A0A3Q0KLA7_SCHMA Loading...

MEG-13

AlphaFold DB , UniProt , Accession A0A3Q0KLA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 130 aa.

						>A0A3Q0KLA7_SCHMA|A0A3Q0KLA7
MDITYSWCIICLINLLLNGKLGQAQEDNYTEDSTTDPTTFDNTTVTSTTTEFNNTTVTSTTTEFNNTTVTSTTTEFTNKPKVENSTTDGTTYTTTPSHFSTSTSTNDATNSKFQRIFYMIVGLISLMAIN
					

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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	53.6	Low	71	Confident	234 Å²	234	120.6 Å²	120.6	100%	1.153	62%	0.619	S	S	*	*				0	107.1	0	-134.2	177	-164.7	0	0	105.6
2	D	66.3	Low	70.9	Confident	130 Å²	130	116.8 Å²	116.8	70%	0.695	60%	0.6	S	S	*	*			trans	-61	138.3	-169.2	-81.2	-61.8	0	0	0	112.3	T4 Y5	D2-T4 PolarHBondContact O-N 3.01Å; D2-Y5 PolarHBondContact O-N 3.49Å
3	I	71.6	Confident	71.3	Confident	151 Å²	151	114.3 Å²	114.3	77%	0.774	59%	0.587	S	S	*	*	H	α-helix	trans	-53.4	-28	179.8	-138.1	160.2	0	0	0	111.6	Y5 S6 W7	I3-Y5 PolarHBondContact O-N 3.06Å; I3-S6 WeakPolarHBondContact O-CB 3.49Å; I3-S6 PolarHBondContact O-N 3.31Å; I3-W7 PolarHBondContact O-N 3.49Å
4	T	70.9	Confident	71	Confident	95 Å²	95	112 Å²	112	58%	0.583	58%	0.576	S	S	*	*	H	α-helix	trans	-59.4	-43.3	174.9	-43.8	0	0	0	0	112.5	D2 S6 W7 C8	D2-T4 PolarHBondContact O-N 3.01Å; T4-S6 VanDerWaalsContact C-N 3.35Å; T4-W7 PolarHBondContact O-N 3.12Å; T4-C8 PolarHBondContact O-N 3.4Å; T4-C8 VanDerWaalsContact O-N 3.12Å; T4-C8 PolarHBondContact O-SG 3.37Å
5	Y	72.2	Confident	70.6	Confident	142 Å²	142	111.3 Å²	111.3	56%	0.557	57%	0.573	S	S	*	*	H	α-helix	trans	-70	-36.9	-179.9	-137.2	-84.8	0	0	0	111.1	D2 I3 C8 I9	D2-Y5 PolarHBondContact O-N 3.49Å; I3-Y5 PolarHBondContact O-N 3.06Å; Y5-C8 PolarHBondContact O-N 3.06Å; Y5-I9 HydrophobicContact CD1-CG1 4.19Å; Y5-I9 HydrophobicContact CE1-CD1 4.44Å; Y5-I9 WeakPolarHBondContact O-CG1 3.47Å; Y5-I9 PolarHBondContact O-N 3.09Å; Y5-I9 VanDerWaalsContact O-N 3.09Å
6	S	75.9	Confident	69.9	Low	67 Å²	67	111.4 Å²	111.4	47%	0.469	57%	0.574	S	S	.	*	H	α-helix	trans	-62	-43.9	175.5	-176.3	0	0	0	0	111.5	I3 T4 C8 I9 I10	I3-S6 WeakPolarHBondContact O-CB 3.49Å; I3-S6 PolarHBondContact O-N 3.31Å; T4-S6 VanDerWaalsContact C-N 3.35Å; S6-C8 PolarHBondContact O-N 3.36Å; S6-I9 PolarHBondContact O-N 2.9Å; S6-I10 WeakPolarHBondContact O-CD1 3.48Å; S6-I10 WeakPolarHBondContact O-CG1 3.25Å; S6-I10 PolarHBondContact O-N 3.31Å
7	W	73.4	Confident	69	Low	195 Å²	195	110.2 Å²	110.2	74%	0.739	57%	0.569	S	S	*	*	H	α-helix	trans	-62.2	-43.5	176.4	-164.1	-74.2	0	0	0	112.2	I3 T4 I9 I10 C11	I3-W7 PolarHBondContact O-N 3.49Å; T4-W7 PolarHBondContact O-N 3.12Å; W7-I9 PolarHBondContact O-N 3.33Å; W7-I10 PolarHBondContact O-N 3.44Å; W7-C11 VanDerWaalsContact CD1-SG 3.57Å; W7-C11 PolarHBondContact O-N 2.92Å
8	C	71.7	Confident	68	Low	75 Å²	75	110.3 Å²	110.3	51%	0.507	57%	0.57	S	S	.	*	H	α-helix	trans	-59.9	-44.1	177.5	-70.3	0	0	0	0	112.5	T4 Y5 S6 C11 L12	T4-C8 PolarHBondContact O-N 3.4Å; T4-C8 VanDerWaalsContact O-N 3.12Å; T4-C8 PolarHBondContact O-SG 3.37Å; Y5-C8 PolarHBondContact O-N 3.06Å; S6-C8 PolarHBondContact O-N 3.36Å; C8-C11 PolarHBondContact O-N 3.49Å; C8-L12 WeakPolarHBondContact O-CB 3.33Å; C8-L12 PolarHBondContact O-N 3.47Å
9	I	76.8	Confident	66.7	Low	82 Å²	82	106.8 Å²	106.8	42%	0.421	56%	0.564	S	S	.	*	H	α-helix	trans	-66	-42.5	179	-65	-64.4	0	0	0	111	Y5 S6 W7 C11 L12 I13	Y5-I9 HydrophobicContact CD1-CG1 4.19Å; Y5-I9 HydrophobicContact CE1-CD1 4.44Å; Y5-I9 WeakPolarHBondContact O-CG1 3.47Å; Y5-I9 PolarHBondContact O-N 3.09Å; Y5-I9 VanDerWaalsContact O-N 3.09Å; S6-I9 PolarHBondContact O-N 2.9Å; W7-I9 PolarHBondContact O-N 3.33Å; I9-C11 VanDerWaalsContact C-N 3.34Å; I9-C11 PolarHBondContact O-N 2.92Å; I9-L12 PolarHBondContact O-N 3.47Å; I9-I13 HydrophobicContact CG2-CD1 3.68Å; I9-I13 HydrophobicContact CG2-CG1 4.35Å; I9-I13 WeakPolarHBondContact O-CB 3.35Å; I9-I13 VanDerWaalsContact O-CG1 3.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.44Å; I9-I13 PolarHBondContact O-N 3.23Å
10	I	78.1	Confident	65.4	Low	90 Å²	90	110.3 Å²	110.3	46%	0.462	58%	0.575	S	S	.	*	H	α-helix	trans	-62.4	-41.8	176	-68.2	163	0	0	0	110.8	S6 W7 I13 N14	S6-I10 WeakPolarHBondContact O-CD1 3.48Å; S6-I10 WeakPolarHBondContact O-CG1 3.25Å; S6-I10 PolarHBondContact O-N 3.31Å; W7-I10 PolarHBondContact O-N 3.44Å; I10-I13 PolarHBondContact O-N 3Å; I10-N14 WeakPolarHBondContact CG2-ND2 3.45Å; I10-N14 WeakPolarHBondContact O-CB 3.37Å; I10-N14 PolarHBondContact O-N 3.43Å; I10-N14 PolarHBondContact O-ND2 2.85Å
11	C	70.9	Confident	64	Low	66 Å²	66	111.1 Å²	111.1	45%	0.446	58%	0.579	S	S	.	*	H	α-helix	trans	-62	-43.4	174.3	-79.4	0	0	0	0	112.1	W7 C8 I9 N14 L15	W7-C11 VanDerWaalsContact CD1-SG 3.57Å; W7-C11 PolarHBondContact O-N 2.92Å; C8-C11 PolarHBondContact O-N 3.49Å; I9-C11 VanDerWaalsContact C-N 3.34Å; I9-C11 PolarHBondContact O-N 2.92Å; C11-N14 PolarHBondContact O-N 3.44Å; C11-L15 WeakPolarHBondContact O-CB 3.46Å; C11-L15 PolarHBondContact O-N 3.24Å
12	L	69.1	Low	63.2	Low	75 Å²	75	103.1 Å²	103.1	39%	0.393	56%	0.556	S	S	.	*	H	α-helix	trans	-63.8	-43.3	179.4	-149.2	94.7	0	0	0	111.6	C8 I9 L15 L16	C8-L12 WeakPolarHBondContact O-CB 3.33Å; C8-L12 PolarHBondContact O-N 3.47Å; I9-L12 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 2.95Å; L12-L16 HydrophobicContact CD2-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 3.35Å
13	I	76	Confident	61.8	Low	84 Å²	84	101.6 Å²	101.6	43%	0.431	55%	0.545	S	S	.	.	H	α-helix	trans	-62.6	-48.3	176.8	-70.8	169.3	0	0	0	110.1	I9 I10 L15 L16 L17	I9-I13 HydrophobicContact CG2-CD1 3.68Å; I9-I13 HydrophobicContact CG2-CG1 4.35Å; I9-I13 WeakPolarHBondContact O-CB 3.35Å; I9-I13 VanDerWaalsContact O-CG1 3.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.44Å; I9-I13 PolarHBondContact O-N 3.23Å; I10-I13 PolarHBondContact O-N 3Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 PolarHBondContact O-N 3.39Å; I13-L16 PolarHBondContact O-N 2.96Å; I13-L17 HydrophobicContact CB-CD1 4.47Å; I13-L17 HydrophobicContact CG2-CD1 3.31Å; I13-L17 WeakPolarHBondContact O-CD1 3.39Å; I13-L17 PolarHBondContact O-N 2.94Å
14	N	67.4	Low	60.1	Low	82 Å²	82	99.1 Å²	99.1	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-60.4	-39.5	176.9	-80.6	-64.9	0	0	0	112.3	I10 C11 L17 N18	I10-N14 WeakPolarHBondContact CG2-ND2 3.45Å; I10-N14 WeakPolarHBondContact O-CB 3.37Å; I10-N14 PolarHBondContact O-N 3.43Å; I10-N14 PolarHBondContact O-ND2 2.85Å; C11-N14 PolarHBondContact O-N 3.44Å; N14-L17 PolarHBondContact O-N 3.01Å; N14-N18 WeakPolarHBondContact O-CB 3.12Å; N14-N18 PolarHBondContact O-N 2.76Å; N14-N18 PolarHBondContact O-ND2 3.5Å
