A0A3Q0KK71_SCHMA Loading...

Smp_205050

AlphaFold DB , UniProt , Accession A0A3Q0KK71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 105 aa.

						>A0A3Q0KK71_SCHMA|A0A3Q0KK71
MYTYIYTYLIHIRHSSKQQQQQQQQINLHFNYTLTQIYKHPRNTEYNHTQYTTLHLRHNLKNKQTQIHIHTQVLRAHYQNTITVRNYSILNNQFIQSLNHSFIKV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	36.7	Very low	178 Å²	178	91.2 Å²	91.2	88%	0.877	44%	0.435	S	S	*	.				0	114.9	0	-177.1	166.8	164.6	0	0	106.1	T35 Q36	M1-T35 HydrophobicContact CE-CG2 4.02Å; M1-Q36 HydrophobicContact CE-CG 4.34Å
2	Y	32.4	Very low	36.9	Very low	195 Å²	195	84.3 Å²	84.3	77%	0.765	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-92.2	121.8	-176.7	-68.3	-76.9	0	0	0	109.3
3	T	33.4	Very low	36.9	Very low	78 Å²	78	89.8 Å²	89.8	48%	0.479	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-102.6	116	175.7	-56.3	0	0	0	0	107.4	T33 T35	T3-T33 HydrophobicContact CG2-CG2 3.28Å; T3-T35 HydrophobicContact CG2-CG2 4Å
4	Y	33.3	Very low	36.9	Very low	97 Å²	97	87.4 Å²	87.4	38%	0.38	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.2	177.4	-67.7	-89	0	0	0	109.9	Y6 L34 Y38	Y4-Y6 VanDerWaalsContact CB-CZ 3.46Å; Y4-Y6 HydrophobicContact CG-CE2 4.11Å; Y4-L34 PolarHBondContact O-N 3.18Å; Y4-Y38 HydrophobicContact CD2-CD2 4.45Å; Y4-Y38 HydrophobicContact CE2-CD2 4.19Å; Y4-Y38 HydrophobicContact CE2-CE2 4.35Å
5	I	34.4	Very low	36.9	Very low	110 Å²	110	86.7 Å²	86.7	56%	0.564	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.1	175.1	-54.8	174.9	0	0	0	106.6	N31 T33	I5-N31 HydrophobicContact CG2-CB 3.99Å; I5-T33 HydrophobicContact CG1-CG2 3.97Å
6	Y	38.4	Very low	37	Very low	52 Å²	52	86 Å²	86	20%	0.204	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.4	-177.1	-68.7	-75.1	0	0	0	111.3	Y4 N31 Y32 L34 V105	Y4-Y6 VanDerWaalsContact CB-CZ 3.46Å; Y4-Y6 HydrophobicContact CG-CE2 4.11Å; Y6-N31 CarbonylContact O-C 3.56Å; Y6-Y32 WeakPolarHBondContact CA-O 3.5Å; Y6-Y32 PolarHBondContact N-O 3.45Å; Y6-Y32 WeakPolarHBondContact O-CA 3.29Å; Y6-Y32 PolarHBondContact O-N 3.07Å; Y6-L34 HydrophobicContact CD2-CB 4.43Å; Y6-V105 HydrophobicContact CD1-CG1 4.01Å; Y6-V105 HydrophobicContact CD2-CG1 3.56Å; Y6-V105 HydrophobicContact CE1-CG1 3.68Å; Y6-V105 WeakPolarHBondContact CE1-OXT 3.43Å; Y6-V105 HydrophobicContact CE2-CG1 3.13Å; Y6-V105 HydrophobicContact CG-CG1 3.95Å; Y6-V105 WeakPolarHBondContact OH-CG1 3.47Å; Y6-V105 PolarHBondContact OH-OXT 3.34Å
7	T	35.6	Very low	37.2	Very low	83 Å²	83	93.7 Å²	93.7	51%	0.509	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.4	174.5	-43.2	0	0	0	0	109.6	H29 F30 N31	T7-H29 HydrophobicContact CG2-CB 4.11Å; T7-F30 CarbonylContact C-O 3.58Å; T7-F30 VanDerWaalsContact CA-O 3.29Å; T7-F30 WeakPolarHBondContact CA-O 3.18Å; T7-N31 WeakPolarHBondContact CB-OD1 3.43Å; T7-N31 WeakPolarHBondContact CG2-OD1 3.4Å; T7-N31 PolarHBondContact OG1-OD1 3.33Å
