OG1 3.07Å; P110-F145 HydrophobicContact CB-CZ 4.46Å; P110-F145 HydrophobicContact CG-CE2 4.46Å; P110-F145 HydrophobicContact CG-CZ 4.33Å
111	C	96.8	Very high	97.9	Very high	20 Å²	20	31.1 Å²	31.1	14%	0.135	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-65.3	165.6	165.5	77.2	0	0	0	0	111.3	H85 Y109 H113 C114 A115 T137 T141	H85-C111 VanDerWaalsContact CE1-SG 3.55Å; H85-C111 PolarHBondContact ND1-SG 3.04Å; H85-C111 VanDerWaalsContact ND1-SG 3.45Å; Y109-C111 PolarHBondContact O-N 3.44Å; C111-H113 VanDerWaalsContact C-N 3.26Å; C111-H113 PolarHBondContact O-N 2.81Å; C111-C114 PolarHBondContact O-N 3.28Å; C111-C114 VanDerWaalsContact O-N 3.13Å; C111-C114 PolarHBondContact SG-N 3.46Å; C111-C114 VanDerWaalsContact SG-N 3.44Å; C111-A115 PolarHBondContact O-N 3.09Å; C111-T137 VanDerWaalsContact CA-CG2 3.49Å; C111-T137 HydrophobicContact CB-CG2 3.61Å; C111-T141 PolarHBondContact O-OG1 3.29Å
112	S	96.5	Very high	97.9	Very high	45 Å²	45	29.6 Å²	29.6	32%	0.315	16%	0.162	S	C	.	.	H	α-helix	trans	-62.3	-32	-176.8	58.3	0	0	0	0	113.2	A115 G116 T141	S112-A115 WeakPolarHBondContact O-CB 3.39Å; S112-A115 PolarHBondContact O-N 2.96Å; S112-G116 PolarHBondContact O-N 2.94Å; S112-T141 WeakPolarHBondContact CA-OG1 3.49Å; S112-T141 PolarHBondContact N-OG1 2.95Å
113	H	96.4	Very high	97.9	Very high	128 Å²	128	29.4 Å²	29.4	59%	0.593	16%	0.161	S	C	*	.	H	α-helix	trans	-66.7	-47.5	173.7	-171	80.5	0	0	0	111.6	C111 A115 G116 L117	C111-H113 VanDerWaalsContact C-N 3.26Å; C111-H113 PolarHBondContact O-N 2.81Å; H113-A115 VanDerWaalsContact C-N 3.28Å; H113-A115 PolarHBondContact O-N 3.48Å; H113-G116 PolarHBondContact O-N 3.46Å; H113-L117 PolarHBondContact O-N 3.11Å; H113-L117 VanDerWaalsContact O-N 3.12Å
114	C	98.1	Very high	97.9	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.027	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-37	173.5	-70.2	0	0	0	0	111.9	H85 V87 P110 C111 G116 L117 I118	H85-C114 PolarHBondContact ND1-SG 2.91Å; V87-C114 HydrophobicContact CB-CB 4.06Å; V87-C114 HydrophobicContact CG1-CB 4.17Å; V87-C114 HydrophobicContact CG2-CB 4.27Å; P110-C114 HydrophobicContact CB-CB 3.97Å; C111-C114 PolarHBondContact O-N 3.28Å; C111-C114 VanDerWaalsContact O-N 3.13Å; C111-C114 PolarHBondContact SG-N 3.46Å; C111-C114 VanDerWaalsContact SG-N 3.44Å; C114-G116 VanDerWaalsContact C-N 3.32Å; C114-G116 PolarHBondContact O-N 2.8Å; C114-L117 WeakPolarHBondContact O-CB 3.42Å; C114-L117 PolarHBondContact O-N 2.92Å; C114-L117 VanDerWaalsContact O-N 3.16Å; C114-I118 WeakPolarHBondContact O-CD1 3.13Å; C114-I118 VanDerWaalsContact O-CG1 3.23Å; C114-I118 WeakPolarHBondContact O-CG1 3.46Å; C114-I118 PolarHBondContact O-N 2.85Å
115	A	98.4	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-43.1	174.8	0	0	0	0	0	111.7	C111 S112 H113 L117 I118 I119 T141 L144 F145	C111-A115 PolarHBondContact O-N 3.09Å; S112-A115 WeakPolarHBondContact O-CB 3.39Å; S112-A115 PolarHBondContact O-N 2.96Å; H113-A115 VanDerWaalsContact C-N 3.28Å; H113-A115 PolarHBondContact O-N 3.48Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-L117 PolarHBondContact O-N 2.8Å; A115-I118 PolarHBondContact O-N 3.13Å; A115-I119 WeakPolarHBondContact O-CD1 3.41Å; A115-I119 VanDerWaalsContact O-CG1 3.31Å; A115-I119 WeakPolarHBondContact O-CG1 3.47Å; A115-I119 PolarHBondContact O-N 3.3Å; A115-T141 HydrophobicContact CB-CG2 3.77Å; A115-L144 HydrophobicContact CB-CD1 3.98Å; A115-F145 HydrophobicContact CB-CD1 4.33Å; A115-F145 HydrophobicContact CB-CE1 3.64Å; A115-F145 HydrophobicContact CB-CZ 3.88Å
116	G	98	Very high	97.9	Very high	29 Å²	29	34.8 Å²	34.8	30%	0.299	19%	0.187	S	C	.	.	H	α-helix	trans	-58.5	-44.1	172.5	0	0	0	0	0	112.7	S112 H113 C114 I119 Q120	S112-G116 PolarHBondContact O-N 2.94Å; H113-G116 PolarHBondContact O-N 3.46Å; C114-G116 VanDerWaalsContact C-N 3.32Å; C114-G116 PolarHBondContact O-N 2.8Å; G116-I119 PolarHBondContact O-N 3.21Å; G116-Q120 WeakPolarHBondContact O-CB 3.2Å; G116-Q120 WeakPolarHBondContact O-CG 3.2Å; G116-Q120 PolarHBondContact O-N 3.32Å
117	L	97.6	Very high	97.9	Very high	46 Å²	46	36.3 Å²	36.3	24%	0.241	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-43.8	176.1	-67.9	171.2	0	0	0	112.4	L88 H113 C114 A115 I119 Q120 A121	L88-L117 HydrophobicContact CB-CD1 3.93Å; L88-L117 HydrophobicContact CD1-CD1 3.76Å; L88-L117 HydrophobicContact CD1-CD2 4.49Å; L88-L117 HydrophobicContact CG-CD1 4.42Å; H113-L117 PolarHBondContact O-N 3.11Å; H113-L117 VanDerWaalsContact O-N 3.12Å; C114-L117 WeakPolarHBondContact O-CB 3.42Å; C114-L117 PolarHBondContact O-N 2.92Å; C114-L117 VanDerWaalsContact O-N 3.16Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-L117 PolarHBondContact O-N 2.8Å; L117-I119 VanDerWaalsContact C-N 3.34Å; L117-I119 PolarHBondContact O-N 2.81Å; L117-Q120 PolarHBondContact O-N 2.9Å; L117-A121 WeakPolarHBondContact O-CB 3.22Å; L117-A121 PolarHBondContact O-N 3.35Å