15	L	65.1	Low	58.6	Low	101 Å²	101	101 Å²	101	53%	0.529	55%	0.549	S	S	.	.	H	α-helix	trans	-63.7	-42.8	176.2	-164.7	77.1	0	0	0	111.6	C11 L12 I13 G19	C11-L15 WeakPolarHBondContact O-CB 3.46Å; C11-L15 PolarHBondContact O-N 3.24Å; L12-L15 PolarHBondContact O-N 2.95Å; I13-L15 VanDerWaalsContact C-N 3.3Å; I13-L15 PolarHBondContact O-N 3.39Å; L15-G19 PolarHBondContact O-N 2.85Å
16	L	59.4	Low	57.1	Low	113 Å²	113	102 Å²	102	59%	0.592	56%	0.559	S	S	*	*	H	α-helix	trans	-66.7	-42.9	177.3	-76.9	161.8	0	0	0	112.2	L12 I13 K20	L12-L16 HydrophobicContact CD2-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 3.35Å; I13-L16 PolarHBondContact O-N 2.96Å; L16-K20 VanDerWaalsContact O-CB 3.26Å; L16-K20 WeakPolarHBondContact O-CB 3.42Å; L16-K20 PolarHBondContact O-N 3.47Å; L16-K20 VanDerWaalsContact O-N 3.11Å
17	L	54.5	Low	55.4	Low	92 Å²	92	101.7 Å²	101.7	48%	0.482	55%	0.552	S	S	.	*	H	α-helix	trans	-67	-48.1	176.6	-88	101.4	0	0	0	111.1	I13 N14 G19 K20 L21	I13-L17 HydrophobicContact CB-CD1 4.47Å; I13-L17 HydrophobicContact CG2-CD1 3.31Å; I13-L17 WeakPolarHBondContact O-CD1 3.39Å; I13-L17 PolarHBondContact O-N 2.94Å; N14-L17 PolarHBondContact O-N 3.01Å; L17-G19 VanDerWaalsContact C-N 3.3Å; L17-G19 PolarHBondContact O-N 3.32Å; L17-K20 PolarHBondContact O-N 3.47Å; L17-K20 VanDerWaalsContact O-N 3.11Å; L17-L21 HydrophobicContact CB-CD1 4.14Å; L17-L21 HydrophobicContact CD2-CD1 4.41Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 WeakPolarHBondContact O-CD1 3.2Å; L17-L21 WeakPolarHBondContact O-CG 3.4Å; L17-L21 PolarHBondContact O-N 2.83Å
18	N	51.7	Low	53.9	Low	111 Å²	111	97.9 Å²	97.9	59%	0.594	55%	0.546	S	S	*	.	H	α-helix	trans	-65.5	-34.4	-180	-68.6	-33.3	0	0	0	112.1	N14 K20	N14-N18 WeakPolarHBondContact O-CB 3.12Å; N14-N18 PolarHBondContact O-N 2.76Å; N14-N18 PolarHBondContact O-ND2 3.5Å; N18-K20 VanDerWaalsContact C-N 3.31Å
19	G	43.4	Very low	52.5	Low	45 Å²	45	99.7 Å²	99.7	46%	0.464	54%	0.543	S	S	.	.	H	α-helix	trans	-69.4	-27.2	173.8	0	0	0	0	0	113.7	L15 L17	L15-G19 PolarHBondContact O-N 2.85Å; L17-G19 VanDerWaalsContact C-N 3.3Å; L17-G19 PolarHBondContact O-N 3.32Å
20	K	41.1	Very low	50.7	Low	176 Å²	176	100.7 Å²	100.7	77%	0.765	55%	0.553	S	S	*	*	H	α-helix	trans	-95.5	-26.9	-178	-156.1	173.6	-175.8	-176.8	0	113.5	L16 L17 N18 G22	L16-K20 VanDerWaalsContact O-CB 3.26Å; L16-K20 WeakPolarHBondContact O-CB 3.42Å; L16-K20 PolarHBondContact O-N 3.47Å; L16-K20 VanDerWaalsContact O-N 3.11Å; L17-K20 PolarHBondContact O-N 3.47Å; L17-K20 VanDerWaalsContact O-N 3.11Å; N18-K20 VanDerWaalsContact C-N 3.31Å; K20-G22 VanDerWaalsContact C-N 3.25Å; K20-G22 PolarHBondContact O-N 3.48Å
21	L	35.7	Very low	49	Very low	128 Å²	128	102 Å²	102	67%	0.67	56%	0.558	S	S	*	*	H	α-helix	trans	-72.7	-13	178.5	-84.6	154.8	0	0	0	113.7	L17 Q23	L17-L21 HydrophobicContact CB-CD1 4.14Å; L17-L21 HydrophobicContact CD2-CD1 4.41Å; L17-L21 VanDerWaalsContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 WeakPolarHBondContact O-CD1 3.2Å; L17-L21 WeakPolarHBondContact O-CG 3.4Å; L17-L21 PolarHBondContact O-N 2.83Å; L21-Q23 VanDerWaalsContact C-N 3.25Å; L21-Q23 PolarHBondContact O-N 2.99Å
22	G	35.6	Very low	47.5	Very low	65 Å²	65	104.2 Å²	104.2	67%	0.67	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	6.8	178.8	0	0	0	0	0	115.9	K20	K20-G22 VanDerWaalsContact C-N 3.25Å; K20-G22 PolarHBondContact O-N 3.48Å
23	Q	37	Very low	46.1	Very low	98 Å²	98	102.2 Å²	102.2	46%	0.458	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-134.1	31.1	-164.4	-69.2	-169.1	66.3	0	0	115.4	L21 T48	L21-Q23 VanDerWaalsContact C-N 3.25Å; L21-Q23 PolarHBondContact O-N 2.99Å; Q23-T48 HydrophobicContact CB-CG2 4Å
24	A	36.3	Very low	44.2	Very low	99 Å²	99	103.1 Å²	103.1	82%	0.818	57%	0.567	S	S	*	*			trans	-133.6	58.5	174.4	0	0	0	0	0	111.2
25	Q	39.4	Very low	42.7	Very low	135 Å²	135	104.3 Å²	104.3	63%	0.631	58%	0.577	S	S	*	*			trans	-115.2	98.6	155.5	-157.8	176	-66.5	0	0	106.6	D27	Q25-D27 WeakPolarHBondContact CG-OD1 3.38Å; Q25-D27 PolarHBondContact NE2-OD1 3.18Å; Q25-D27 PolarHBondContact NE2-OD2 2.97Å; Q25-D27 PolarHBondContact O-N 3.36Å
26	E	39.7	Very low	41.3	Very low	164 Å²	164	106.7 Å²	106.7	77%	0.766	59%	0.59	S	S	*	*			trans	-75.1	85.3	171.3	-170.4	174.6	-169.8	0	0	106.7	N28	E26-N28 VanDerWaalsContact C-N 3.31Å; E26-N28 PolarHBondContact O-N 3.34Å
27	D	42.2	Very low	40.6	Very low	59 Å²	59	105.1 Å²	105.1	32%	0.316	59%	0.587	S	S	.	*			trans	-74.8	89.7	176.4	-70.5	-36.1	0	0	0	109.1	Q25 Y29	Q25-D27 WeakPolarHBondContact CG-OD1 3.38Å; Q25-D27 PolarHBondContact NE2-OD1 3.18Å; Q25-D27 PolarHBondContact NE2-OD2 2.97Å; Q25-D27 PolarHBondContact O-N 3.36Å; D27-Y29 HydrophobicContact CB-CD2 3.87Å; D27-Y29 HydrophobicContact CB-CE2 3.33Å; D27-Y29 PolarHBondContact O-N 3.49Å; D27-Y29 VanDerWaalsContact O-N 3.15Å
28	N	40.6	Very low	40.1	Very low	115 Å²	115	101.9 Å²	101.9	62%	0.615	57%	0.571	S	S	*	*			trans	-82.5	88.3	175.5	-145.4	-23.1	0	0	0	108.7	E26 T30	E26-N28 VanDerWaalsContact C-N 3.31Å; E26-N28 PolarHBondContact O-N 3.34Å; N28-T30 PolarHBondContact O-N 2.98Å
29	Y	42.2	Very low	39.8	Very low	113 Å²	113	100.5 Å²	100.5	44%	0.443	57%	0.566	S	S	.	*			trans	-81.7	101.6	176.6	-67.4	-76.3	0	0	0	109.8	D27 F52	D27-Y29 HydrophobicContact CB-CD2 3.87Å; D27-Y29 HydrophobicContact CB-CE2 3.33Å; D27-Y29 PolarHBondContact O-N 3.49Å; D27-Y29 VanDerWaalsContact O-N 3.15Å; Y29-F52 HydrophobicContact CD2-CE1 4.38Å
30	T	39.4	Very low	40	Very low	104 Å²	104	99.4 Å²	99.4	64%	0.638	55%	0.549	S	S	*	.			trans	-102.1	102.7	163.6	-55.7	0	0	0	0	107.7	N28	N28-T30 PolarHBondContact O-N 2.98Å
31	E	42.2	Very low	40.1	Very low	118 Å²	118	95.6 Å²	95.6	55%	0.551	54%	0.537	S	S	*	.			trans	-99.5	107.2	171.9	-166.7	173.6	171.8	0	0	109	S33	E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 3.2Å; E31-S33 VanDerWaalsContact O-N 3.09Å
32	D	40.4	Very low	40.5	Very low	112 Å²	112	90.4 Å²	90.4	60%	0.599	51%	0.51	S	S	*	.			trans	-79.8	84.5	173.4	-171.9	26.4	0	0	0	108.5	T34	D32-T34 PolarHBondContact O-N 3.39Å
33	S	39.6	Very low	40.9	Very low	32 Å²	32	92.5 Å²	92.5	22%	0.224	51%	0.51	C	S	.	.			trans	-99.3	89.3	-171.3	-138	0	0	0	0	108	E31 T35 T38	E31-S33 VanDerWaalsContact C-N 3.32Å; E31-S33 PolarHBondContact O-N 3.2Å; E31-S33 VanDerWaalsContact O-N 3.09Å; S33-T35 VanDerWaalsContact C-N 3.33Å; S33-T35 PolarHBondContact O-N 3.03Å; S33-T38 VanDerWaalsContact OG-CG2 3.22Å; S33-T38 WeakPolarHBondContact OG-CG2 3.49Å
34	T	36.5	Very low	41.1	Very low	104 Å²	104	92.1 Å²	92.1	64%	0.638	51%	0.514	S	S	*	.			trans	-89.3	18.9	-173.6	56.7	0	0	0	0	114.6	D32	D32-T34 PolarHBondContact O-N 3.39Å
35	T	34.5	Very low	41.5	Very low	106 Å²	106	87.7 Å²	87.7	65%	0.65	48%	0.477	S	S	*	.	S	Bend	trans	-140	111.2	-179.3	47.3	0	0	0	0	110.2	S33 T38	S33-T35 VanDerWaalsContact C-N 3.33Å; S33-T35 PolarHBondContact O-N 3.03Å; T35-T38 WeakPolarHBondContact O-CG2 3.31Å