8	Y	40.9	Very low	37.1	Very low	27 Å²	27	95.8 Å²	95.8	11%	0.106	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.6	166.3	61	-104.9	0	0	0	111.4	I10 F30 Y32 T71 I103	Y8-I10 HydrophobicContact CD2-CD1 4.24Å; Y8-I10 HydrophobicContact CD2-CG1 3.85Å; Y8-I10 HydrophobicContact CE2-CD1 3.64Å; Y8-I10 HydrophobicContact CE2-CG1 3.79Å; Y8-F30 HydrophobicContact CE2-CB 4.01Å; Y8-F30 PolarHBondContact N-O 3.15Å; Y8-F30 PolarHBondContact O-N 3Å; Y8-Y32 HydrophobicContact CE1-CD1 4.16Å; Y8-Y32 AromaticContact CE1-CG 3.79Å; Y8-Y32 HydrophobicContact CE1-CG 3.79Å; Y8-T71 WeakPolarHBondContact OH-CB 3.45Å; Y8-T71 WeakPolarHBondContact OH-CG2 3.49Å; Y8-T71 PolarHBondContact OH-OG1 3.22Å; Y8-I103 HydrophobicContact CD1-CD1 4.3Å; Y8-I103 HydrophobicContact CG-CD1 4.26Å
9	L	36.7	Very low	36.7	Very low	77 Å²	77	100.1 Å²	100.1	40%	0.403	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.6	-172.3	-150.6	163.5	0	0	0	108.4	H11 N27 H29	L9-H11 WeakPolarHBondContact CD2-NE2 3.14Å; L9-N27 HydrophobicContact CD2-CB 4.21Å; L9-H29 WeakPolarHBondContact CD1-NE2 3.22Å; L9-H29 VanDerWaalsContact CG-CD2 3.49Å; L9-H29 WeakPolarHBondContact CG-CD2 3.49Å
10	I	40.2	Very low	36.7	Very low	10 Å²	10	105.5 Å²	105.5	5%	0.051	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.7	172	-63.1	-179.7	0	0	0	107.4	Y8 I12 L28 F30 I69 N86	Y8-I10 HydrophobicContact CD2-CD1 4.24Å; Y8-I10 HydrophobicContact CD2-CG1 3.85Å; Y8-I10 HydrophobicContact CE2-CD1 3.64Å; Y8-I10 HydrophobicContact CE2-CG1 3.79Å; I10-I12 HydrophobicContact CG2-CG1 3.94Å; I10-L28 PolarHBondContact N-O 3.5Å; I10-L28 PolarHBondContact O-N 3.25Å; I10-F30 HydrophobicContact CB-CD2 4.42Å; I10-F30 HydrophobicContact CB-CE2 4.43Å; I10-F30 HydrophobicContact CD1-CD2 4.1Å; I10-F30 HydrophobicContact CD1-CE2 4.39Å; I10-F30 HydrophobicContact CG1-CD2 4.3Å; I10-I69 HydrophobicContact CD1-CG2 4.03Å; I10-N86 HydrophobicContact CD1-CB 4.29Å
11	H	39.3	Very low	36.6	Very low	96 Å²	96	108.9 Å²	108.9	44%	0.444	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.7	170.9	-73.7	-81.8	0	0	0	109.8	L9 N27	L9-H11 WeakPolarHBondContact CD2-NE2 3.14Å; H11-N27 PolarHBondContact CE1-OD1 2.76Å; H11-N27 VanDerWaalsContact CE1-OD1 3.25Å; H11-N27 PolarHBondContact ND1-OD1 3.21Å
12	I	39.2	Very low	36.5	Very low	8 Å²	8	108.8 Å²	108.8	4%	0.041	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	110.3	171.2	-56.1	-173.7	0	0	0	107.8	I10 H14 I26 L28 I67 I69	I10-I12 HydrophobicContact CG2-CG1 3.94Å; I12-H14 PolarHBondContact O-N 2.85Å; I12-I26 PolarHBondContact N-O 3.32Å; I12-I26 PolarHBondContact O-N 2.76Å; I12-L28 HydrophobicContact CD1-CD1 3.66Å; I12-L28 HydrophobicContact CG1-CD1 4.28Å; I12-I67 HydrophobicContact CD1-CG2 4.45Å; I12-I69 HydrophobicContact CD1-CD1 3.49Å; I12-I69 VanDerWaalsContact CD1-CD1 3.49Å; I12-I69 HydrophobicContact CD1-CG1 3.86Å
13	R	36.7	Very low	37	Very low	156 Å²	156	106 Å²	106	59%	0.589	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	100.8	170.4	-90.3	-176.7	170.3	171.1	-2.8	108.7	Q25	R13-Q25 HydrophobicContact CG-CG 4.42Å
14	H	37.3	Very low	37.4	Very low	57 Å²	57	107.3 Å²	107.3	26%	0.264	51%	0.512	S	S	.	.			trans	-90.9	108.3	171.7	-168	-89.5	0	0	0	109.6	I12 L90	I12-H14 PolarHBondContact O-N 2.85Å; H14-L90 WeakPolarHBondContact NE2-CD2 3.2Å
15	S	37.4	Very low	37.8	Very low	77 Å²	77	107.7 Å²	107.7	54%	0.538	52%	0.518	S	S	.	.			trans	-102.6	102.1	172	-68.2	0	0	0	0	109.5	Q23	S15-Q23 PolarHBondContact OG-NE2 3.3Å