118	I	98.5	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-49.4	177	-72.6	162.7	0	0	0	110.2	V87 L104 P110 C114 A115 A121 G122 I123 V126 F145 V150	V87-I118 HydrophobicContact CG1-CD1 4.04Å; V87-I118 HydrophobicContact CG1-CG1 3.81Å; L104-I118 HydrophobicContact CD2-CD1 3.5Å; L104-I118 HydrophobicContact CD2-CG1 3.72Å; P110-I118 HydrophobicContact CB-CD1 3.93Å; P110-I118 HydrophobicContact CG-CD1 3.77Å; C114-I118 WeakPolarHBondContact O-CD1 3.13Å; C114-I118 VanDerWaalsContact O-CG1 3.23Å; C114-I118 WeakPolarHBondContact O-CG1 3.46Å; C114-I118 PolarHBondContact O-N 2.85Å; A115-I118 PolarHBondContact O-N 3.13Å; I118-A121 PolarHBondContact O-N 3.42Å; I118-G122 PolarHBondContact O-N 3.18Å; I118-I123 HydrophobicContact CG2-CB 3.83Å; I118-I123 HydrophobicContact CG2-CG2 3.89Å; I118-I123 WeakPolarHBondContact O-CB 3.33Å; I118-I123 PolarHBondContact O-N 3.33Å; I118-V126 HydrophobicContact CD1-CG2 4.12Å; I118-V126 HydrophobicContact CG2-CG2 3.91Å; I118-F145 HydrophobicContact CB-CE1 4.23Å; I118-F145 HydrophobicContact CD1-CE1 4.36Å; I118-F145 HydrophobicContact CD1-CZ 3.83Å; I118-F145 HydrophobicContact CG2-CE1 3.9Å; I118-F145 HydrophobicContact CG2-CZ 4.23Å; I118-V150 HydrophobicContact CG2-CG1 4.16Å
119	I	98.3	Very high	97.8	Very high	37 Å²	37	38.2 Å²	38.2	19%	0.19	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-48.6	179.5	-69.1	161.8	0	0	0	110.8	A115 G116 L117 A121 G122 L144 F145 C148 V150	A115-I119 WeakPolarHBondContact O-CD1 3.41Å; A115-I119 VanDerWaalsContact O-CG1 3.31Å; A115-I119 WeakPolarHBondContact O-CG1 3.47Å; A115-I119 PolarHBondContact O-N 3.3Å; G116-I119 PolarHBondContact O-N 3.21Å; L117-I119 VanDerWaalsContact C-N 3.34Å; L117-I119 PolarHBondContact O-N 2.81Å; I119-A121 VanDerWaalsContact C-N 3.31Å; I119-A121 PolarHBondContact O-N 3.2Å; I119-G122 PolarHBondContact O-N 3.26Å; I119-L144 HydrophobicContact CD1-CB 3.78Å; I119-F145 HydrophobicContact CD1-CD1 4.14Å; I119-F145 HydrophobicContact CD1-CE1 4.48Å; I119-F145 HydrophobicContact CG1-CD1 4.29Å; I119-F145 HydrophobicContact CG1-CE1 4.43Å; I119-C148 HydrophobicContact CD1-CB 3.89Å; I119-C148 HydrophobicContact CG1-CB 3.94Å; I119-C148 HydrophobicContact CG2-CB 3.98Å; I119-V150 HydrophobicContact CG1-CG2 3.95Å
120	Q	97.3	Very high	97.8	Very high	169 Å²	169	42.5 Å²	42.5	79%	0.79	22%	0.218	S	C	*	.	H	α-helix	trans	-65.6	-32.9	-179.3	-78.7	-63.1	99.7	0	0	113.2	G116 L117 G122	G116-Q120 WeakPolarHBondContact O-CB 3.2Å; G116-Q120 WeakPolarHBondContact O-CG 3.2Å; G116-Q120 PolarHBondContact O-N 3.32Å; L117-Q120 PolarHBondContact O-N 2.9Å; Q120-G122 PolarHBondContact O-N 3.06Å
121	A	96.9	Very high	97.8	Very high	25 Å²	25	46.6 Å²	46.6	21%	0.207	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-12.9	173.9	0	0	0	0	0	112.8	V91 V99 L117 I118 I119 I123	V91-A121 HydrophobicContact CG1-CB 4.24Å; V99-A121 HydrophobicContact CG2-CB 3.9Å; L117-A121 WeakPolarHBondContact O-CB 3.22Å; L117-A121 PolarHBondContact O-N 3.35Å; I118-A121 PolarHBondContact O-N 3.42Å; I119-A121 VanDerWaalsContact C-N 3.31Å; I119-A121 PolarHBondContact O-N 3.2Å; A121-I123 HydrophobicContact CB-CD1 4.02Å; A121-I123 HydrophobicContact CB-CG1 4.08Å
122	G	97.3	Very high	97.4	Very high	17 Å²	17	47.4 Å²	47.4	18%	0.175	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	17.8	-177.7	0	0	0	0	0	113.8	K100 D101 I118 I119 Q120	K100-G122 CarbonylContact C-O 3.6Å; K100-G122 WeakPolarHBondContact CA-O 3.48Å; D101-G122 PolarHBondContact N-O 2.84Å; I118-G122 PolarHBondContact O-N 3.18Å; I119-G122 PolarHBondContact O-N 3.26Å; Q120-G122 PolarHBondContact O-N 3.06Å
123	I	98.3	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.			trans	-69.5	138.3	175.5	-63.5	168	0	0	0	108.4	L42 V91 C102 L104 I118 A121	L42-I123 HydrophobicContact CD1-CD1 3.52Å; L42-I123 HydrophobicContact CD1-CG1 3.92Å; L42-I123 HydrophobicContact CD2-CD1 4.38Å; V91-I123 HydrophobicContact CG2-CD1 4.03Å; C102-I123 VanDerWaalsContact O-CG2 3.32Å; C102-I123 WeakPolarHBondContact O-CG2 3.38Å; L104-I123 HydrophobicContact CB-CG2 3.97Å; I118-I123 HydrophobicContact CG2-CB 3.83Å; I118-I123 HydrophobicContact CG2-CG2 3.89Å; I118-I123 WeakPolarHBondContact O-CB 3.33Å; I118-I123 PolarHBondContact O-N 3.33Å; A121-I123 HydrophobicContact CB-CD1 4.02Å; A121-I123 HydrophobicContact CB-CG1 4.08Å