36	D	36.5	Very low	41.5	Very low	152 Å²	152	85.7 Å²	85.7	81%	0.813	47%	0.474	S	S	*	.	S	Bend	trans	41.7	139.3	156.1	-105.5	-29	0	0	0	119.3	T38	D36-T38 PolarHBondContact O-N 2.91Å; D36-T38 VanDerWaalsContact O-N 3.14Å
37	P	43.8	Very low	41.6	Very low	80 Å²	80	78.6 Å²	78.6	52%	0.519	44%	0.443	S	S	.	.			trans	-28.3	97.6	-142	24.4	-36.8	0	0	0	114.4	T39	P37-T39 VanDerWaalsContact C-N 3.34Å; P37-T39 PolarHBondContact O-N 3.46Å
38	T	43.8	Very low	41.5	Very low	24 Å²	24	78.2 Å²	78.2	15%	0.147	44%	0.442	C	S	.	.			trans	-79.7	87.5	-176.4	58.1	0	0	0	0	107.7	S33 T35 D36 F40	S33-T38 VanDerWaalsContact OG-CG2 3.22Å; S33-T38 WeakPolarHBondContact OG-CG2 3.49Å; T35-T38 WeakPolarHBondContact O-CG2 3.31Å; D36-T38 PolarHBondContact O-N 2.91Å; D36-T38 VanDerWaalsContact O-N 3.14Å; T38-F40 PolarHBondContact O-N 3Å; T38-F40 VanDerWaalsContact O-N 3.12Å
39	T	46.7	Very low	41.3	Very low	81 Å²	81	77 Å²	77	50%	0.497	44%	0.439	S	S	.	.			trans	-57.5	113.7	166.1	46.1	0	0	0	0	107.4	P37 D41	P37-T39 VanDerWaalsContact C-N 3.34Å; P37-T39 PolarHBondContact O-N 3.46Å; T39-D41 PolarHBondContact O-N 3Å
40	F	46.5	Very low	41.2	Very low	22 Å²	22	72 Å²	72	10%	0.096	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	99	171	-175.9	-89.8	0	0	0	107.1	T38 N42 F52 E63 F64 N65	T38-F40 PolarHBondContact O-N 3Å; T38-F40 VanDerWaalsContact O-N 3.12Å; F40-N42 HydrophobicContact CE1-CB 3.85Å; F40-N42 HydrophobicContact CZ-CB 4.41Å; F40-F52 AromaticContact CE1-CD1 3.5Å; F40-F52 HydrophobicContact CE1-CD1 3.5Å; F40-F52 AromaticContact CE1-CE1 3.49Å; F40-F52 HydrophobicContact CE1-CE1 3.49Å; F40-F52 VanDerWaalsContact CE1-CE1 3.49Å; F40-F52 HydrophobicContact CE1-CG 4.43Å; F40-F52 HydrophobicContact CE1-CZ 4.34Å; F40-F52 AromaticContact CZ-CD1 3.67Å; F40-F52 HydrophobicContact CZ-CD1 3.67Å; F40-F52 AromaticContact CZ-CE1 3.52Å; F40-F52 HydrophobicContact CZ-CE1 3.52Å; F40-E63 PolarHBondContact N-O 2.96Å; F40-F64 HydrophobicContact CB-CD2 4.16Å; F40-F64 AromaticContact CD1-CD2 3.57Å; F40-F64 HydrophobicContact CD1-CD2 3.57Å; F40-F64 AromaticContact CD1-CE2 3.13Å; F40-F64 HydrophobicContact CD1-CE2 3.13Å; F40-F64 AromaticContact CD1-CZ 3.89Å; F40-F64 HydrophobicContact CD1-CZ 3.89Å; F40-F64 HydrophobicContact CE1-CD2 4.37Å; F40-F64 AromaticContact CE1-CE2 3.5Å; F40-F64 HydrophobicContact CE1-CE2 3.5Å; F40-F64 VanDerWaalsContact CE1-CE2 3.5Å; F40-F64 AromaticContact CE1-CZ 3.95Å; F40-F64 HydrophobicContact CE1-CZ 3.95Å; F40-F64 HydrophobicContact CG-CD2 4.21Å; F40-F64 HydrophobicContact CG-CE2 4.09Å; F40-N65 PolarHBondContact O-N 3.38Å
41	D	44.3	Very low	41.4	Very low	96 Å²	96	72.6 Å²	72.6	51%	0.513	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	107.5	179.3	-70.2	-20.5	0	0	0	108.8	T39 N65	T39-D41 PolarHBondContact O-N 3Å; D41-N65 WeakPolarHBondContact OD1-CB 3.31Å
42	N	42.6	Very low	41.6	Very low	20 Å²	20	67.5 Å²	67.5	11%	0.107	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117	171.4	-141.7	-24.8	0	0	0	110.5	F40 V45 F52 N66 T67	F40-N42 HydrophobicContact CE1-CB 3.85Å; F40-N42 HydrophobicContact CZ-CB 4.41Å; N42-V45 HydrophobicContact CB-CG2 3.84Å; N42-V45 VanDerWaalsContact ND2-CG2 3.35Å; N42-V45 WeakPolarHBondContact ND2-CG2 3.39Å; N42-F52 HydrophobicContact CB-CZ 4.4Å; N42-F52 VanDerWaalsContact ND2-CE1 3.32Å; N42-F52 WeakPolarHBondContact ND2-CE1 3.23Å; N42-F52 VanDerWaalsContact ND2-CZ 3.27Å; N42-F52 WeakPolarHBondContact ND2-CZ 3.44Å; N42-N66 WeakPolarHBondContact CB-OD1 3.35Å; N42-N66 PolarHBondContact N-OD1 3.29Å; N42-T67 PolarHBondContact O-N 3.37Å
43	T	44.9	Very low	41.7	Very low	109 Å²	109	65.4 Å²	65.4	67%	0.669	38%	0.381	S	S	*	.	S	Bend	trans	-76.2	-35.9	-169.8	45.5	0	0	0	0	112.6
44	T	42.1	Very low	41.8	Very low	90 Å²	90	65 Å²	65	55%	0.552	38%	0.377	S	S	*	.			trans	-158.5	120.6	176.2	-62.9	0	0	0	0	110.2
45	V	43.3	Very low	42.2	Very low	6 Å²	6	63.6 Å²	63.6	4%	0.036	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117	177.6	-169.2	0	0	0	0	108.5	N42 T50 F52 T68 T70	N42-V45 HydrophobicContact CB-CG2 3.84Å; N42-V45 VanDerWaalsContact ND2-CG2 3.35Å; N42-V45 WeakPolarHBondContact ND2-CG2 3.39Å; V45-T50 HydrophobicContact CB-CG2 4.46Å; V45-T50 HydrophobicContact CG1-CG2 3.46Å; V45-T50 VanDerWaalsContact CG1-CG2 3.46Å; V45-F52 HydrophobicContact CB-CE2 4.28Å; V45-F52 HydrophobicContact CB-CZ 4.17Å; V45-F52 HydrophobicContact CG1-CE2 4.09Å; V45-F52 HydrophobicContact CG1-CZ 3.9Å; V45-F52 HydrophobicContact CG2-CE2 3.89Å; V45-F52 HydrophobicContact CG2-CZ 3.46Å; V45-F52 VanDerWaalsContact CG2-CZ 3.46Å; V45-T68 PolarHBondContact N-O 2.97Å; V45-T70 PolarHBondContact O-N 2.81Å; V45-T70 VanDerWaalsContact O-N 3.08Å
46	T	39.6	Very low	42.4	Very low	92 Å²	92	60.9 Å²	60.9	56%	0.564	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	102.6	-179.3	-52.4	0	0	0	0	108.4
47	S	42.8	Very low	42.6	Very low	15 Å²	15	54.3 Å²	54.3	11%	0.105	32%	0.316	C	S	.	.			trans	-151.2	158.1	175.8	178.8	0	0	0	0	110.1	T49 T70 S71	S47-T49 WeakPolarHBondContact CB-O 3.26Å; S47-T49 PolarHBondContact OG-N 3.11Å; S47-T49 PolarHBondContact OG-O 3.38Å; S47-T70 PolarHBondContact N-O 3.11Å; S47-S71 WeakPolarHBondContact O-CA 3.29Å; S47-S71 WeakPolarHBondContact O-CB 3.37Å; S47-S71 PolarHBondContact O-OG 3.39Å; S47-S71 VanDerWaalsContact O-OG 3.13Å
48	T	39.2	Very low	42.4	Very low	51 Å²	51	55.6 Å²	55.6	31%	0.313	32%	0.323	S	S	.	.	S	Bend	trans	-67.5	-30.7	172	46.5	0	0	0	0	112.4	Q23 S71 T72	Q23-T48 HydrophobicContact CB-CG2 4Å; T48-S71 PolarHBondContact O-OG 3.48Å; T48-S71 VanDerWaalsContact O-OG 3.08Å; T48-T72 PolarHBondContact O-OG1 3.25Å
49	T	37.3	Very low	42.3	Very low	90 Å²	90	56.2 Å²	56.2	55%	0.552	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	117.4	180	-47	0	0	0	0	106.3	S47	S47-T49 WeakPolarHBondContact CB-O 3.26Å; S47-T49 PolarHBondContact OG-N 3.11Å; S47-T49 PolarHBondContact OG-O 3.38Å
50	T	39.6	Very low	42.1	Very low	9 Å²	9	57.7 Å²	57.7	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.7	176.8	-49.9	0	0	0	0	107.1	V45 F52 E75	V45-T50 HydrophobicContact CB-CG2 4.46Å; V45-T50 HydrophobicContact CG1-CG2 3.46Å; V45-T50 VanDerWaalsContact CG1-CG2 3.46Å; T50-F52 HydrophobicContact CG2-CD2 3.59Å; T50-F52 HydrophobicContact CG2-CE2 3.16Å; T50-F52 HydrophobicContact CG2-CZ 3.8Å; T50-E75 PolarHBondContact O-N 3.38Å
51	E	44	Very low	41.9	Very low	115 Å²	115	60.6 Å²	60.6	54%	0.537	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.9	171.8	-170	178.3	173.5	0	0	107.6