16	S	38	Very low	38.2	Very low	75 Å²	75	104.1 Å²	104.1	52%	0.524	50%	0.499	S	S	.	.			trans	-80.5	128.5	168.2	158.8	0	0	0	0	109	Q18	S16-Q18 PolarHBondContact O-N 2.94Å; S16-Q18 VanDerWaalsContact O-N 3.07Å; S16-Q18 PolarHBondContact OG-N 3.1Å
17	K	40	Very low	38.4	Very low	217 Å²	217	106.1 Å²	106.1	94%	0.943	51%	0.513	S	S	*	.			trans	-70.9	11.1	175.3	-83.1	-170.6	177.3	-178.4	0	114.4	Q19	K17-Q19 PolarHBondContact O-N 2.71Å
18	Q	35.2	Very low	38.7	Very low	132 Å²	132	103.1 Å²	103.1	62%	0.617	49%	0.494	S	S	*	.	S	Bend	trans	-87.7	95	175.4	-71.7	-171.2	-22.7	0	0	110.7	S16	S16-Q18 PolarHBondContact O-N 2.94Å; S16-Q18 VanDerWaalsContact O-N 3.07Å; S16-Q18 PolarHBondContact OG-N 3.1Å
19	Q	31.3	Very low	38.8	Very low	177 Å²	177	108 Å²	108	83%	0.827	52%	0.518	S	S	*	.	S	Bend	trans	52.9	101.9	153.9	-67.8	176	-17.9	0	0	117.4	K17 Q21	K17-Q19 PolarHBondContact O-N 2.71Å; Q19-Q21 PolarHBondContact O-N 2.93Å
20	Q	35.6	Very low	39.2	Very low	207 Å²	207	105.4 Å²	105.4	97%	0.967	50%	0.503	S	S	*	.	S	Bend	trans	46.5	3.1	146.4	-89.6	-178.8	-4	0	0	122.3
21	Q	34.4	Very low	39.3	Very low	178 Å²	178	109.7 Å²	109.7	83%	0.832	53%	0.526	S	S	*	.	S	Bend	trans	-130.8	118.7	-179.6	-74.1	-178.7	-2	0	0	112.5	Q19	Q19-Q21 PolarHBondContact O-N 2.93Å
22	Q	37	Very low	39.7	Very low	175 Å²	175	105.4 Å²	105.4	82%	0.818	51%	0.506	S	S	*	.			trans	48.4	108	165.3	-73.6	177.5	-0.4	0	0	117.1	Q24	Q22-Q24 PolarHBondContact O-N 2.85Å
23	Q	43.1	Very low	40	Very low	138 Å²	138	107.6 Å²	107.6	65%	0.645	52%	0.52	S	S	*	.			trans	-56.6	103.4	155.2	-84.5	179.3	-8.3	0	0	108.6	S15 Q25	S15-Q23 PolarHBondContact OG-NE2 3.3Å; Q23-Q25 PolarHBondContact O-N 3.24Å
24	Q	40.8	Very low	40.6	Very low	104 Å²	104	101 Å²	101	49%	0.486	50%	0.497	S	S	.	.			trans	-74.1	108.1	168.4	-80.5	-176.7	-3	0	0	108.3	Q22	Q22-Q24 PolarHBondContact O-N 2.85Å
25	Q	42.1	Very low	40.9	Very low	106 Å²	106	101.1 Å²	101.1	50%	0.495	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.8	173.4	-153.5	171.1	4.3	0	0	107.9	R13 Q23	R13-Q25 HydrophobicContact CG-CG 4.42Å; Q23-Q25 PolarHBondContact O-N 3.24Å
26	I	43.5	Very low	41.1	Very low	35 Å²	35	103 Å²	103	18%	0.179	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.1	179.1	-57.8	178.5	0	0	0	106.8	I12 L28 L56	I12-I26 PolarHBondContact N-O 3.32Å; I12-I26 PolarHBondContact O-N 2.76Å; I26-L28 HydrophobicContact CG2-CD2 4.07Å; I26-L28 HydrophobicContact CG2-CG 4.09Å; I26-L56 HydrophobicContact CD1-CD1 3.36Å; I26-L56 HydrophobicContact CD1-CD2 3.89Å; I26-L56 HydrophobicContact CD1-CG 4.21Å; I26-L56 HydrophobicContact CG2-CD2 3.94Å
27	N	41.4	Very low	41.5	Very low	94 Å²	94	100.5 Å²	100.5	50%	0.503	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121	177.2	-67.8	-20.3	0	0	0	108.6	L9 H11	L9-N27 HydrophobicContact CD2-CB 4.21Å; H11-N27 PolarHBondContact CE1-OD1 2.76Å; H11-N27 VanDerWaalsContact CE1-OD1 3.25Å; H11-N27 PolarHBondContact ND1-OD1 3.21Å