124	K	97.5	Very high	96.8	Very high	81 Å²	81	48.2 Å²	48.2	35%	0.352	25%	0.254	S	S	.	.			trans	-115.7	-20.7	-170.5	-70.3	-56	-172.1	-177.5	0	115.6	C102 C148 V150 S151	C102-K124 PolarHBondContact O-N 3.45Å; C102-K124 VanDerWaalsContact O-N 3.11Å; K124-C148 PolarHBondContact NZ-O 3.37Å; K124-V150 CarbonylContact O-C 3.48Å; K124-V150 WeakPolarHBondContact O-CA 3.48Å; K124-S151 PolarHBondContact O-N 3.15Å; K124-S151 PolarHBondContact O-OG 3.03Å
125	E	98.6	Very high	96.5	Very high	66 Å²	66	52.9 Å²	52.9	31%	0.308	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.7	-179.7	-46.7	170.4	-134.6	0	0	109.4	R103 L104 Y127 S151	R103-E125 CarbonylContact C-O 3.56Å; R103-E125 VanDerWaalsContact CA-O 3.31Å; R103-E125 WeakPolarHBondContact CA-O 3.48Å; R103-E125 HydrophobicContact CB-CB 4.3Å; R103-E125 HydrophobicContact CG-CB 3.92Å; R103-E125 HydrophobicContact CG-CG 4.16Å; L104-E125 PolarHBondContact N-O 3.27Å; E125-Y127 HydrophobicContact CB-CE2 4.26Å; E125-Y127 PolarHBondContact OE2-OH 2.79Å; E125-S151 CarbonylContact C-O 3.6Å; E125-S151 WeakPolarHBondContact CA-O 3.4Å; E125-S151 WeakPolarHBondContact CA-OG 3.38Å; E125-S151 WeakPolarHBondContact CB-OG 3.47Å; E125-S151 WeakPolarHBondContact CG-OG 3.34Å
126	V	98.8	Very high	96.2	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.4	178.3	-178.4	0	0	0	0	108.7	L104 P110 I118 F145 V150 S151 C152 E153	L104-V126 HydrophobicContact CB-CG2 4.45Å; L104-V126 CarbonylContact O-C 3.58Å; L104-V126 WeakPolarHBondContact O-CA 3.33Å; P110-V126 HydrophobicContact CG-CG1 3.93Å; I118-V126 HydrophobicContact CD1-CG2 4.12Å; I118-V126 HydrophobicContact CG2-CG2 3.91Å; V126-F145 HydrophobicContact CG2-CE2 4.28Å; V126-F145 HydrophobicContact CG2-CZ 4.08Å; V126-V150 HydrophobicContact CG2-CG1 4.02Å; V126-S151 PolarHBondContact N-O 2.76Å; V126-C152 HydrophobicContact CB-CB 4.22Å; V126-C152 CarbonylContact O-C 3.49Å; V126-C152 VanDerWaalsContact O-CA 3.31Å; V126-C152 WeakPolarHBondContact O-CA 3.18Å; V126-E153 PolarHBondContact O-N 3.33Å
127	Y	98.8	Very high	96	Very high	33 Å²	33	59 Å²	59	13%	0.129	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.4	171	-64.3	-80.4	0	0	0	108.8	L104 F105 S106 E125 E153	L104-Y127 PolarHBondContact O-N 3.44Å; F105-Y127 CarbonylContact C-O 3.54Å; F105-Y127 WeakPolarHBondContact CA-O 3.16Å; F105-Y127 HydrophobicContact CD1-CD2 4.24Å; F105-Y127 HydrophobicContact CD1-CG 4.2Å; F105-Y127 AromaticContact CE1-CD2 3.74Å; F105-Y127 HydrophobicContact CE1-CD2 3.74Å; F105-Y127 AromaticContact CE1-CG 3.85Å; F105-Y127 HydrophobicContact CE1-CG 3.85Å; F105-Y127 HydrophobicContact CE2-CD2 4.09Å; F105-Y127 AromaticContact CZ-CD2 3.65Å; F105-Y127 HydrophobicContact CZ-CD2 3.65Å; F105-Y127 HydrophobicContact CZ-CE2 4.13Å; F105-Y127 HydrophobicContact CZ-CG 4.24Å; S106-Y127 PolarHBondContact N-O 2.74Å; E125-Y127 HydrophobicContact CB-CE2 4.26Å; E125-Y127 PolarHBondContact OE2-OH 2.79Å; Y127-E153 VanDerWaalsContact CA-O 3.3Å; Y127-E153 WeakPolarHBondContact CA-O 3.31Å; Y127-E153 HydrophobicContact CD1-CB 4.35Å; Y127-E153 HydrophobicContact CE1-CB 4.38Å
128	Y	98.6	Very high	95.8	Very high	30 Å²	30	58 Å²	58	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.5	-178.2	77.7	-85	0	0	0	112.7	S106 Y109 Y130 D131 E153 R154 Y155	S106-Y128 VanDerWaalsContact O-CA 3.23Å; S106-Y128 WeakPolarHBondContact O-CA 3.48Å; Y109-Y128 AromaticContact CD2-CD1 3.64Å; Y109-Y128 HydrophobicContact CD2-CD1 3.64Å; Y109-Y128 AromaticContact CD2-CD2 3.98Å; Y109-Y128 HydrophobicContact CD2-CD2 3.98Å; Y109-Y128 AromaticContact CD2-CE1 3.53Å; Y109-Y128 HydrophobicContact CD2-CE1 3.53Å; Y109-Y128 AromaticContact CD2-CE2 3.88Å; Y109-Y128 HydrophobicContact CD2-CE2 3.88Å; Y109-Y128 AromaticContact CD2-CG 3.85Å; Y109-Y128 HydrophobicContact CD2-CG 3.85Å; Y109-Y128 AromaticContact CD2-CZ 3.64Å; Y109-Y128 HydrophobicContact CE2-CD1 4.26Å; Y109-Y128 AromaticContact CE2-CE1 3.96Å; Y109-Y128 HydrophobicContact CE2-CE1 3.96Å; Y109-Y128 HydrophobicContact CG-CD2 4.42Å; Y109-Y128 HydrophobicContact CG-CE2 4.44Å; Y128-Y130 WeakPolarHBondContact CD2-O 3.4Å; Y128-D131 WeakPolarHBondContact CE2-OD1 3.48Å; Y128-D131 PolarHBondContact OH-OD1 3.29Å; Y128-E153 VanDerWaalsContact CD1-O 3.22Å; Y128-E153 WeakPolarHBondContact CD1-O 3.45Å; Y128-E153 PolarHBondContact N-O 2.95Å; Y128-R154 HydrophobicContact CE1-CB 3.95Å; Y128-R154 HydrophobicContact CE2-CB 4.32Å; Y128-R154 CarbonylContact O-C 3.52Å; Y128-R154 WeakPolarHBondContact O-CA 3.25Å; Y128-Y155 WeakPolarHBondContact O-CB 3.22Å; Y128-Y155 PolarHBondContact O-N 3.48Å