52	F	44.8	Very low	41.8	Very low	11 Å²	11	57.3 Å²	57.3	5%	0.048	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.3	172	-81.3	-71.5	0	0	0	108.7	Y29 F40 N42 V45 T50 F64 N66 F76	Y29-F52 HydrophobicContact CD2-CE1 4.38Å; F40-F52 AromaticContact CE1-CD1 3.5Å; F40-F52 HydrophobicContact CE1-CD1 3.5Å; F40-F52 AromaticContact CE1-CE1 3.49Å; F40-F52 HydrophobicContact CE1-CE1 3.49Å; F40-F52 VanDerWaalsContact CE1-CE1 3.49Å; F40-F52 HydrophobicContact CE1-CG 4.43Å; F40-F52 HydrophobicContact CE1-CZ 4.34Å; F40-F52 AromaticContact CZ-CD1 3.67Å; F40-F52 HydrophobicContact CZ-CD1 3.67Å; F40-F52 AromaticContact CZ-CE1 3.52Å; F40-F52 HydrophobicContact CZ-CE1 3.52Å; N42-F52 HydrophobicContact CB-CZ 4.4Å; N42-F52 VanDerWaalsContact ND2-CE1 3.32Å; N42-F52 WeakPolarHBondContact ND2-CE1 3.23Å; N42-F52 VanDerWaalsContact ND2-CZ 3.27Å; N42-F52 WeakPolarHBondContact ND2-CZ 3.44Å; V45-F52 HydrophobicContact CB-CE2 4.28Å; V45-F52 HydrophobicContact CB-CZ 4.17Å; V45-F52 HydrophobicContact CG1-CE2 4.09Å; V45-F52 HydrophobicContact CG1-CZ 3.9Å; V45-F52 HydrophobicContact CG2-CE2 3.89Å; V45-F52 HydrophobicContact CG2-CZ 3.46Å; V45-F52 VanDerWaalsContact CG2-CZ 3.46Å; T50-F52 HydrophobicContact CG2-CD2 3.59Å; T50-F52 HydrophobicContact CG2-CE2 3.16Å; T50-F52 HydrophobicContact CG2-CZ 3.8Å; F52-F64 HydrophobicContact CB-CE2 3.9Å; F52-F64 HydrophobicContact CB-CZ 3.76Å; F52-F64 HydrophobicContact CD1-CE2 4.16Å; F52-F64 HydrophobicContact CD1-CZ 4.03Å; F52-F64 AromaticContact CD2-CZ 3.75Å; F52-F64 HydrophobicContact CD2-CZ 3.75Å; F52-F64 HydrophobicContact CE2-CZ 4.34Å; F52-F64 AromaticContact CG-CE2 3.96Å; F52-F64 HydrophobicContact CG-CE2 3.96Å; F52-F64 AromaticContact CG-CZ 3.56Å; F52-F64 HydrophobicContact CG-CZ 3.56Å; F52-N66 VanDerWaalsContact CE2-ND2 3.32Å; F52-N66 WeakPolarHBondContact CE2-ND2 3.21Å; F52-F76 HydrophobicContact CB-CD1 3.92Å; F52-F76 HydrophobicContact CB-CE1 4.2Å; F52-F76 HydrophobicContact CD2-CD1 4.11Å; F52-F76 AromaticContact CD2-CE1 3.51Å; F52-F76 HydrophobicContact CD2-CE1 3.51Å; F52-F76 HydrophobicContact CD2-CZ 4.41Å; F52-F76 HydrophobicContact CE2-CE1 4.34Å; F52-F76 HydrophobicContact CG-CD1 4.43Å; F52-F76 HydrophobicContact CG-CE1 4.22Å
53	N	43.4	Very low	41.9	Very low	69 Å²	69	62.5 Å²	62.5	37%	0.369	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	101.2	-179.4	-167.1	-7.4	0	0	0	109.8	T55	N53-T55 PolarHBondContact O-N 3.3Å; N53-T55 VanDerWaalsContact OD1-CG2 3.29Å; N53-T55 WeakPolarHBondContact OD1-CG2 3.33Å
54	N	42.7	Very low	41.8	Very low	24 Å²	24	59.5 Å²	59.5	13%	0.128	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	97.1	173.2	-153.6	-13	0	0	0	108.3	V57	N54-V57 HydrophobicContact CB-CG2 4.08Å; N54-V57 WeakPolarHBondContact ND2-CG2 3.17Å; N54-V57 WeakPolarHBondContact OD1-CG2 3.12Å
55	T	43	Very low	41.8	Very low	73 Å²	73	59.8 Å²	59.8	45%	0.448	34%	0.34	S	S	.	.			trans	-85.5	-18.2	-171.8	43.1	0	0	0	0	113.7	N53	N53-T55 PolarHBondContact O-N 3.3Å; N53-T55 VanDerWaalsContact OD1-CG2 3.29Å; N53-T55 WeakPolarHBondContact OD1-CG2 3.33Å
56	T	39.1	Very low	41.7	Very low	49 Å²	49	60.5 Å²	60.5	30%	0.301	34%	0.343	S	S	.	.			trans	-134.6	78.6	-173.6	-43.1	0	0	0	0	110
57	V	40.9	Very low	42	Very low	14 Å²	14	60.8 Å²	60.8	9%	0.085	35%	0.345	C	S	.	.			trans	-116.5	107.4	166.7	-165.7	0	0	0	0	109.6	N54 S59 T62	N54-V57 HydrophobicContact CB-CG2 4.08Å; N54-V57 WeakPolarHBondContact ND2-CG2 3.17Å; N54-V57 WeakPolarHBondContact OD1-CG2 3.12Å; V57-S59 VanDerWaalsContact C-N 3.3Å; V57-T62 HydrophobicContact CB-CG2 4.46Å; V57-T62 HydrophobicContact CG1-CG2 3.98Å; V57-T62 WeakPolarHBondContact CG1-OG1 3.17Å; V57-T62 HydrophobicContact CG2-CG2 3.93Å
58	T	39.1	Very low	41.9	Very low	108 Å²	108	62.9 Å²	62.9	66%	0.663	36%	0.357	S	S	*	.			trans	-88.6	4.4	172.6	44.7	0	0	0	0	112.5
59	S	41.9	Very low	42.1	Very low	36 Å²	36	61 Å²	61	25%	0.252	35%	0.346	S	S	.	.	S	Bend	trans	-91.6	141.6	179.2	-178.9	0	0	0	0	112.4	V57 T61	V57-S59 VanDerWaalsContact C-N 3.3Å; S59-T61 PolarHBondContact O-N 2.9Å; S59-T61 PolarHBondContact OG-N 3.01Å; S59-T61 PolarHBondContact OG-O 2.91Å
60	T	43.3	Very low	42.3	Very low	112 Å²	112	57.9 Å²	57.9	69%	0.687	33%	0.327	S	S	*	.	S	Bend	trans	-66.1	-17	176	47.5	0	0	0	0	113.8	Y92	T60-Y92 HydrophobicContact CG2-CD1 3.76Å; T60-Y92 HydrophobicContact CG2-CE1 4.08Å
61	T	41.3	Very low	42.5	Very low	84 Å²	84	58.5 Å²	58.5	52%	0.515	33%	0.331	S	S	.	.			trans	-135.4	97.9	-178.4	-26.2	0	0	0	0	108	S59	S59-T61 PolarHBondContact O-N 2.9Å; S59-T61 PolarHBondContact OG-N 3.01Å; S59-T61 PolarHBondContact OG-O 2.91Å
62	T	42.3	Very low	42.3	Very low	26 Å²	26	58.4 Å²	58.4	16%	0.16	34%	0.339	C	S	.	.			trans	-95.1	108.8	166.8	-34.7	0	0	0	0	107.7	V57	V57-T62 HydrophobicContact CB-CG2 4.46Å; V57-T62 HydrophobicContact CG1-CG2 3.98Å; V57-T62 WeakPolarHBondContact CG1-OG1 3.17Å; V57-T62 HydrophobicContact CG2-CG2 3.93Å
63	E	44.6	Very low	41.9	Very low	129 Å²	129	61.4 Å²	61.4	60%	0.603	36%	0.358	S	S	*	.			trans	-91.3	124.4	166.3	-68.8	-176.5	-168.5	0	0	108.1	F40	F40-E63 PolarHBondContact N-O 2.96Å
64	F	43.7	Very low	41.9	Very low	46 Å²	46	60.4 Å²	60.4	20%	0.202	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.1	175.7	-174.9	-84.4	0	0	0	107.2	F40 F52 N66 F76 F99	F40-F64 HydrophobicContact CB-CD2 4.16Å; F40-F64 AromaticContact CD1-CD2 3.57Å; F40-F64 HydrophobicContact CD1-CD2 3.57Å; F40-F64 AromaticContact CD1-CE2 3.13Å; F40-F64 HydrophobicContact CD1-CE2 3.13Å; F40-F64 AromaticContact CD1-CZ 3.89Å; F40-F64 HydrophobicContact CD1-CZ 3.89Å; F40-F64 HydrophobicContact CE1-CD2 4.37Å; F40-F64 AromaticContact CE1-CE2 3.5Å; F40-F64 HydrophobicContact CE1-CE2 3.5Å; F40-F64 VanDerWaalsContact CE1-CE2 3.5Å; F40-F64 AromaticContact CE1-CZ 3.95Å; F40-F64 HydrophobicContact CE1-CZ 3.95Å; F40-F64 HydrophobicContact CG-CD2 4.21Å; F40-F64 HydrophobicContact CG-CE2 4.09Å; F52-F64 HydrophobicContact CB-CE2 3.9Å; F52-F64 HydrophobicContact CB-CZ 3.76Å; F52-F64 HydrophobicContact CD1-CE2 4.16Å; F52-F64 HydrophobicContact CD1-CZ 4.03Å; F52-F64 AromaticContact CD2-CZ 3.75Å; F52-F64 HydrophobicContact CD2-CZ 3.75Å; F52-F64 HydrophobicContact CE2-CZ 4.34Å; F52-F64 AromaticContact CG-CE2 3.96Å; F52-F64 HydrophobicContact CG-CE2 3.96Å; F52-F64 AromaticContact CG-CZ 3.56Å; F52-F64 HydrophobicContact CG-CZ 3.56Å; F64-N66 HydrophobicContact CD1-CB 4.38Å; F64-N66 HydrophobicContact CE1-CB 3.79Å; F64-N66 WeakPolarHBondContact CE1-ND2 3.15Å; F64-N66 WeakPolarHBondContact CE1-OD1 3.17Å; F64-N66 VanDerWaalsContact CZ-CG 3.47Å; F64-N66 WeakPolarHBondContact CZ-ND2 3.33Å; F64-N66 WeakPolarHBondContact CZ-OD1 3.21Å; F64-F76 HydrophobicContact CD1-CD1 4.36Å; F64-F76 HydrophobicContact CD1-CE1 4.28Å; F64-F76 AromaticContact CE1-CD1 3.58Å; F64-F76 HydrophobicContact CE1-CD1 3.58Å; F64-F76 AromaticContact CE1-CE1 3.22Å; F64-F76 HydrophobicContact CE1-CE1 3.22Å; F64-F76 HydrophobicContact CE1-CZ 4.16Å; F64-F76 AromaticContact CZ-CD1 3.74Å; F64-F76 HydrophobicContact CZ-CD1 3.74Å; F64-F76 AromaticContact CZ-CE1 3.49Å; F64-F76 HydrophobicContact CZ-CE1 3.49Å; F64-F76 VanDerWaalsContact CZ-CE1 3.49Å; F64-F99 HydrophobicContact CB-CE2 4.39Å; F64-F99 AromaticContact CD1-CE2 3.53Å; F64-F99 HydrophobicContact CD1-CE2 3.53Å; F64-F99 HydrophobicContact CD1-CZ 4.06Å; F64-F99 HydrophobicContact CE1-CE2 4.12Å; F64-F99 HydrophobicContact CE1-CZ 4.21Å; F64-F99 HydrophobicContact CG-CE2 4.25Å