28	L	43.1	Very low	41.8	Very low	19 Å²	19	96.6 Å²	96.6	10%	0.099	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.7	180	-64.2	168.2	0	0	0	109.9	I10 I12 I26 F30 L54 I69	I10-L28 PolarHBondContact N-O 3.5Å; I10-L28 PolarHBondContact O-N 3.25Å; I12-L28 HydrophobicContact CD1-CD1 3.66Å; I12-L28 HydrophobicContact CG1-CD1 4.28Å; I26-L28 HydrophobicContact CG2-CD2 4.07Å; I26-L28 HydrophobicContact CG2-CG 4.09Å; L28-F30 HydrophobicContact CB-CD2 4.21Å; L28-F30 HydrophobicContact CB-CE2 3.43Å; L28-F30 VanDerWaalsContact CB-CE2 3.43Å; L28-F30 HydrophobicContact CB-CZ 3.82Å; L28-F30 HydrophobicContact CD1-CE2 4.07Å; L28-F30 HydrophobicContact CD1-CZ 4Å; L28-F30 HydrophobicContact CG-CE2 4.36Å; L28-F30 HydrophobicContact CG-CZ 4.41Å; L28-L54 HydrophobicContact CD1-CD1 4.08Å; L28-L54 HydrophobicContact CD1-CD2 3.35Å; L28-L54 HydrophobicContact CD1-CG 4.19Å; L28-L54 HydrophobicContact CD2-CD1 3.27Å; L28-L54 HydrophobicContact CD2-CD2 3.75Å; L28-L54 HydrophobicContact CD2-CG 4.09Å; L28-L54 HydrophobicContact CG-CD1 4.28Å; L28-L54 HydrophobicContact CG-CD2 4.12Å; L28-I69 HydrophobicContact CD1-CD1 3.48Å; L28-I69 VanDerWaalsContact CD1-CD1 3.48Å
29	H	42.4	Very low	42.3	Very low	131 Å²	131	100 Å²	100	61%	0.606	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	124.8	168.8	-85.5	148.7	0	0	0	109.5	T7 L9	T7-H29 HydrophobicContact CG2-CB 4.11Å; L9-H29 WeakPolarHBondContact CD1-NE2 3.22Å; L9-H29 VanDerWaalsContact CG-CD2 3.49Å; L9-H29 WeakPolarHBondContact CG-CD2 3.49Å
30	F	45.3	Very low	43.1	Very low	22 Å²	22	96.2 Å²	96.2	10%	0.096	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.8	171.4	-67.3	-73.4	0	0	0	109.7	T7 Y8 I10 L28 T52 I69	T7-F30 CarbonylContact C-O 3.58Å; T7-F30 VanDerWaalsContact CA-O 3.29Å; T7-F30 WeakPolarHBondContact CA-O 3.18Å; Y8-F30 HydrophobicContact CE2-CB 4.01Å; Y8-F30 PolarHBondContact N-O 3.15Å; Y8-F30 PolarHBondContact O-N 3Å; I10-F30 HydrophobicContact CB-CD2 4.42Å; I10-F30 HydrophobicContact CB-CE2 4.43Å; I10-F30 HydrophobicContact CD1-CD2 4.1Å; I10-F30 HydrophobicContact CD1-CE2 4.39Å; I10-F30 HydrophobicContact CG1-CD2 4.3Å; L28-F30 HydrophobicContact CB-CD2 4.21Å; L28-F30 HydrophobicContact CB-CE2 3.43Å; L28-F30 VanDerWaalsContact CB-CE2 3.43Å; L28-F30 HydrophobicContact CB-CZ 3.82Å; L28-F30 HydrophobicContact CD1-CE2 4.07Å; L28-F30 HydrophobicContact CD1-CZ 4Å; L28-F30 HydrophobicContact CG-CE2 4.36Å; L28-F30 HydrophobicContact CG-CZ 4.41Å; F30-T52 HydrophobicContact CD1-CG2 3.7Å; F30-T52 HydrophobicContact CE1-CG2 3.3Å; F30-T52 HydrophobicContact CZ-CG2 4.39Å; F30-I69 HydrophobicContact CE1-CD1 4.47Å; F30-I69 HydrophobicContact CE2-CD1 3.71Å; F30-I69 HydrophobicContact CE2-CG2 4.36Å; F30-I69 HydrophobicContact CZ-CD1 3.38Å
31	N	43.1	Very low	43.9	Very low	100 Å²	100	90.9 Å²	90.9	54%	0.535	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108.1	170.3	-72.9	-20.4	0	0	0	108.5	I5 Y6 T7	I5-N31 HydrophobicContact CG2-CB 3.99Å; Y6-N31 CarbonylContact O-C 3.56Å; T7-N31 WeakPolarHBondContact CB-OD1 3.43Å; T7-N31 WeakPolarHBondContact CG2-OD1 3.4Å; T7-N31 PolarHBondContact OG1-OD1 3.33Å