129	L	97.9	Very high	95.7	Very high	40 Å²	40	61.7 Å²	61.7	21%	0.209	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-53.4	-179.4	-178.9	65.3	0	0	0	112.8	M21 L25 S106 T107 Y155	M21-L129 HydrophobicContact CE-CB 4.18Å; M21-L129 HydrophobicContact SD-CB 4.13Å; L25-L129 HydrophobicContact CD1-CD2 4Å; L25-L129 HydrophobicContact CD2-CD2 3.85Å; L25-L129 HydrophobicContact CG-CD2 4.23Å; S106-L129 PolarHBondContact O-N 3.35Å; T107-L129 WeakPolarHBondContact O-CB 3.5Å; T107-L129 PolarHBondContact O-N 2.78Å; L129-Y155 HydrophobicContact CD1-CD1 3.92Å; L129-Y155 HydrophobicContact CD1-CE1 4.48Å
130	Y	97.7	Very high	95.7	Very high	118 Å²	118	61.6 Å²	61.6	46%	0.463	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.9	-177.2	-54.5	-63.3	0	0	0	111.7	L25 T107 H108 Y109 Y128	L25-Y130 HydrophobicContact CD2-CE2 4.48Å; T107-Y130 WeakPolarHBondContact O-CD2 3.08Å; T107-Y130 PolarHBondContact O-N 2.81Å; H108-Y130 CarbonylContact C-O 3.52Å; H108-Y130 WeakPolarHBondContact CA-O 3.34Å; H108-Y130 AromaticContact CE1-CD2 3.7Å; H108-Y130 AromaticContact NE2-CD2 3.55Å; Y109-Y130 PolarHBondContact N-O 3.47Å; Y128-Y130 WeakPolarHBondContact CD2-O 3.4Å
131	D	96.5	Very high	95.8	Very high	89 Å²	89	53.6 Å²	53.6	48%	0.476	30%	0.299	S	S	.	.			trans	-65.7	155.6	172.8	-70.2	-28.7	0	0	0	111.3	Y128 R154	Y128-D131 WeakPolarHBondContact CE2-OD1 3.48Å; Y128-D131 PolarHBondContact OH-OD1 3.29Å; D131-R154 IonicContact OD1-CZ 3.75Å; D131-R154 IonicContact OD1-NH2 2.58Å; D131-R154 PolarHBondContact OD1-NH2 3.23Å; D131-R154 IonicContact OD2-CZ 2.81Å; D131-R154 IonicContact OD2-NH2 3.66Å; D131-R154 PolarHBondContact OD2-NH2 2.82Å
132	N	89.6	Confident	95.9	Very high	37 Å²	37	54.6 Å²	54.6	20%	0.198	31%	0.307	C	S	.	.			trans	-88.1	121	167.4	179.7	-16	0	0	0	108.8	Y109 D134 S138	Y109-N132 HydrophobicContact CD1-CB 4.22Å; N132-D134 PolarHBondContact O-N 3.47Å; N132-D134 WeakPolarHBondContact OD1-CB 3.44Å; N132-D134 PolarHBondContact OD1-N 2.91Å; N132-S138 WeakPolarHBondContact CB-OG 3.29Å; N132-S138 PolarHBondContact O-OG 3.08Å; N132-S138 VanDerWaalsContact O-OG 3.11Å
133	P	88.9	Confident	95.9	Very high	122 Å²	122	62.5 Å²	62.5	79%	0.792	33%	0.331	S	S	*	.	S	Bend	trans	-68.6	-19.7	-177.7	28.6	-35.6	0	0	0	113.2	T135	P133-T135 PolarHBondContact O-N 2.83Å; P133-T135 VanDerWaalsContact O-N 3.13Å
134	D	91.5	Very high	95.9	Very high	68 Å²	68	65.4 Å²	65.4	36%	0.364	35%	0.347	S	S	.	.			trans	-74.4	102.6	172.2	-179.5	-7.5	0	0	0	110	N132 I136 T137 S138	N132-D134 PolarHBondContact O-N 3.47Å; N132-D134 WeakPolarHBondContact OD1-CB 3.44Å; N132-D134 PolarHBondContact OD1-N 2.91Å; D134-I136 VanDerWaalsContact C-N 3.34Å; D134-I136 PolarHBondContact O-N 3.46Å; D134-I136 PolarHBondContact OD1-N 3.38Å; D134-T137 VanDerWaalsContact CG-CB 3.47Å; D134-T137 VanDerWaalsContact CG-OG1 3.29Å; D134-T137 PolarHBondContact O-N 3.4Å; D134-T137 PolarHBondContact OD1-N 2.8Å; D134-T137 VanDerWaalsContact OD1-N 3.09Å; D134-T137 WeakPolarHBondContact OD2-CB 3.48Å; D134-T137 PolarHBondContact OD2-OG1 3.03Å; D134-S138 VanDerWaalsContact O-CB 3.31Å; D134-S138 WeakPolarHBondContact O-CB 3.49Å; D134-S138 PolarHBondContact O-N 2.78Å; D134-S138 PolarHBondContact O-OG 3.22Å
135	T	91.1	Very high	96	Very high	103 Å²	103	61.9 Å²	61.9	63%	0.632	33%	0.331	S	S	*	.	H	α-helix	trans	-66.5	-31.6	-178.8	56.8	0	0	0	0	113.5	P133 S139	P133-T135 PolarHBondContact O-N 2.83Å; P133-T135 VanDerWaalsContact O-N 3.13Å; T135-S139 VanDerWaalsContact O-CB 3.26Å; T135-S139 WeakPolarHBondContact O-CB 3.26Å; T135-S139 PolarHBondContact O-N 3.2Å; T135-S139 PolarHBondContact O-OG 2.78Å
136	I	93.2	Very high	96	Very high	132 Å²	132	66 Å²	66	68%	0.677	35%	0.351	S	S	*	.	H	α-helix	trans	-70.1	-50.1	178.9	-64.7	176.6	0	0	0	108.6	D134 S138 S139 A140	D134-I136 VanDerWaalsContact C-N 3.34Å; D134-I136 PolarHBondContact O-N 3.46Å; D134-I136 PolarHBondContact OD1-N 3.38Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 3.37Å; I136-S139 PolarHBondContact O-N 3.41Å; I136-A140 PolarHBondContact O-N 2.73Å
137	T	92.2	Very high	95.9	Very high	26 Å²	26	71.4 Å²	71.4	16%	0.16	38%	0.378	C	S	.	.	H	α-helix	trans	-61.6	-43.4	178.2	-68.5	0	0	0	0	111.2	C111 D134 S139 A140 T141	C111-T137 VanDerWaalsContact CA-CG2 3.49Å; C111-T137 HydrophobicContact CB-CG2 3.61Å; D134-T137 VanDerWaalsContact CG-CB 3.47Å; D134-T137 VanDerWaalsContact CG-OG1 3.29Å; D134-T137 PolarHBondContact O-N 3.4Å; D134-T137 PolarHBondContact OD1-N 2.8Å; D134-T137 VanDerWaalsContact OD1-N 3.09Å; D134-T137 WeakPolarHBondContact OD2-CB 3.48Å; D134-T137 PolarHBondContact OD2-OG1 3.03Å; T137-S139 PolarHBondContact O-N 3.35Å; T137-A140 PolarHBondContact O-N 2.68Å; T137-T141 PolarHBondContact O-N 3.28Å; T137-T141 PolarHBondContact O-OG1 3.25Å