65	N	42.8	Very low	41.9	Very low	96 Å²	96	65.1 Å²	65.1	51%	0.513	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	87.8	-174.2	-160.4	8.3	0	0	0	110	F40 D41	F40-N65 PolarHBondContact O-N 3.38Å; D41-N65 WeakPolarHBondContact OD1-CB 3.31Å
66	N	39.8	Very low	42.1	Very low	21 Å²	21	64.3 Å²	64.3	11%	0.112	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	109.8	171.5	-84.4	8.2	0	0	0	110	N42 F52 F64 V69	N42-N66 WeakPolarHBondContact CB-OD1 3.35Å; N42-N66 PolarHBondContact N-OD1 3.29Å; F52-N66 VanDerWaalsContact CE2-ND2 3.32Å; F52-N66 WeakPolarHBondContact CE2-ND2 3.21Å; F64-N66 HydrophobicContact CD1-CB 4.38Å; F64-N66 HydrophobicContact CE1-CB 3.79Å; F64-N66 WeakPolarHBondContact CE1-ND2 3.15Å; F64-N66 WeakPolarHBondContact CE1-OD1 3.17Å; F64-N66 VanDerWaalsContact CZ-CG 3.47Å; F64-N66 WeakPolarHBondContact CZ-ND2 3.33Å; F64-N66 WeakPolarHBondContact CZ-OD1 3.21Å; N66-V69 HydrophobicContact CB-CG2 3.54Å; N66-V69 WeakPolarHBondContact ND2-CG2 3.49Å
67	T	45.7	Very low	42.3	Very low	98 Å²	98	65.2 Å²	65.2	60%	0.601	37%	0.372	S	S	*	.	S	Bend	trans	-70.7	-33.6	-176.3	-60.7	0	0	0	0	112	N42	N42-T67 PolarHBondContact O-N 3.37Å
68	T	41.5	Very low	42.3	Very low	59 Å²	59	67.9 Å²	67.9	36%	0.362	39%	0.386	S	S	.	.			trans	-152.7	112.7	177.5	-62.2	0	0	0	0	110.2	V45	V45-T68 PolarHBondContact N-O 2.97Å
69	V	43.2	Very low	42.5	Very low	12 Å²	12	70.3 Å²	70.3	7%	0.073	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.9	170.7	-171.4	0	0	0	0	108.5	N66 T74 F76	N66-V69 HydrophobicContact CB-CG2 3.54Å; N66-V69 WeakPolarHBondContact ND2-CG2 3.49Å; V69-T74 HydrophobicContact CG1-CG2 3.73Å; V69-F76 HydrophobicContact CG2-CZ 4.14Å
70	T	41.4	Very low	42.6	Very low	24 Å²	24	72.3 Å²	72.3	15%	0.147	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	95.3	177.6	-55.1	0	0	0	0	107.8	V45 S47 N106	V45-T70 PolarHBondContact O-N 2.81Å; V45-T70 VanDerWaalsContact O-N 3.08Å; S47-T70 PolarHBondContact N-O 3.11Å; T70-N106 HydrophobicContact CG2-CB 3.76Å; T70-N106 WeakPolarHBondContact CG2-ND2 3.16Å
71	S	43.3	Very low	42.3	Very low	22 Å²	22	72.3 Å²	72.3	15%	0.154	39%	0.39	C	S	.	.			trans	-143.1	150.5	178.4	177.3	0	0	0	0	111.4	S47 T48 T73	S47-S71 WeakPolarHBondContact O-CA 3.29Å; S47-S71 WeakPolarHBondContact O-CB 3.37Å; S47-S71 PolarHBondContact O-OG 3.39Å; S47-S71 VanDerWaalsContact O-OG 3.13Å; T48-S71 PolarHBondContact O-OG 3.48Å; T48-S71 VanDerWaalsContact O-OG 3.08Å; S71-T73 VanDerWaalsContact C-N 3.28Å; S71-T73 VanDerWaalsContact OG-C 3.31Å; S71-T73 PolarHBondContact OG-N 3.02Å; S71-T73 VanDerWaalsContact OG-N 3.07Å; S71-T73 PolarHBondContact OG-O 3.06Å
72	T	39.4	Very low	42.3	Very low	114 Å²	114	73.4 Å²	73.4	70%	0.699	40%	0.396	S	S	*	.	S	Bend	trans	-70.9	-26.5	169.5	39.5	0	0	0	0	112.4	T48	T48-T72 PolarHBondContact O-OG1 3.25Å
73	T	38.2	Very low	42.1	Very low	74 Å²	74	77.5 Å²	77.5	45%	0.454	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	119.4	178.1	-48.1	0	0	0	0	108.3	S71	S71-T73 VanDerWaalsContact C-N 3.28Å; S71-T73 VanDerWaalsContact OG-C 3.31Å; S71-T73 PolarHBondContact OG-N 3.02Å; S71-T73 VanDerWaalsContact OG-N 3.07Å; S71-T73 PolarHBondContact OG-O 3.06Å
74	T	42.1	Very low	41.7	Very low	48 Å²	48	77.7 Å²	77.7	29%	0.294	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.6	179.5	-36.3	0	0	0	0	108.2	V69 F76	V69-T74 HydrophobicContact CG1-CG2 3.73Å; T74-F76 HydrophobicContact CG2-CD2 3.88Å; T74-F76 HydrophobicContact CG2-CE1 4.18Å; T74-F76 HydrophobicContact CG2-CE2 3.1Å; T74-F76 HydrophobicContact CG2-CZ 3.28Å
75	E	43.8	Very low	41.2	Very low	122 Å²	122	79.7 Å²	79.7	57%	0.57	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.6	174.5	-67.9	-171.9	-172.5	0	0	108.3	T50	T50-E75 PolarHBondContact O-N 3.38Å
76	F	45.7	Very low	40.5	Very low	57 Å²	57	81.5 Å²	81.5	25%	0.25	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.7	174.4	-64	-83.8	0	0	0	108.1	F52 F64 V69 T74 F99 T101	F52-F76 HydrophobicContact CB-CD1 3.92Å; F52-F76 HydrophobicContact CB-CE1 4.2Å; F52-F76 HydrophobicContact CD2-CD1 4.11Å; F52-F76 AromaticContact CD2-CE1 3.51Å; F52-F76 HydrophobicContact CD2-CE1 3.51Å; F52-F76 HydrophobicContact CD2-CZ 4.41Å; F52-F76 HydrophobicContact CE2-CE1 4.34Å; F52-F76 HydrophobicContact CG-CD1 4.43Å; F52-F76 HydrophobicContact CG-CE1 4.22Å; F64-F76 HydrophobicContact CD1-CD1 4.36Å; F64-F76 HydrophobicContact CD1-CE1 4.28Å; F64-F76 AromaticContact CE1-CD1 3.58Å; F64-F76 HydrophobicContact CE1-CD1 3.58Å; F64-F76 AromaticContact CE1-CE1 3.22Å; F64-F76 HydrophobicContact CE1-CE1 3.22Å; F64-F76 HydrophobicContact CE1-CZ 4.16Å; F64-F76 AromaticContact CZ-CD1 3.74Å; F64-F76 HydrophobicContact CZ-CD1 3.74Å; F64-F76 AromaticContact CZ-CE1 3.49Å; F64-F76 HydrophobicContact CZ-CE1 3.49Å; F64-F76 VanDerWaalsContact CZ-CE1 3.49Å; V69-F76 HydrophobicContact CG2-CZ 4.14Å; T74-F76 HydrophobicContact CG2-CD2 3.88Å; T74-F76 HydrophobicContact CG2-CE1 4.18Å; T74-F76 HydrophobicContact CG2-CE2 3.1Å; T74-F76 HydrophobicContact CG2-CZ 3.28Å; F76-F99 HydrophobicContact CB-CE1 4.25Å; F76-F99 HydrophobicContact CB-CE2 4.5Å; F76-F99 HydrophobicContact CB-CZ 3.99Å; F76-F99 HydrophobicContact CD1-CE1 4.39Å; F76-F99 HydrophobicContact CD1-CE2 4.24Å; F76-F99 AromaticContact CD1-CZ 3.58Å; F76-F99 HydrophobicContact CD1-CZ 3.58Å; F76-F99 HydrophobicContact CD2-CD1 4.47Å; F76-F99 AromaticContact CD2-CE1 3.27Å; F76-F99 HydrophobicContact CD2-CE1 3.27Å; F76-F99 HydrophobicContact CD2-CE2 4.49Å; F76-F99 AromaticContact CD2-CZ 3.32Å; F76-F99 HydrophobicContact CD2-CZ 3.32Å; F76-F99 AromaticContact CE1-CZ 3.79Å; F76-F99 HydrophobicContact CE1-CZ 3.79Å; F76-F99 AromaticContact CE2-CE1 3.52Å; F76-F99 HydrophobicContact CE2-CE1 3.52Å; F76-F99 AromaticContact CE2-CZ 3.48Å; F76-F99 HydrophobicContact CE2-CZ 3.48Å; F76-F99 VanDerWaalsContact CE2-CZ 3.48Å; F76-F99 AromaticContact CG-CE1 3.73Å; F76-F99 HydrophobicContact CG-CE1 3.73Å; F76-F99 HydrophobicContact CG-CE2 4.17Å; F76-F99 AromaticContact CG-CZ 3.33Å; F76-F99 HydrophobicContact CG-CZ 3.33Å; F76-F99 HydrophobicContact CZ-CE1 4.22Å; F76-F99 AromaticContact CZ-CZ 3.72Å; F76-F99 HydrophobicContact CZ-CZ 3.72Å; F76-T101 HydrophobicContact CE2-CG2 3.81Å; F76-T101 HydrophobicContact CZ-CG2 4.2Å
77	T	43.1	Very low	40.2	Very low	68 Å²	68	84.8 Å²	84.8	42%	0.417	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	100.3	174.1	-57.7	0	0	0	0	108
78	N	42.9	Very low	39.7	Very low	70 Å²	70	87.2 Å²	87.2	37%	0.374	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	104.6	165.7	-161.5	-4	0	0	0	107.2	P80	N78-P80 WeakPolarHBondContact O-CD 3.4Å