32	Y	46.7	Very low	44.9	Very low	5 Å²	5	90.6 Å²	90.6	2%	0.02	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.4	177.7	-172.7	-117.8	0	0	0	110.1	Y6 Y8 L34 H48 Q50 V73 I82	Y6-Y32 WeakPolarHBondContact CA-O 3.5Å; Y6-Y32 PolarHBondContact N-O 3.45Å; Y6-Y32 WeakPolarHBondContact O-CA 3.29Å; Y6-Y32 PolarHBondContact O-N 3.07Å; Y8-Y32 HydrophobicContact CE1-CD1 4.16Å; Y8-Y32 AromaticContact CE1-CG 3.79Å; Y8-Y32 HydrophobicContact CE1-CG 3.79Å; Y32-L34 HydrophobicContact CD1-CB 4.34Å; Y32-L34 HydrophobicContact CD1-CD1 3.74Å; Y32-L34 HydrophobicContact CD1-CG 3.87Å; Y32-L34 HydrophobicContact CE1-CB 4.14Å; Y32-L34 HydrophobicContact CE1-CD1 3.23Å; Y32-L34 HydrophobicContact CE1-CD2 4.24Å; Y32-L34 HydrophobicContact CE1-CG 3.23Å; Y32-H48 PolarHBondContact OH-CD2 3.31Å; Y32-Q50 HydrophobicContact CD2-CB 4.39Å; Y32-Q50 HydrophobicContact CE2-CB 3.96Å; Y32-V73 HydrophobicContact CE1-CG2 3.41Å; Y32-V73 VanDerWaalsContact CE1-CG2 3.41Å; Y32-V73 HydrophobicContact CE2-CG2 4.46Å; Y32-V73 VanDerWaalsContact CZ-CG2 3.45Å; Y32-V73 WeakPolarHBondContact OH-CG2 3.31Å; Y32-I82 HydrophobicContact CE1-CD1 4.46Å
33	T	45.4	Very low	45.8	Very low	55 Å²	55	86.6 Å²	86.6	34%	0.337	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	101.1	-179.2	-50.9	0	0	0	0	108.7	T3 I5 T35	T3-T33 HydrophobicContact CG2-CG2 3.28Å; I5-T33 HydrophobicContact CG1-CG2 3.97Å; T33-T35 PolarHBondContact O-N 3.38Å
34	L	49.2	Very low	46.6	Very low	18 Å²	18	82 Å²	82	9%	0.094	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	85.8	178	-115.9	164.4	0	0	0	109.2	Y4 Y6 Y32 Q36 I37 I82	Y4-L34 PolarHBondContact O-N 3.18Å; Y6-L34 HydrophobicContact CD2-CB 4.43Å; Y32-L34 HydrophobicContact CD1-CB 4.34Å; Y32-L34 HydrophobicContact CD1-CD1 3.74Å; Y32-L34 HydrophobicContact CD1-CG 3.87Å; Y32-L34 HydrophobicContact CE1-CB 4.14Å; Y32-L34 HydrophobicContact CE1-CD1 3.23Å; Y32-L34 HydrophobicContact CE1-CD2 4.24Å; Y32-L34 HydrophobicContact CE1-CG 3.23Å; L34-Q36 PolarHBondContact O-N 3.39Å; L34-I37 HydrophobicContact CB-CD1 4.46Å; L34-I37 HydrophobicContact CD1-CD1 3.4Å; L34-I37 HydrophobicContact CD1-CG1 4.29Å; L34-I37 HydrophobicContact CD2-CD1 3.57Å; L34-I37 HydrophobicContact CD2-CG1 3.54Å; L34-I37 HydrophobicContact CG-CD1 3.94Å; L34-I37 HydrophobicContact CG-CG1 4.32Å; L34-I82 HydrophobicContact CD1-CD1 3.6Å; L34-I82 HydrophobicContact CD1-CG2 3.96Å
35	T	43.4	Very low	47.5	Very low	58 Å²	58	83.8 Å²	83.8	36%	0.356	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.1	-166.4	-45.3	0	0	0	0	114	M1 T3 T33	M1-T35 HydrophobicContact CE-CG2 4.02Å; T3-T35 HydrophobicContact CG2-CG2 4Å; T33-T35 PolarHBondContact O-N 3.38Å
36	Q	41.6	Very low	48.5	Very low	118 Å²	118	81 Å²	81	55%	0.551	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.7	26.1	-164.9	-70.6	-172.3	-33.1	0	0	118.9	M1 L34 Y38 H40	M1-Q36 HydrophobicContact CE-CG 4.34Å; L34-Q36 PolarHBondContact O-N 3.39Å; Q36-Y38 PolarHBondContact O-N 2.85Å; Q36-H40 PolarHBondContact O-CD2 2.79Å
37	I	47.8	Very low	49.4	Very low	21 Å²	21	85.8 Å²	85.8	11%	0.108	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-71.5	-31.7	177.5	-61.2	-180	0	0	0	112.8	L34 K39 H40 A76 I82	L34-I37 HydrophobicContact CB-CD1 4.46Å; L34-I37 HydrophobicContact CD1-CD1 3.4Å; L34-I37 HydrophobicContact CD1-CG1 4.29Å; L34-I37 HydrophobicContact CD2-CD1 3.57Å; L34-I37 HydrophobicContact CD2-CG1 3.54Å; L34-I37 HydrophobicContact CG-CD1 3.94Å; L34-I37 HydrophobicContact CG-CG1 4.32Å; I37-K39 PolarHBondContact O-N 3.47Å; I37-H40 PolarHBondContact O-N 2.58Å; I37-H40 VanDerWaalsContact O-N 3.07Å; I37-A76 HydrophobicContact CD1-CB 3.85Å; I37-A76 HydrophobicContact CG1-CB 4.12Å; I37-A76 HydrophobicContact CG2-CB 3.62Å; I37-I82 HydrophobicContact CD1-CG2 3.22Å