138	S	94.4	Very high	95.9	Very high	24 Å²	24	71.8 Å²	71.8	17%	0.168	39%	0.385	C	S	.	.	H	α-helix	trans	-62.8	-41.3	177.1	-60.2	0	0	0	0	112.5	N132 D134 I136 T141 A142	N132-S138 WeakPolarHBondContact CB-OG 3.29Å; N132-S138 PolarHBondContact O-OG 3.08Å; N132-S138 VanDerWaalsContact O-OG 3.11Å; D134-S138 VanDerWaalsContact O-CB 3.31Å; D134-S138 WeakPolarHBondContact O-CB 3.49Å; D134-S138 PolarHBondContact O-N 2.78Å; D134-S138 PolarHBondContact O-OG 3.22Å; I136-S138 VanDerWaalsContact C-N 3.34Å; I136-S138 PolarHBondContact O-N 3.37Å; S138-T141 PolarHBondContact O-N 2.98Å; S138-A142 WeakPolarHBondContact O-CB 3.38Å; S138-A142 PolarHBondContact O-N 3.24Å
139	S	97.3	Very high	95.9	Very high	77 Å²	77	76.7 Å²	76.7	54%	0.538	41%	0.413	S	S	.	.	H	α-helix	trans	-65.8	-38.1	176.6	-61.9	0	0	0	0	112.3	T135 I136 T137 A142 R143	T135-S139 VanDerWaalsContact O-CB 3.26Å; T135-S139 WeakPolarHBondContact O-CB 3.26Å; T135-S139 PolarHBondContact O-N 3.2Å; T135-S139 PolarHBondContact O-OG 2.78Å; I136-S139 PolarHBondContact O-N 3.41Å; T137-S139 PolarHBondContact O-N 3.35Å; S139-A142 PolarHBondContact O-N 3.36Å; S139-R143 WeakPolarHBondContact O-CB 3.39Å; S139-R143 PolarHBondContact O-N 3.06Å
140	A	98.1	Very high	95.9	Very high	36 Å²	36	75.3 Å²	75.3	30%	0.298	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-45.1	174.7	0	0	0	0	0	111.7	I136 T137 R143 L144	I136-A140 PolarHBondContact O-N 2.73Å; T137-A140 PolarHBondContact O-N 2.68Å; A140-R143 PolarHBondContact O-N 3.01Å; A140-L144 WeakPolarHBondContact O-CG 3.24Å; A140-L144 PolarHBondContact O-N 2.89Å
141	T	98.4	Very high	96	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-59.1	-49	173.4	-66.2	0	0	0	0	111.6	Y109 P110 C111 S112 A115 T137 S138 R143 L144 F145	Y109-T141 HydrophobicContact CD1-CG2 4.36Å; Y109-T141 HydrophobicContact CE1-CG2 3.46Å; Y109-T141 VanDerWaalsContact CE1-CG2 3.46Å; P110-T141 WeakPolarHBondContact O-CG2 3.27Å; P110-T141 PolarHBondContact O-OG1 3.07Å; C111-T141 PolarHBondContact O-OG1 3.29Å; S112-T141 WeakPolarHBondContact CA-OG1 3.49Å; S112-T141 PolarHBondContact N-OG1 2.95Å; A115-T141 HydrophobicContact CB-CG2 3.77Å; T137-T141 PolarHBondContact O-N 3.28Å; T137-T141 PolarHBondContact O-OG1 3.25Å; S138-T141 PolarHBondContact O-N 2.98Å; T141-R143 VanDerWaalsContact C-N 3.3Å; T141-R143 PolarHBondContact O-N 2.9Å; T141-L144 PolarHBondContact O-N 2.9Å; T141-L144 VanDerWaalsContact O-N 3.15Å; T141-F145 HydrophobicContact CG2-CD2 3.64Å; T141-F145 HydrophobicContact CG2-CE1 4.4Å; T141-F145 HydrophobicContact CG2-CE2 3.34Å; T141-F145 HydrophobicContact CG2-CG 4.31Å; T141-F145 HydrophobicContact CG2-CZ 3.76Å; T141-F145 PolarHBondContact O-N 3.35Å
142	A	98.3	Very high	96.1	Very high	46 Å²	46	69.4 Å²	69.4	38%	0.38	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-42.2	177.7	0	0	0	0	0	112.2	Y109 S138 S139 H146	Y109-A142 PolarHBondContact OH-N 3.21Å; S138-A142 WeakPolarHBondContact O-CB 3.38Å; S138-A142 PolarHBondContact O-N 3.24Å; S139-A142 PolarHBondContact O-N 3.36Å; A142-H146 VanDerWaalsContact O-CB 3.28Å; A142-H146 WeakPolarHBondContact O-CB 3.27Å; A142-H146 PolarHBondContact O-N 2.89Å
143	R	98.4	Very high	96.5	Very high	183 Å²	183	72.8 Å²	72.8	69%	0.691	40%	0.403	S	S	*	.	H	α-helix	trans	-61.4	-47	174.8	-178.2	-178.3	-67.3	-177.9	-0.7	111.7	S139 A140 T141 H146 I147	S139-R143 WeakPolarHBondContact O-CB 3.39Å; S139-R143 PolarHBondContact O-N 3.06Å; A140-R143 PolarHBondContact O-N 3.01Å; T141-R143 VanDerWaalsContact C-N 3.3Å; T141-R143 PolarHBondContact O-N 2.9Å; R143-H146 PolarHBondContact O-N 2.69Å; R143-I147 HydrophobicContact CG-CD1 3.81Å; R143-I147 VanDerWaalsContact O-CG1 3.3Å; R143-I147 WeakPolarHBondContact O-CG1 3.37Å; R143-I147 PolarHBondContact O-N 3.04Å
144	L	98.6	Very high	96.9	Very high	62 Å²	62	73.1 Å²	73.1	33%	0.325	39%	0.389	S	S	.	.	H	α-helix	trans	-60.8	-49.5	178.9	-75.4	170.7	0	0	0	111.5	A115 I119 A140 T141 H146 I147 C148	A115-L144 HydrophobicContact CB-CD1 3.98Å; I119-L144 HydrophobicContact CD1-CB 3.78Å; A140-L144 WeakPolarHBondContact O-CG 3.24Å; A140-L144 PolarHBondContact O-N 2.89Å; T141-L144 PolarHBondContact O-N 2.9Å; T141-L144 VanDerWaalsContact O-N 3.15Å; L144-H146 VanDerWaalsContact C-N 3.35Å; L144-H146 PolarHBondContact O-N 2.83Å; L144-I147 PolarHBondContact O-N 2.91Å; L144-C148 WeakPolarHBondContact O-CB 3.28Å; L144-C148 PolarHBondContact O-N 3Å