79	K	43.2	Very low	39.1	Very low	159 Å²	159	88.5 Å²	88.5	69%	0.691	51%	0.509	S	S	*	.			trans	-99	92.8	175.3	-166.1	179.1	-178.3	-171.1	0	107.6	K81	K79-K81 PolarHBondContact O-N 3.31Å
80	P	42.5	Very low	38.2	Very low	78 Å²	78	92.2 Å²	92.2	51%	0.506	53%	0.531	S	S	.	.			trans	-58.6	120.5	177.8	24.1	-32.7	0	0	0	108.3	N78 V82	N78-P80 WeakPolarHBondContact O-CD 3.4Å; P80-V82 VanDerWaalsContact C-N 3.33Å; P80-V82 PolarHBondContact O-N 3.34Å
81	K	38.2	Very low	37.6	Very low	112 Å²	112	97.3 Å²	97.3	49%	0.487	56%	0.563	S	S	.	*			trans	-71.8	98.3	169.1	-166.2	-173.4	-175.9	-171.7	0	105.9	K79 E83	K79-K81 PolarHBondContact O-N 3.31Å; K81-E83 HydrophobicContact CD-CG 3.84Å; K81-E83 WeakPolarHBondContact CE-OE1 3.27Å; K81-E83 HydrophobicContact CG-CG 3.96Å; K81-E83 IonicContact NZ-OE1 2.61Å; K81-E83 PolarHBondContact NZ-OE1 2.71Å; K81-E83 PolarHBondContact O-N 2.94Å
82	V	41.5	Very low	36.8	Very low	107 Å²	107	103.9 Å²	103.9	65%	0.648	59%	0.585	S	S	*	*			trans	-68.7	79.6	168.4	-174.8	0	0	0	0	106.7	P80 N84	P80-V82 VanDerWaalsContact C-N 3.33Å; P80-V82 PolarHBondContact O-N 3.34Å; V82-N84 PolarHBondContact O-N 2.82Å
83	E	38.4	Very low	36.3	Very low	111 Å²	111	104.3 Å²	104.3	52%	0.519	59%	0.588	S	S	.	*			trans	-73.7	104.7	158.4	-71.9	-168.7	167.2	0	0	105.7	K81 S85	K81-E83 HydrophobicContact CD-CG 3.84Å; K81-E83 WeakPolarHBondContact CE-OE1 3.27Å; K81-E83 HydrophobicContact CG-CG 3.96Å; K81-E83 IonicContact NZ-OE1 2.61Å; K81-E83 PolarHBondContact NZ-OE1 2.71Å; K81-E83 PolarHBondContact O-N 2.94Å; E83-S85 PolarHBondContact O-N 3.4Å
84	N	36.2	Very low	36.1	Very low	133 Å²	133	106.1 Å²	106.1	71%	0.711	60%	0.599	S	S	*	*			trans	-55.1	79.7	164.4	-86.9	45	0	0	0	108.9	V82 T86	V82-N84 PolarHBondContact O-N 2.82Å; N84-T86 PolarHBondContact O-N 3.43Å; N84-T86 PolarHBondContact O-OG1 2.75Å
85	S	32.2	Very low	35.6	Very low	88 Å²	88	109.6 Å²	109.6	62%	0.615	62%	0.62	S	S	*	*			trans	-76	89.5	165.3	-167.9	0	0	0	0	106.7	E83 T87	E83-S85 PolarHBondContact O-N 3.4Å; S85-T87 PolarHBondContact O-N 3.05Å; S85-T87 PolarHBondContact OG-OG1 3.22Å
86	T	29.1	Very low	35.1	Very low	135 Å²	135	109.9 Å²	109.9	83%	0.828	63%	0.632	S	S	*	*			trans	-73.9	72.2	170.6	-27	0	0	0	0	107.2	N84	N84-T86 PolarHBondContact O-N 3.43Å; N84-T86 PolarHBondContact O-OG1 2.75Å
87	T	32.5	Very low	34.6	Very low	90 Å²	90	111 Å²	111	55%	0.552	65%	0.648	S	S	*	*			trans	-127.1	106.4	169	-39.9	0	0	0	0	107.6	S85	S85-T87 PolarHBondContact O-N 3.05Å; S85-T87 PolarHBondContact OG-OG1 3.22Å
88	D	34.3	Very low	34.1	Very low	148 Å²	148	116.2 Å²	116.2	79%	0.791	67%	0.667	S	S	*	*	S	Bend	trans	55.1	77.2	164.4	-59.6	-24.4	0	0	0	117.3	T90	D88-T90 VanDerWaalsContact C-N 3.26Å; D88-T90 PolarHBondContact O-N 3.29Å; D88-T90 PolarHBondContact O-OG1 3.43Å
89	G	29.5	Very low	33.9	Very low	87 Å²	87	116.9 Å²	116.9	90%	0.897	67%	0.667	S	S	*	*	S	Bend	trans	68.5	9.1	141.9	0	0	0	0	0	118.1
90	T	25.3	Very low	33.5	Very low	89 Å²	89	114.1 Å²	114.1	55%	0.546	67%	0.667	S	S	.	*			trans	-112.1	102.9	176.6	28.4	0	0	0	0	110.8	D88 Y92	D88-T90 VanDerWaalsContact C-N 3.26Å; D88-T90 PolarHBondContact O-N 3.29Å; D88-T90 PolarHBondContact O-OG1 3.43Å; T90-Y92 WeakPolarHBondContact O-CD2 3.32Å; T90-Y92 PolarHBondContact O-N 3.32Å
91	T	27.3	Very low	33.2	Very low	132 Å²	132	113.3 Å²	113.3	81%	0.81	66%	0.661	S	S	*	*			trans	-69	107.2	170.4	-55.4	0	0	0	0	108.8	T93	T91-T93 PolarHBondContact O-N 3.47Å
92	Y	28	Very low	32.9	Very low	160 Å²	160	113.2 Å²	113.2	63%	0.627	67%	0.674	S	S	*	*			trans	-76.7	112.3	172	-62.7	-82.6	0	0	0	109.5	T60 T90	T60-Y92 HydrophobicContact CG2-CD1 3.76Å; T60-Y92 HydrophobicContact CG2-CE1 4.08Å; T90-Y92 WeakPolarHBondContact O-CD2 3.32Å; T90-Y92 PolarHBondContact O-N 3.32Å
93	T	28	Very low	32.7	Very low	123 Å²	123	112.7 Å²	112.7	76%	0.755	67%	0.671	S	S	*	*			trans	-87.3	107.9	171.5	-34.5	0	0	0	0	107.9	T91 T95	T91-T93 PolarHBondContact O-N 3.47Å; T93-T95 PolarHBondContact O-N 2.96Å
94	T	34.2	Very low	32.5	Very low	112 Å²	112	110.6 Å²	110.6	69%	0.687	67%	0.669	S	S	*	*			trans	-73.2	105.6	173.4	53.3	0	0	0	0	109.2
95	T	31.1	Very low	32.6	Very low	120 Å²	120	109.5 Å²	109.5	74%	0.736	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-76.7	134.1	167.6	39.7	0	0	0	0	109.6	T93 S97	T93-T95 PolarHBondContact O-N 2.96Å; T95-S97 PolarHBondContact O-N 2.81Å
96	P	34	Very low	32.9	Very low	128 Å²	128	109.1 Å²	109.1	83%	0.831	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-56.7	116.5	173.4	-19.9	30.2	0	0	0	109.7	H98	P96-H98 PolarHBondContact O-N 3.03Å
97	S	36.1	Very low	33.6	Very low	82 Å²	82	107.7 Å²	107.7	57%	0.573	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-65.1	122.3	175.1	54.2	0	0	0	0	109.2	T95 F99	T95-S97 PolarHBondContact O-N 2.81Å; S97-F99 PolarHBondContact O-N 3.34Å
98	H	32.6	Very low	34.1	Very low	177 Å²	177	106.4 Å²	106.4	82%	0.819	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-68.5	116.7	178.6	-164.6	-81.2	0	0	0	109.5	P96	P96-H98 PolarHBondContact O-N 3.03Å
99	F	37.3	Very low	34.7	Very low	84 Å²	84	102.4 Å²	102.4	37%	0.368	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-93.3	117.5	-177.2	-166.8	-110.2	0	0	0	109.9	F64 F76 S97 T101	F64-F99 HydrophobicContact CB-CE2 4.39Å; F64-F99 AromaticContact CD1-CE2 3.53Å; F64-F99 HydrophobicContact CD1-CE2 3.53Å; F64-F99 HydrophobicContact CD1-CZ 4.06Å; F64-F99 HydrophobicContact CE1-CE2 4.12Å; F64-F99 HydrophobicContact CE1-CZ 4.21Å; F64-F99 HydrophobicContact CG-CE2 4.25Å; F76-F99 HydrophobicContact CB-CE1 4.25Å; F76-F99 HydrophobicContact CB-CE2 4.5Å; F76-F99 HydrophobicContact CB-CZ 3.99Å; F76-F99 HydrophobicContact CD1-CE1 4.39Å; F76-F99 HydrophobicContact CD1-CE2 4.24Å; F76-F99 AromaticContact CD1-CZ 3.58Å; F76-F99 HydrophobicContact CD1-CZ 3.58Å; F76-F99 HydrophobicContact CD2-CD1 4.47Å; F76-F99 AromaticContact CD2-CE1 3.27Å; F76-F99 HydrophobicContact CD2-CE1 3.27Å; F76-F99 HydrophobicContact CD2-CE2 4.49Å; F76-F99 AromaticContact CD2-CZ 3.32Å; F76-F99 HydrophobicContact CD2-CZ 3.32Å; F76-F99 AromaticContact CE1-CZ 3.79Å; F76-F99 HydrophobicContact CE1-CZ 3.79Å; F76-F99 AromaticContact CE2-CE1 3.52Å; F76-F99 HydrophobicContact CE2-CE1 3.52Å; F76-F99 AromaticContact CE2-CZ 3.48Å; F76-F99 HydrophobicContact CE2-CZ 3.48Å; F76-F99 VanDerWaalsContact CE2-CZ 3.48Å; F76-F99 AromaticContact CG-CE1 3.73Å; F76-F99 HydrophobicContact CG-CE1 3.73Å; F76-F99 HydrophobicContact CG-CE2 4.17Å; F76-F99 AromaticContact CG-CZ 3.33Å; F76-F99 HydrophobicContact CG-CZ 3.33Å; F76-F99 HydrophobicContact CZ-CE1 4.22Å; F76-F99 AromaticContact CZ-CZ 3.72Å; F76-F99 HydrophobicContact CZ-CZ 3.72Å; S97-F99 PolarHBondContact O-N 3.34Å; F99-T101 HydrophobicContact CD1-CG2 3.85Å; F99-T101 HydrophobicContact CE1-CG2 3.07Å; F99-T101 HydrophobicContact CZ-CG2 3.5Å; F99-T101 VanDerWaalsContact CZ-CG2 3.5Å