38	Y	45.2	Very low	50.3	Low	135 Å²	135	85.7 Å²	85.7	53%	0.529	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-65.6	-5.8	-166.2	-106.4	-81.9	0	0	0	116.4	Y4 Q36 N80	Y4-Y38 HydrophobicContact CD2-CD2 4.45Å; Y4-Y38 HydrophobicContact CE2-CD2 4.19Å; Y4-Y38 HydrophobicContact CE2-CE2 4.35Å; Q36-Y38 PolarHBondContact O-N 2.85Å; Y38-N80 VanDerWaalsContact CZ-OD1 3.3Å; Y38-N80 PolarHBondContact OH-ND2 2.87Å
39	K	47.1	Very low	51.2	Low	203 Å²	203	86.5 Å²	86.5	88%	0.883	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-115.3	2.1	175.7	-76.4	-167.3	175.3	-171.6	0	114.8	I37	I37-K39 PolarHBondContact O-N 3.47Å
40	H	48	Very low	52	Low	98 Å²	98	83.7 Å²	83.7	45%	0.454	41%	0.406	S	S	.	.	S	Bend	trans	-93.5	143	-173	-88.1	-82.5	0	0	0	113.7	Q36 I37 Y46	Q36-H40 PolarHBondContact O-CD2 2.79Å; I37-H40 PolarHBondContact O-N 2.58Å; I37-H40 VanDerWaalsContact O-N 3.07Å; H40-Y46 PolarHBondContact CD2-OH 2.78Å; H40-Y46 PolarHBondContact NE2-OH 2.84Å
41	P	51.9	Low	52.6	Low	96 Å²	96	89.7 Å²	89.7	62%	0.623	43%	0.429	S	S	*	.			trans	-60.4	153.9	179.2	23.3	-31.6	0	0	0	112.1	N43 T44	P41-N43 PolarHBondContact O-N 2.91Å; P41-T44 PolarHBondContact O-OG1 3Å
42	R	55.7	Low	53.3	Low	171 Å²	171	87.1 Å²	87.1	65%	0.645	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	128	-179	-89.9	178.6	-175	-174	8.9	111.5	Y78	R42-Y78 HydrophobicContact CB-CD2 4.38Å; R42-Y78 HydrophobicContact CG-CD2 3.12Å; R42-Y78 HydrophobicContact CG-CE2 3.18Å; R42-Y78 HydrophobicContact CG-CG 4.05Å; R42-Y78 VanDerWaalsContact CZ-CZ 3.46Å; R42-Y78 VanDerWaalsContact NE-CD2 3.32Å; R42-Y78 PolarHBondContact NE-OH 3.48Å; R42-Y78 PolarHBondContact NH2-OH 3.3Å
43	N	55.4	Low	53.6	Low	91 Å²	91	90 Å²	90	49%	0.487	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	52.2	172.3	-61.7	-7.8	0	0	0	114.8	P41 A76	P41-N43 PolarHBondContact O-N 2.91Å; N43-A76 WeakPolarHBondContact CA-O 3.22Å
44	T	58.9	Low	54.1	Low	42 Å²	42	88.8 Å²	88.8	26%	0.258	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.8	171.8	-47.6	0	0	0	0	109.6	P41 Y46 A76	P41-T44 PolarHBondContact O-OG1 3Å; T44-Y46 HydrophobicContact CG2-CE2 4.42Å; T44-Y46 PolarHBondContact O-N 2.7Å; T44-A76 PolarHBondContact O-N 2.95Å
45	E	61.6	Low	54.4	Low	141 Å²	141	92.5 Å²	92.5	66%	0.659	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.7	170	-71.9	-176.3	174.6	0	0	109.5	R75	E45-R75 IonicContact OE1-CZ 3.81Å; E45-R75 IonicContact OE1-NH2 2.78Å; E45-R75 PolarHBondContact OE1-NH2 3.03Å
46	Y	62.1	Low	54.9	Low	49 Å²	49	91.1 Å²	91.1	19%	0.192	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.8	173	-87	-90.3	0	0	0	106.7	H40 T44 V73 L74 A76	H40-Y46 PolarHBondContact CD2-OH 2.78Å; H40-Y46 PolarHBondContact NE2-OH 2.84Å; T44-Y46 HydrophobicContact CG2-CE2 4.42Å; T44-Y46 PolarHBondContact O-N 2.7Å; Y46-V73 CarbonylContact C-O 3.52Å; Y46-V73 CarbonylContact O-C 3.55Å; Y46-L74 PolarHBondContact N-O 2.87Å; Y46-L74 CarbonylContact O-C 3.5Å; Y46-L74 WeakPolarHBondContact O-CA 3.3Å; Y46-A76 HydrophobicContact CD2-CB 3.82Å; Y46-A76 HydrophobicContact CE2-CB 3.84Å