145	F	98.6	Very high	97.2	Very high	6 Å²	6	70.9 Å²	70.9	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-63.1	-40.1	179.4	-72	-13.6	0	0	0	112.7	P110 A115 I118 I119 V126 T141 C148 N149 V150 C152	P110-F145 HydrophobicContact CB-CZ 4.46Å; P110-F145 HydrophobicContact CG-CE2 4.46Å; P110-F145 HydrophobicContact CG-CZ 4.33Å; A115-F145 HydrophobicContact CB-CD1 4.33Å; A115-F145 HydrophobicContact CB-CE1 3.64Å; A115-F145 HydrophobicContact CB-CZ 3.88Å; I118-F145 HydrophobicContact CB-CE1 4.23Å; I118-F145 HydrophobicContact CD1-CE1 4.36Å; I118-F145 HydrophobicContact CD1-CZ 3.83Å; I118-F145 HydrophobicContact CG2-CE1 3.9Å; I118-F145 HydrophobicContact CG2-CZ 4.23Å; I119-F145 HydrophobicContact CD1-CD1 4.14Å; I119-F145 HydrophobicContact CD1-CE1 4.48Å; I119-F145 HydrophobicContact CG1-CD1 4.29Å; I119-F145 HydrophobicContact CG1-CE1 4.43Å; V126-F145 HydrophobicContact CG2-CE2 4.28Å; V126-F145 HydrophobicContact CG2-CZ 4.08Å; T141-F145 HydrophobicContact CG2-CD2 3.64Å; T141-F145 HydrophobicContact CG2-CE1 4.4Å; T141-F145 HydrophobicContact CG2-CE2 3.34Å; T141-F145 HydrophobicContact CG2-CG 4.31Å; T141-F145 HydrophobicContact CG2-CZ 3.76Å; T141-F145 PolarHBondContact O-N 3.35Å; F145-C148 PolarHBondContact O-N 2.69Å; F145-N149 PolarHBondContact O-N 3.26Å; F145-V150 HydrophobicContact CB-CB 4.08Å; F145-V150 HydrophobicContact CD1-CB 3.75Å; F145-V150 HydrophobicContact CD1-CG1 3.77Å; F145-V150 HydrophobicContact CD1-CG2 4.25Å; F145-V150 HydrophobicContact CE1-CB 4.43Å; F145-V150 HydrophobicContact CE1-CG1 4Å; F145-V150 HydrophobicContact CG-CB 4.02Å; F145-V150 HydrophobicContact CG-CG1 4.06Å; F145-V150 HydrophobicContact CZ-CG1 4.47Å; F145-V150 PolarHBondContact O-N 3.32Å; F145-C152 HydrophobicContact CD2-CB 3.5Å; F145-C152 VanDerWaalsContact CD2-CB 3.5Å; F145-C152 HydrophobicContact CE2-CB 3.82Å
146	H	98.4	Very high	97.5	Very high	154 Å²	154	71.6 Å²	71.6	71%	0.713	38%	0.38	S	S	*	.	H	α-helix	trans	-60.3	-50.3	174.5	179.2	66.7	0	0	0	112	A142 R143 L144 C148 N149	A142-H146 VanDerWaalsContact O-CB 3.28Å; A142-H146 WeakPolarHBondContact O-CB 3.27Å; A142-H146 PolarHBondContact O-N 2.89Å; R143-H146 PolarHBondContact O-N 2.69Å; L144-H146 VanDerWaalsContact C-N 3.35Å; L144-H146 PolarHBondContact O-N 2.83Å; H146-C148 VanDerWaalsContact C-N 3.31Å; H146-C148 PolarHBondContact O-N 3.36Å; H146-N149 PolarHBondContact O-N 3.45Å
147	I	98.4	Very high	97.6	Very high	114 Å²	114	67.9 Å²	67.9	59%	0.585	37%	0.366	S	S	*	.	H	α-helix	trans	-64	-37.4	-179	-68.4	168.8	0	0	0	111.4	R143 L144	R143-I147 HydrophobicContact CG-CD1 3.81Å; R143-I147 VanDerWaalsContact O-CG1 3.3Å; R143-I147 WeakPolarHBondContact O-CG1 3.37Å; R143-I147 PolarHBondContact O-N 3.04Å; L144-I147 PolarHBondContact O-N 2.91Å
148	C	98.3	Very high	97.7	Very high	41 Å²	41	75 Å²	75	28%	0.277	40%	0.395	S	S	.	.	H	α-helix	trans	-94.9	6.2	-173.3	-64.1	0	0	0	0	114.5	I119 K124 L144 F145 H146 V150	I119-C148 HydrophobicContact CD1-CB 3.89Å; I119-C148 HydrophobicContact CG1-CB 3.94Å; I119-C148 HydrophobicContact CG2-CB 3.98Å; K124-C148 PolarHBondContact NZ-O 3.37Å; L144-C148 WeakPolarHBondContact O-CB 3.28Å; L144-C148 PolarHBondContact O-N 3Å; F145-C148 PolarHBondContact O-N 2.69Å; H146-C148 VanDerWaalsContact C-N 3.31Å; H146-C148 PolarHBondContact O-N 3.36Å; C148-V150 HydrophobicContact CB-CG2 4.41Å; C148-V150 PolarHBondContact O-N 3Å
149	N	98.2	Very high	97.7	Very high	132 Å²	132	76.2 Å²	76.2	71%	0.706	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	53.4	-177.6	-56.2	-71.2	0	0	0	112	F145 H146	F145-N149 PolarHBondContact O-N 3.26Å; H146-N149 PolarHBondContact O-N 3.45Å
150	V	98.6	Very high	97.5	Very high	11 Å²	11	78 Å²	78	7%	0.067	42%	0.42	C	S	.	.			trans	-105.8	122.1	169.6	177	0	0	0	0	107	I118 I119 K124 V126 F145 C148	I118-V150 HydrophobicContact CG2-CG1 4.16Å; I119-V150 HydrophobicContact CG1-CG2 3.95Å; K124-V150 CarbonylContact O-C 3.48Å; K124-V150 WeakPolarHBondContact O-CA 3.48Å; V126-V150 HydrophobicContact CG2-CG1 4.02Å; F145-V150 HydrophobicContact CB-CB 4.08Å; F145-V150 HydrophobicContact CD1-CB 3.75Å; F145-V150 HydrophobicContact CD1-CG1 3.77Å; F145-V150 HydrophobicContact CD1-CG2 4.25Å; F145-V150 HydrophobicContact CE1-CB 4.43Å; F145-V150 HydrophobicContact CE1-CG1 4Å; F145-V150 HydrophobicContact CG-CB 4.02Å; F145-V150 HydrophobicContact CG-CG1 4.06Å; F145-V150 HydrophobicContact CZ-CG1 4.47Å; F145-V150 PolarHBondContact O-N 3.32Å; C148-V150 HydrophobicContact CB-CG2 4.41Å; C148-V150 PolarHBondContact O-N 3Å