100	S	34.9	Very low	35.6	Very low	101 Å²	101	102.9 Å²	102.9	71%	0.706	61%	0.608	S	S	*	*			trans	-107.8	85.2	176.8	-67.7	0	0	0	0	109.7
101	T	36.9	Very low	36.9	Very low	60 Å²	60	100.6 Å²	100.6	37%	0.368	60%	0.595	S	S	.	*			trans	-84.8	125.6	166.9	36.5	0	0	0	0	111.3	F76 F99 T103	F76-T101 HydrophobicContact CE2-CG2 3.81Å; F76-T101 HydrophobicContact CZ-CG2 4.2Å; F99-T101 HydrophobicContact CD1-CG2 3.85Å; F99-T101 HydrophobicContact CE1-CG2 3.07Å; F99-T101 HydrophobicContact CZ-CG2 3.5Å; F99-T101 VanDerWaalsContact CZ-CG2 3.5Å; T101-T103 PolarHBondContact O-N 3.13Å
102	S	32.2	Very low	38.2	Very low	110 Å²	110	101.7 Å²	101.7	77%	0.769	59%	0.588	S	S	*	*			trans	-80.6	95.7	157.7	-66.3	0	0	0	0	108.1	S104	S102-S104 PolarHBondContact O-N 3.43Å
103	T	36.3	Very low	39.7	Very low	96 Å²	96	99.7 Å²	99.7	59%	0.589	58%	0.583	S	S	*	*	B	Isolated β-bridge	trans	-70.6	101.8	170.9	-48.8	0	0	0	0	108.2	T101 T105	T101-T103 PolarHBondContact O-N 3.13Å; T103-T105 PolarHBondContact O-N 2.95Å
104	S	34.7	Very low	41	Very low	68 Å²	68	98.1 Å²	98.1	48%	0.476	57%	0.567	S	S	.	*			trans	-84	90.8	163.9	-175.6	0	0	0	0	107.4	S102 N106	S102-S104 PolarHBondContact O-N 3.43Å; S104-N106 PolarHBondContact O-N 3.13Å; S104-N106 VanDerWaalsContact O-N 3.07Å
105	T	38	Very low	42.5	Very low	110 Å²	110	101.3 Å²	101.3	68%	0.675	57%	0.567	S	S	*	*			trans	-59.6	117.1	166.4	-27.3	0	0	0	0	105.9	T103 D107	T103-T105 PolarHBondContact O-N 2.95Å; T105-D107 PolarHBondContact O-N 2.7Å
106	N	39.5	Very low	44.4	Very low	79 Å²	79	99.3 Å²	99.3	42%	0.422	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	35.7	-177.6	-140.8	-5	0	0	0	112.3	T70 S104 A108 T109	T70-N106 HydrophobicContact CG2-CB 3.76Å; T70-N106 WeakPolarHBondContact CG2-ND2 3.16Å; S104-N106 PolarHBondContact O-N 3.13Å; S104-N106 VanDerWaalsContact O-N 3.07Å; N106-A108 PolarHBondContact O-N 2.88Å; N106-A108 VanDerWaalsContact O-N 3.13Å; N106-T109 PolarHBondContact O-N 3.33Å; N106-T109 PolarHBondContact O-OG1 3.08Å
107	D	43.3	Very low	46.2	Very low	105 Å²	105	98.8 Å²	98.8	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-59.3	-24.5	-177.2	-162	13.7	0	0	0	111.5	T105 T109 N110 S111	T105-D107 PolarHBondContact O-N 2.7Å; D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 3.08Å; D107-N110 PolarHBondContact O-N 2.69Å; D107-S111 WeakPolarHBondContact O-CB 3.32Å; D107-S111 PolarHBondContact O-N 3.15Å
108	A	42.3	Very low	47.8	Very low	63 Å²	63	101.7 Å²	101.7	52%	0.521	54%	0.535	S	S	.	.	H	α-helix	trans	-61.3	-33.9	172.6	0	0	0	0	0	113.1	N106 K112	N106-A108 PolarHBondContact O-N 2.88Å; N106-A108 VanDerWaalsContact O-N 3.13Å; A108-K112 VanDerWaalsContact O-CG 3.31Å; A108-K112 WeakPolarHBondContact O-CG 3.17Å; A108-K112 PolarHBondContact O-N 3.07Å
109	T	46.7	Very low	49.7	Very low	64 Å²	64	99.2 Å²	99.2	39%	0.393	53%	0.525	S	S	.	.	H	α-helix	trans	-73.5	-44.5	176.5	62.6	0	0	0	0	111	N106 D107 S111 K112 F113	N106-T109 PolarHBondContact O-N 3.33Å; N106-T109 PolarHBondContact O-OG1 3.08Å; D107-T109 VanDerWaalsContact C-N 3.28Å; D107-T109 PolarHBondContact O-N 3.08Å; T109-S111 VanDerWaalsContact C-N 3.35Å; T109-S111 PolarHBondContact O-N 3.27Å; T109-K112 PolarHBondContact O-N 3.27Å; T109-F113 WeakPolarHBondContact O-CD2 3.36Å; T109-F113 PolarHBondContact O-N 3.07Å
110	N	47.8	Very low	51.3	Low	98 Å²	98	98.2 Å²	98.2	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-61.8	-43.8	178.1	-164.2	-1.7	0	0	0	111.1	D107 K112 F113 Q114	D107-N110 PolarHBondContact O-N 2.69Å; N110-K112 VanDerWaalsContact C-N 3.34Å; N110-K112 PolarHBondContact O-N 3.07Å; N110-F113 PolarHBondContact O-N 2.8Å; N110-Q114 WeakPolarHBondContact O-CB 3.35Å; N110-Q114 PolarHBondContact O-N 3.3Å
111	S	54	Low	53.1	Low	40 Å²	40	96.4 Å²	96.4	28%	0.28	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-39.6	177	-167.6	0	0	0	0	112.8	D107 T109 R115	D107-S111 WeakPolarHBondContact O-CB 3.32Å; D107-S111 PolarHBondContact O-N 3.15Å; T109-S111 VanDerWaalsContact C-N 3.35Å; T109-S111 PolarHBondContact O-N 3.27Å; S111-R115 WeakPolarHBondContact O-CB 3.33Å; S111-R115 WeakPolarHBondContact O-CG 3.22Å; S111-R115 PolarHBondContact O-N 3.46Å; S111-R115 PolarHBondContact OG-NE 3.39Å
112	K	54.8	Low	55	Low	155 Å²	155	95.5 Å²	95.5	67%	0.674	51%	0.51	S	S	*	.	H	α-helix	trans	-68.1	-44.7	177.8	-72.9	174.9	-174.6	-179.4	0	111.9	A108 T109 N110 R115 I116	A108-K112 VanDerWaalsContact O-CG 3.31Å; A108-K112 WeakPolarHBondContact O-CG 3.17Å; A108-K112 PolarHBondContact O-N 3.07Å; T109-K112 PolarHBondContact O-N 3.27Å; N110-K112 VanDerWaalsContact C-N 3.34Å; N110-K112 PolarHBondContact O-N 3.07Å; K112-R115 PolarHBondContact O-N 3.4Å; K112-I116 PolarHBondContact O-N 3.43Å
113	F	58.2	Low	57.1	Low	118 Å²	118	94.7 Å²	94.7	52%	0.518	50%	0.497	S	S	.	.	H	α-helix	trans	-66.5	-38.6	177.3	-76.5	-66.6	0	0	0	112.2	T109 N110 I116 F117	T109-F113 WeakPolarHBondContact O-CD2 3.36Å; T109-F113 PolarHBondContact O-N 3.07Å; N110-F113 PolarHBondContact O-N 2.8Å; F113-I116 HydrophobicContact CD1-CG2 4.49Å; F113-I116 WeakPolarHBondContact O-CG2 3.12Å; F113-I116 PolarHBondContact O-N 3.09Å; F113-F117 VanDerWaalsContact O-CB 3.23Å; F113-F117 WeakPolarHBondContact O-CB 3.22Å; F113-F117 PolarHBondContact O-N 3.29Å
114	Q	55.9	Low	58.9	Low	90 Å²	90	94 Å²	94	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-65.7	-42.5	175.8	-171.5	180	20.7	0	0	111.4	N110 F117 Y118	N110-Q114 WeakPolarHBondContact O-CB 3.35Å; N110-Q114 PolarHBondContact O-N 3.3Å; Q114-F117 PolarHBondContact O-N 3.32Å; Q114-Y118 HydrophobicContact CG-CD2 3.76Å; Q114-Y118 HydrophobicContact CG-CE2 3.31Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.41Å; Q114-Y118 PolarHBondContact O-N 3.25Å
115	R	65.9	Low	60.8	Low	180 Å²	180	93.8 Å²	93.8	68%	0.679	49%	0.487	S	S	*	.	H	α-helix	trans	-61.1	-47.3	175.3	-76.4	171.5	-171.6	-136.6	1.5	112.1	S111 K112 F117 M119	S111-R115 WeakPolarHBondContact O-CB 3.33Å; S111-R115 WeakPolarHBondContact O-CG 3.22Å; S111-R115 PolarHBondContact O-N 3.46Å; S111-R115 PolarHBondContact OG-NE 3.39Å; K112-R115 PolarHBondContact O-N 3.4Å; R115-F117 VanDerWaalsContact C-N 3.34Å; R115-M119 WeakPolarHBondContact O-CB 3.29Å; R115-M119 PolarHBondContact O-N 3.44Å
116	I	70.5	Confident	62.6	Low	78 Å²	78	93.9 Å²	93.9	40%	0.4	48%	0.483	S	S	.	.	H	α-helix	trans	-67.2	-37.5	179	-164.9	66.9	0	0	0	111.3	K112 F113 M119 I120	K112-I116 PolarHBondContact O-N 3.43Å; F113-I116 HydrophobicContact CD1-CG2 4.49Å; F113-I116 WeakPolarHBondContact O-CG2 3.12Å; F113-I116 PolarHBondContact O-N 3.09Å; I116-M119 PolarHBondContact O-N 3.49Å; I116-I120 HydrophobicContact CG1-CD1 4.05Å; I116-I120 VanDerWaalsContact O-CG1 3.31Å; I116-I120 WeakPolarHBondContact O-CG1 3.33Å; I116-I120 PolarHBondContact O-N 3.14Å