47	N	62.1	Low	55	Low	134 Å²	134	93 Å²	93	72%	0.717	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	72.4	169.9	-160.9	0.8	0	0	0	108.2	Q72	N47-Q72 PolarHBondContact OD1-NE2 2.79Å
48	H	61.3	Low	55.1	Low	92 Å²	92	95 Å²	95	43%	0.426	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.3	178.1	-175.3	85.8	0	0	0	109.5	Y32 Q72 V73	Y32-H48 PolarHBondContact OH-CD2 3.31Å; H48-Q72 WeakPolarHBondContact O-CA 3.34Å; H48-V73 PolarHBondContact N-O 2.67Å; H48-V73 PolarHBondContact O-N 3.5Å
49	T	60.6	Low	55	Low	36 Å²	36	95.6 Å²	95.6	22%	0.221	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.7	178.4	-53	0	0	0	0	109	Y51 Q72	T49-Y51 HydrophobicContact CG2-CD2 4.34Å; T49-Y51 HydrophobicContact CG2-CE1 4.07Å; T49-Y51 HydrophobicContact CG2-CE2 3.76Å; T49-Q72 HydrophobicContact CG2-CB 4.35Å; T49-Q72 WeakPolarHBondContact OG1-CG 3.49Å
50	Q	59.7	Low	55	Low	72 Å²	72	94 Å²	94	34%	0.336	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.4	169.2	-155.4	173.2	-17.6	0	0	109.4	Y32 T71	Y32-Q50 HydrophobicContact CD2-CB 4.39Å; Y32-Q50 HydrophobicContact CE2-CB 3.96Å; Q50-T71 PolarHBondContact N-O 2.76Å; Q50-T71 PolarHBondContact O-N 3.07Å
51	Y	57.3	Low	55.4	Low	149 Å²	149	95.6 Å²	95.6	58%	0.584	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.6	179.3	-59.9	-93.1	0	0	0	107.9	T49 H70	T49-Y51 HydrophobicContact CG2-CD2 4.34Å; T49-Y51 HydrophobicContact CG2-CE1 4.07Å; T49-Y51 HydrophobicContact CG2-CE2 3.76Å; Y51-H70 AromaticContact CD1-CE1 3.35Å; Y51-H70 WeakPolarHBondContact CD1-CE1 3.47Å; Y51-H70 AromaticContact CD1-CG 3.96Å; Y51-H70 AromaticContact CD1-ND1 3.1Å; Y51-H70 WeakPolarHBondContact CD1-ND1 3.47Å; Y51-H70 AromaticContact CE1-CE1 3.43Å; Y51-H70 VanDerWaalsContact CE1-CE1 3.43Å; Y51-H70 WeakPolarHBondContact CE1-CE1 3.18Å; Y51-H70 AromaticContact CE1-ND1 3.05Å; Y51-H70 WeakPolarHBondContact CE1-ND1 3.04Å
52	T	58.8	Low	55.6	Low	45 Å²	45	96.7 Å²	96.7	28%	0.276	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.3	171.5	-49.7	0	0	0	0	110.2	F30 I69	F30-T52 HydrophobicContact CD1-CG2 3.7Å; F30-T52 HydrophobicContact CE1-CG2 3.3Å; F30-T52 HydrophobicContact CZ-CG2 4.39Å; T52-I69 PolarHBondContact N-O 2.83Å; T52-I69 PolarHBondContact O-N 2.81Å; T52-I69 VanDerWaalsContact O-O 3.11Å
53	T	52.1	Low	55.4	Low	66 Å²	66	95.2 Å²	95.2	41%	0.405	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.5	177.1	-52.2	0	0	0	0	108.9	H55 Q66	T53-H55 WeakPolarHBondContact CG2-NE2 2.83Å; T53-Q66 HydrophobicContact CG2-CG 3.76Å
54	L	56.8	Low	55.5	Low	29 Å²	29	96.4 Å²	96.4	15%	0.152	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.9	173.6	-174.2	84.4	0	0	0	109.7	L28 L56 I67 I69	L28-L54 HydrophobicContact CD1-CD1 4.08Å; L28-L54 HydrophobicContact CD1-CD2 3.35Å; L28-L54 HydrophobicContact CD1-CG 4.19Å; L28-L54 HydrophobicContact CD2-CD1 3.27Å; L28-L54 HydrophobicContact CD2-CD2 3.75Å; L28-L54 HydrophobicContact CD2-CG 4.09Å; L28-L54 HydrophobicContact CG-CD1 4.28Å; L28-L54 HydrophobicContact CG-CD2 4.12Å; L54-L56 HydrophobicContact CD2-CD1 3.7Å; L54-L56 HydrophobicContact CD2-CD2 3.77Å; L54-L56 HydrophobicContact CD2-CG 3.51Å; L54-L56 HydrophobicContact CG-CD2 4.35Å; L54-L56 HydrophobicContact CG-CG 4.14Å; L54-I67 HydrophobicContact CB-CB 4.44Å; L54-I67 HydrophobicContact CD2-CB 4.49Å; L54-I67 PolarHBondContact N-O 3.35Å; L54-I67 PolarHBondContact O-N 2.81Å; L54-I69 HydrophobicContact CB-CD1 4.25Å