151	S	98.4	Very high	97.3	Very high	47 Å²	47	80.3 Å²	80.3	33%	0.329	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.9	172.2	64.6	0	0	0	0	109.3	K124 E125 V126	K124-S151 PolarHBondContact O-N 3.15Å; K124-S151 PolarHBondContact O-OG 3.03Å; E125-S151 CarbonylContact C-O 3.6Å; E125-S151 WeakPolarHBondContact CA-O 3.4Å; E125-S151 WeakPolarHBondContact CA-OG 3.38Å; E125-S151 WeakPolarHBondContact CB-OG 3.47Å; E125-S151 WeakPolarHBondContact CG-OG 3.34Å; V126-S151 PolarHBondContact N-O 2.76Å
152	C	98.5	Very high	97.2	Very high	36 Å²	36	83.2 Å²	83.2	24%	0.243	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	116	176.4	-173.5	0	0	0	0	108.6	Y109 V126 F145	Y109-C152 WeakPolarHBondContact CE2-SG 3.25Å; V126-C152 HydrophobicContact CB-CB 4.22Å; V126-C152 CarbonylContact O-C 3.49Å; V126-C152 VanDerWaalsContact O-CA 3.31Å; V126-C152 WeakPolarHBondContact O-CA 3.18Å; F145-C152 HydrophobicContact CD2-CB 3.5Å; F145-C152 VanDerWaalsContact CD2-CB 3.5Å; F145-C152 HydrophobicContact CE2-CB 3.82Å
153	E	98	Very high	97	Very high	108 Å²	108	86.8 Å²	86.8	51%	0.505	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.2	-172.3	-65.6	178.4	-171.8	0	0	110.6	V126 Y127 Y128 Y155	V126-E153 PolarHBondContact O-N 3.33Å; Y127-E153 VanDerWaalsContact CA-O 3.3Å; Y127-E153 WeakPolarHBondContact CA-O 3.31Å; Y127-E153 HydrophobicContact CD1-CB 4.35Å; Y127-E153 HydrophobicContact CE1-CB 4.38Å; Y128-E153 VanDerWaalsContact CD1-O 3.22Å; Y128-E153 WeakPolarHBondContact CD1-O 3.45Å; Y128-E153 PolarHBondContact N-O 2.95Å; E153-Y155 PolarHBondContact O-N 3.33Å
154	R	98.4	Very high	96.7	Very high	129 Å²	129	83 Å²	83	49%	0.487	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.7	170.7	178.8	175.7	-79.3	175.5	-9.6	108.9	Y128 D131	Y128-R154 HydrophobicContact CE1-CB 3.95Å; Y128-R154 HydrophobicContact CE2-CB 4.32Å; Y128-R154 CarbonylContact O-C 3.52Å; Y128-R154 WeakPolarHBondContact O-CA 3.25Å; D131-R154 IonicContact OD1-CZ 3.75Å; D131-R154 IonicContact OD1-NH2 2.58Å; D131-R154 PolarHBondContact OD1-NH2 3.23Å; D131-R154 IonicContact OD2-CZ 2.81Å; D131-R154 IonicContact OD2-NH2 3.66Å; D131-R154 PolarHBondContact OD2-NH2 2.82Å
155	Y	98.2	Very high	96.4	Very high	21 Å²	21	86 Å²	86	8%	0.082	48%	0.478	C	S	.	.			trans	-59.7	136.8	173	163.6	-95.9	0	0	0	111	N17 D18 M21 Y128 L129 E153 S157	N17-Y155 HydrophobicContact CB-CD2 4.44Å; N17-Y155 HydrophobicContact CB-CE2 4.12Å; N17-Y155 WeakPolarHBondContact O-CE2 3.48Å; D18-Y155 VanDerWaalsContact CA-OH 3.3Å; D18-Y155 WeakPolarHBondContact CA-OH 3.34Å; D18-Y155 PolarHBondContact OD1-OH 3.41Å; M21-Y155 HydrophobicContact CB-CD1 4.28Å; M21-Y155 HydrophobicContact CB-CD2 3.94Å; M21-Y155 HydrophobicContact CB-CE1 4.08Å; M21-Y155 HydrophobicContact CB-CE2 3.73Å; M21-Y155 HydrophobicContact CB-CG 4.19Å; M21-Y155 HydrophobicContact CE-CD1 4.26Å; M21-Y155 HydrophobicContact CE-CD2 4.37Å; M21-Y155 HydrophobicContact CE-CG 3.81Å; M21-Y155 HydrophobicContact CG-CD1 3.74Å; M21-Y155 HydrophobicContact CG-CD2 4.24Å; M21-Y155 HydrophobicContact CG-CE1 3.77Å; M21-Y155 HydrophobicContact CG-CE2 4.27Å; M21-Y155 HydrophobicContact CG-CG 3.96Å; Y128-Y155 WeakPolarHBondContact O-CB 3.22Å; Y128-Y155 PolarHBondContact O-N 3.48Å; L129-Y155 HydrophobicContact CD1-CD1 3.92Å; L129-Y155 HydrophobicContact CD1-CE1 4.48Å; E153-Y155 PolarHBondContact O-N 3.33Å; Y155-S157 WeakPolarHBondContact OH-CA 3.46Å; Y155-S157 WeakPolarHBondContact OH-CB 3.32Å; Y155-S157 PolarHBondContact OH-OG 3.27Å; Y155-S157 VanDerWaalsContact OH-OG 3.07Å
156	T	96.5	Very high	96	Very high	119 Å²	119	93.2 Å²	93.2	73%	0.73	52%	0.516	S	S	*	.			trans	-121.8	121.7	173.8	-58.1	0	0	0	0	109.1
157	S	95.1	Very high	95.6	Very high	54 Å²	54	88.2 Å²	88.2	38%	0.378	51%	0.506	S	S	.	.			trans	-78.9	143.4	-177.9	-162.5	0	0	0	0	112.1	D18 Y155 V159	D18-S157 WeakPolarHBondContact OD1-CA 3.4Å; D18-S157 PolarHBondContact OD1-OG 3.42Å; Y155-S157 WeakPolarHBondContact OH-CA 3.46Å; Y155-S157 WeakPolarHBondContact OH-CB 3.32Å; Y155-S157 PolarHBondContact OH-OG 3.27Å; Y155-S157 VanDerWaalsContact OH-OG 3.07Å; S157-V159 WeakPolarHBondContact CB-O 3.45Å; S157-V159 PolarHBondContact OG-N 3.34Å; S157-V159 PolarHBondContact OG-O 3.41Å
158	K	94.7	Very high	94.7	Very high	175 Å²	175	89 Å²	89	76%	0.761	52%	0.516	S	S	*	.	S	Bend	trans	-91.3	-13.6	168.5	-63.4	-175.2	177.7	-178.2	0	113.3	D18	D18-K158 PolarHBondContact OD1-N 2.87Å