117	F	71.2	Confident	64.2	Low	116 Å²	116	96.7 Å²	96.7	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-59.8	-50.8	176.1	179	-97.2	0	0	0	111.7	F113 Q114 R115 M119 I120 V121	F113-F117 VanDerWaalsContact O-CB 3.23Å; F113-F117 WeakPolarHBondContact O-CB 3.22Å; F113-F117 PolarHBondContact O-N 3.29Å; Q114-F117 PolarHBondContact O-N 3.32Å; R115-F117 VanDerWaalsContact C-N 3.34Å; F117-M119 VanDerWaalsContact C-N 3.3Å; F117-M119 PolarHBondContact O-N 3.5Å; F117-I120 PolarHBondContact O-N 3.12Å; F117-V121 HydrophobicContact CD1-CG2 4.26Å; F117-V121 HydrophobicContact CE1-CG2 3.87Å; F117-V121 HydrophobicContact CE2-CG2 4.18Å; F117-V121 HydrophobicContact CZ-CG2 3.83Å; F117-V121 WeakPolarHBondContact O-CG2 3.41Å; F117-V121 PolarHBondContact O-N 2.96Å
118	Y	70.6	Confident	65.4	Low	144 Å²	144	95.6 Å²	95.6	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-63.9	-35.1	177.6	-72.7	-56.3	0	0	0	112.9	Q114 G122	Q114-Y118 HydrophobicContact CG-CD2 3.76Å; Q114-Y118 HydrophobicContact CG-CE2 3.31Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.41Å; Q114-Y118 PolarHBondContact O-N 3.25Å; Y118-G122 PolarHBondContact O-N 3.05Å
119	M	73.4	Confident	66.7	Low	124 Å²	124	99.3 Å²	99.3	61%	0.611	51%	0.51	S	S	*	.	H	α-helix	trans	-64	-43.5	175.8	-168.7	178.9	-82.3	0	0	111.4	R115 I116 F117 G122 L123	R115-M119 WeakPolarHBondContact O-CB 3.29Å; R115-M119 PolarHBondContact O-N 3.44Å; I116-M119 PolarHBondContact O-N 3.49Å; F117-M119 VanDerWaalsContact C-N 3.3Å; F117-M119 PolarHBondContact O-N 3.5Å; M119-G122 PolarHBondContact O-N 3.28Å; M119-L123 HydrophobicContact CG-CD1 4.41Å; M119-L123 WeakPolarHBondContact O-CG 3.19Å; M119-L123 PolarHBondContact O-N 3.4Å
120	I	71	Confident	66.8	Low	64 Å²	64	105.6 Å²	105.6	33%	0.328	54%	0.541	S	S	.	.	H	α-helix	trans	-65.3	-47.6	177.1	-67.1	164.9	0	0	0	110.9	I116 F117 G122 L123 I124	I116-I120 HydrophobicContact CG1-CD1 4.05Å; I116-I120 VanDerWaalsContact O-CG1 3.31Å; I116-I120 WeakPolarHBondContact O-CG1 3.33Å; I116-I120 PolarHBondContact O-N 3.14Å; F117-I120 PolarHBondContact O-N 3.12Å; I120-G122 VanDerWaalsContact C-N 3.3Å; I120-G122 PolarHBondContact O-N 3.4Å; I120-L123 PolarHBondContact O-N 3.26Å; I120-I124 HydrophobicContact CG2-CD1 3.75Å; I120-I124 HydrophobicContact CG2-CG1 4.42Å; I120-I124 WeakPolarHBondContact O-CG1 3.2Å; I120-I124 PolarHBondContact O-N 2.98Å
121	V	72.8	Confident	67.7	Low	63 Å²	63	106 Å²	106	38%	0.382	54%	0.542	S	S	.	.	H	α-helix	trans	-60.7	-40.6	178.4	172.8	0	0	0	0	111.2	F117 I124 S125	F117-V121 HydrophobicContact CD1-CG2 4.26Å; F117-V121 HydrophobicContact CE1-CG2 3.87Å; F117-V121 HydrophobicContact CE2-CG2 4.18Å; F117-V121 HydrophobicContact CZ-CG2 3.83Å; F117-V121 WeakPolarHBondContact O-CG2 3.41Å; F117-V121 PolarHBondContact O-N 2.96Å; V121-I124 PolarHBondContact O-N 2.69Å; V121-S125 WeakPolarHBondContact O-CB 3.03Å; V121-S125 PolarHBondContact O-N 2.61Å; V121-S125 PolarHBondContact O-OG 2.96Å
122	G	76	Confident	68.4	Low	41 Å²	41	109.4 Å²	109.4	42%	0.423	56%	0.556	S	S	.	*	H	α-helix	trans	-61.8	-43.4	174.5	0	0	0	0	0	113.1	Y118 M119 I120 S125 L126	Y118-G122 PolarHBondContact O-N 3.05Å; M119-G122 PolarHBondContact O-N 3.28Å; I120-G122 VanDerWaalsContact C-N 3.3Å; I120-G122 PolarHBondContact O-N 3.4Å; G122-S125 PolarHBondContact O-N 3.44Å; G122-L126 PolarHBondContact O-N 3.38Å
123	L	75.9	Confident	69.2	Low	93 Å²	93	106.9 Å²	106.9	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-64.5	-43.6	177.2	-75.5	165.4	0	0	0	112.5	M119 I120 S125 L126 M127	M119-L123 HydrophobicContact CG-CD1 4.41Å; M119-L123 WeakPolarHBondContact O-CG 3.19Å; M119-L123 PolarHBondContact O-N 3.4Å; I120-L123 PolarHBondContact O-N 3.26Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 2.8Å; L123-L126 PolarHBondContact O-N 3.21Å; L123-M127 WeakPolarHBondContact O-CG 3.37Å; L123-M127 PolarHBondContact O-N 2.92Å
124	I	74.7	Confident	69.8	Low	82 Å²	82	106.2 Å²	106.2	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-42	176.8	-64.5	165.1	0	0	0	110.3	I120 V121 L126 M127 A128	I120-I124 HydrophobicContact CG2-CD1 3.75Å; I120-I124 HydrophobicContact CG2-CG1 4.42Å; I120-I124 WeakPolarHBondContact O-CG1 3.2Å; I120-I124 PolarHBondContact O-N 2.98Å; V121-I124 PolarHBondContact O-N 2.69Å; I124-L126 VanDerWaalsContact C-N 3.32Å; I124-L126 PolarHBondContact O-N 3.07Å; I124-M127 PolarHBondContact O-N 3.31Å; I124-A128 PolarHBondContact O-N 3.2Å
125	S	74.7	Confident	70.7	Confident	62 Å²	62	107.3 Å²	107.3	43%	0.434	56%	0.559	S	S	.	*	H	α-helix	trans	-64.8	-37.1	179.2	-55.8	0	0	0	0	111.9	V121 G122 L123 A128 I129	V121-S125 WeakPolarHBondContact O-CB 3.03Å; V121-S125 PolarHBondContact O-N 2.61Å; V121-S125 PolarHBondContact O-OG 2.96Å; G122-S125 PolarHBondContact O-N 3.44Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 2.8Å; S125-A128 PolarHBondContact O-N 3.34Å; S125-I129 WeakPolarHBondContact O-CD1 3.08Å; S125-I129 WeakPolarHBondContact O-CG1 3.1Å; S125-I129 PolarHBondContact O-N 3.2Å
126	L	76.4	Confident	71	Confident	112 Å²	112	102.4 Å²	102.4	59%	0.586	55%	0.551	S	S	*	*	H	α-helix	trans	-67.6	-39.4	174.8	-171.9	65	0	0	0	112.1	G122 L123 I124 A128 I129	G122-L126 PolarHBondContact O-N 3.38Å; L123-L126 PolarHBondContact O-N 3.21Å; I124-L126 VanDerWaalsContact C-N 3.32Å; I124-L126 PolarHBondContact O-N 3.07Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 3.25Å; L126-I129 PolarHBondContact O-N 2.92Å
127	M	72.2	Confident	71.1	Confident	139 Å²	139	104.1 Å²	104.1	69%	0.685	56%	0.562	S	S	*	*	H	α-helix	trans	-69.8	-26.5	176.3	-69.3	-176.9	-173.2	0	0	113.2	L123 I124 I129	L123-M127 WeakPolarHBondContact O-CG 3.37Å; L123-M127 PolarHBondContact O-N 2.92Å; I124-M127 PolarHBondContact O-N 3.31Å; M127-I129 VanDerWaalsContact C-N 3.35Å
128	A	67.9	Low	71.1	Confident	81 Å²	81	103.2 Å²	103.2	67%	0.669	57%	0.566	S	S	*	*	H	α-helix	trans	-80.2	-14.7	179.2	0	0	0	0	0	113.9	I124 S125 L126	I124-A128 PolarHBondContact O-N 3.2Å; S125-A128 PolarHBondContact O-N 3.34Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 3.25Å
129	I	69.2	Low	71.1	Confident	142 Å²	142	99.8 Å²	99.8	73%	0.728	57%	0.566	S	S	*	*	H	α-helix	trans	-92.4	-19.7	178.9	-65.3	167.5	0	0	0	111.7	S125 L126 M127	S125-I129 WeakPolarHBondContact O-CD1 3.08Å; S125-I129 WeakPolarHBondContact O-CG1 3.1Å; S125-I129 PolarHBondContact O-N 3.2Å; L126-I129 PolarHBondContact O-N 2.92Å; M127-I129 VanDerWaalsContact C-N 3.35Å
130	N	49	Very low	70.9	Confident	195 Å²	195	97.6 Å²	97.6	100%	1.043	56%	0.562	S	S	*	*			trans	-92.9	0	172.3	-79.9	-7.9	0	0	0	111.7

Retrieved 130 of 130 residues in 44.9 ms (Link to these results)

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