159	V	94.4	Very high	93.5	Very high	50 Å²	50	96 Å²	96	30%	0.303	54%	0.542	S	S	.	.	S	Bend	trans	-120	152.3	178.8	-62	0	0	0	0	110.2	L14 D18 S157 V162	L14-V159 HydrophobicContact CD2-CG1 4.47Å; L14-V159 HydrophobicContact CD2-CG2 4.06Å; D18-V159 HydrophobicContact CB-CG2 4.29Å; S157-V159 WeakPolarHBondContact CB-O 3.45Å; S157-V159 PolarHBondContact OG-N 3.34Å; S157-V159 PolarHBondContact OG-O 3.41Å; V159-V162 HydrophobicContact CG2-CG2 4.05Å
160	A	92.7	Very high	92.1	Very high	113 Å²	113	98.4 Å²	98.4	93%	0.934	55%	0.549	S	S	*	.	S	Bend	trans	-70.9	-38.7	179.8	0	0	0	0	0	112.3
161	S	94.9	Very high	90.5	Very high	86 Å²	86	107.3 Å²	107.3	60%	0.601	59%	0.587	S	S	*	*			trans	-158.1	161.3	179.8	60.6	0	0	0	0	111.4
162	V	95.3	Very high	88.5	Confident	60 Å²	60	110.1 Å²	110.1	36%	0.364	61%	0.606	S	S	.	*			trans	-122.9	121.2	167.8	-178.9	0	0	0	0	107.2	L14 S22 V159	L14-V162 HydrophobicContact CD1-CG1 4.01Å; L14-V162 HydrophobicContact CD1-CG2 4.07Å; L14-V162 HydrophobicContact CD2-CG2 3.56Å; L14-V162 HydrophobicContact CG-CG2 4.48Å; S22-V162 WeakPolarHBondContact OG-CG2 3.42Å; V159-V162 HydrophobicContact CG2-CG2 4.05Å
163	T	94.4	Very high	86.4	Confident	122 Å²	122	116.8 Å²	116.8	75%	0.748	63%	0.633	S	S	*	*			trans	-107.9	130.2	179.9	-57.4	0	0	0	0	109.6
164	I	92.7	Very high	84.1	Confident	102 Å²	102	120.2 Å²	120.2	52%	0.523	65%	0.649	S	S	.	*			trans	-111.3	102.2	173.6	-57.9	176.2	0	0	0	107	L26 L166	L26-I164 HydrophobicContact CD1-CD1 4.09Å; L26-I164 HydrophobicContact CD2-CD1 3.76Å; L26-I164 HydrophobicContact CG-CD1 4.41Å; I164-L166 HydrophobicContact CG2-CD2 4.1Å
165	D	91.4	Very high	81.9	Confident	126 Å²	126	123.1 Å²	123.1	67%	0.674	67%	0.666	S	S	*	*			trans	-88.1	121.3	174	-173	-1.8	0	0	0	109.3	G167	D165-G167 VanDerWaalsContact C-N 3.32Å; D165-G167 PolarHBondContact OD1-N 2.91Å
166	L	89.6	Confident	79.6	Confident	157 Å²	157	131.2 Å²	131.2	82%	0.822	70%	0.704	S	S	*	*			trans	-88.1	-2.5	177.3	-59.2	-179.7	0	0	0	112.6	I164 V168	I164-L166 HydrophobicContact CG2-CD2 4.1Å; L166-V168 PolarHBondContact O-N 2.6Å
167	G	90	Very high	77.4	Confident	49 Å²	49	133.8 Å²	133.8	51%	0.505	74%	0.738	S	S	.	*			trans	-64.5	116.6	177.6	0	0	0	0	0	111.6	D165 K169	D165-G167 VanDerWaalsContact C-N 3.32Å; D165-G167 PolarHBondContact OD1-N 2.91Å; G167-K169 PolarHBondContact O-N 3.26Å
168	V	80.7	Confident	76.5	Confident	132 Å²	132	137.8 Å²	137.8	80%	0.8	76%	0.756	S	S	*	*			trans	-73.2	110.6	169.2	-177.7	0	0	0	0	107.6	L166 E170	L166-V168 PolarHBondContact O-N 2.6Å; V168-E170 PolarHBondContact O-N 3.33Å
169	K	72.3	Confident	75.5	Confident	188 Å²	188	135.8 Å²	135.8	82%	0.817	76%	0.755	S	S	*	*			trans	-75	112.3	165.3	-68.4	-174.8	-178.5	179.9	0	107.6	G167 K171	G167-K169 PolarHBondContact O-N 3.26Å; K169-K171 PolarHBondContact O-N 3.06Å
170	E	69.1	Low	74.5	Confident	181 Å²	181	140.6 Å²	140.6	85%	0.846	78%	0.781	S	S	*	*			trans	-54.7	132	170	-70.4	-178.9	166.4	0	0	108.8	V168 S172	V168-E170 PolarHBondContact O-N 3.33Å; E170-S172 PolarHBondContact O-N 3.41Å
171	K	65.1	Low	73.4	Confident	199 Å²	199	142.2 Å²	142.2	87%	0.865	77%	0.772	S	S	*	*			trans	-60.5	115.6	170.8	-77.3	-175.6	176.4	-176.5	0	106.4	K169 E173	K169-K171 PolarHBondContact O-N 3.06Å; K171-E173 PolarHBondContact O-N 3Å
172	S	57.3	Low	72.1	Confident	105 Å²	105	145.8 Å²	145.8	73%	0.734	78%	0.782	S	S	*	*			trans	-51.9	115.5	167.1	49.1	0	0	0	0	107.6	E170 E174	E170-S172 PolarHBondContact O-N 3.41Å; S172-E174 PolarHBondContact O-N 3.02Å
173	E	53.7	Low	70.5	Confident	176 Å²	176	151.5 Å²	151.5	82%	0.822	81%	0.81	S	S	*	*			trans	-55.2	104.9	172.2	-66.5	178.3	164.3	0	0	107.4	K171 K175	K171-E173 PolarHBondContact O-N 3Å; E173-K175 VanDerWaalsContact C-N 3.27Å; E173-K175 PolarHBondContact O-N 2.85Å
174	E	50.6	Low	68.8	Low	180 Å²	180	153.6 Å²	153.6	84%	0.841	82%	0.815	S	S	*	*			trans	-61.6	99.4	163.5	-76.9	176.6	164.4	0	0	105.5	S172 E176	S172-E174 PolarHBondContact O-N 3.02Å; E174-E176 VanDerWaalsContact C-N 3.27Å; E174-E176 PolarHBondContact O-N 3.2Å
175	K	50.2	Low	67	Low	190 Å²	190	157.5 Å²	157.5	83%	0.826	84%	0.837	S	S	*	*			trans	-62.5	97.7	166.5	-73.4	-175.5	176.4	-178.4	0	106.5	E173 A177	E173-K175 VanDerWaalsContact C-N 3.27Å; E173-K175 PolarHBondContact O-N 2.85Å; K175-A177 PolarHBondContact O-N 3.15Å
176	E	50.8	Low	64.9	Low	192 Å²	192	160.2 Å²	160.2	90%	0.897	85%	0.851	S	S	*	*			trans	-53.4	128.5	162.2	-78.4	180	148.3	0	0	108.1	E174	E174-E176 VanDerWaalsContact C-N 3.27Å; E174-E176 PolarHBondContact O-N 3.2Å
177	A	49.9	Very low	62.7	Low	173 Å²	173	160.5 Å²	160.5	100%	1.43	85%	0.853	S	S	*	*			trans	-69.2	0	-177	0	0	0	0	0	112.9	K175	K175-A177 PolarHBondContact O-N 3.15Å

Retrieved 177 of 177 residues in 502.7 ms (Link to these results)

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