55	H	54.5	Low	55.5	Low	96 Å²	96	95.7 Å²	95.7	44%	0.444	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.6	170.6	-65.1	-90.3	0	0	0	109.4	T53 Q64 Q66	T53-H55 WeakPolarHBondContact CG2-NE2 2.83Å; H55-Q64 PolarHBondContact ND1-NE2 3.37Å; H55-Q66 PolarHBondContact CE1-OE1 2.79Å; H55-Q66 VanDerWaalsContact CE1-OE1 3.32Å
56	L	55.3	Low	55.4	Low	30 Å²	30	92.6 Å²	92.6	16%	0.157	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.8	173.6	-67.4	164.9	0	0	0	109	I26 L54 Q64 T65 I67	I26-L56 HydrophobicContact CD1-CD1 3.36Å; I26-L56 HydrophobicContact CD1-CD2 3.89Å; I26-L56 HydrophobicContact CD1-CG 4.21Å; I26-L56 HydrophobicContact CG2-CD2 3.94Å; L54-L56 HydrophobicContact CD2-CD1 3.7Å; L54-L56 HydrophobicContact CD2-CD2 3.77Å; L54-L56 HydrophobicContact CD2-CG 3.51Å; L54-L56 HydrophobicContact CG-CD2 4.35Å; L54-L56 HydrophobicContact CG-CG 4.14Å; L56-Q64 CarbonylContact O-C 3.57Å; L56-Q64 WeakPolarHBondContact O-CA 3.49Å; L56-T65 PolarHBondContact N-O 2.87Å; L56-T65 PolarHBondContact O-N 2.84Å; L56-I67 HydrophobicContact CD1-CD1 3.47Å; L56-I67 VanDerWaalsContact CD1-CD1 3.47Å; L56-I67 HydrophobicContact CD1-CG1 4.2Å
57	R	43.9	Very low	55.4	Low	158 Å²	158	90.4 Å²	90.4	60%	0.596	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.5	173.4	-166.3	171.4	-175.6	136.5	0.3	109.1	N59 N62	R57-N59 PolarHBondContact O-N 3.09Å; R57-N62 PolarHBondContact NH2-OD1 2.98Å
58	H	49.7	Very low	55.3	Low	61 Å²	61	87 Å²	87	28%	0.282	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	105.4	173	-76.9	-82.1	0	0	0	109.4	L60 K61 N62 K63	H58-L60 PolarHBondContact O-N 3.25Å; H58-K61 PolarHBondContact O-N 3.21Å; H58-N62 PolarHBondContact O-N 2.91Å; H58-N62 VanDerWaalsContact O-N 3.15Å; H58-K63 PolarHBondContact N-O 3Å
59	N	41.6	Very low	55.4	Low	149 Å²	149	82.6 Å²	82.6	80%	0.797	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.4	179.9	-81.7	-11.8	0	0	0	113.2	R57 K61	R57-N59 PolarHBondContact O-N 3.09Å; N59-K61 PolarHBondContact O-N 3.24Å
60	L	48.8	Very low	55.6	Low	169 Å²	169	81.9 Å²	81.9	89%	0.885	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-23.4	-175.9	-71.7	164.7	0	0	0	114.5	H58	H58-L60 PolarHBondContact O-N 3.25Å
61	K	56.5	Low	55.7	Low	131 Å²	131	78.5 Å²	78.5	57%	0.57	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	1.1	-176.2	-67.6	-172.3	179.9	-179.3	0	113.2	H58 N59 K63	H58-K61 PolarHBondContact O-N 3.21Å; N59-K61 PolarHBondContact O-N 3.24Å; K61-K63 HydrophobicContact CB-CB 4.18Å; K61-K63 HydrophobicContact CB-CD 4.38Å; K61-K63 HydrophobicContact CB-CG 4.25Å; K61-K63 PolarHBondContact O-N 2.62Å
62	N	55.9	Low	56.1	Low	119 Å²	119	73.1 Å²	73.1	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.2	33.2	-168	-148.3	14	0	0	0	112.5	R57 H58	R57-N62 PolarHBondContact NH2-OD1 2.98Å; H58-N62 PolarHBondContact O-N 2.91Å; H58-N62 VanDerWaalsContact O-N 3.15Å
63	K	51	Low	56.5	Low	141 Å²	141	71 Å²	71	61%	0.613	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.2	-179.3	-81.6	-176.3	178.9	-172.8	0	108.5	H58 K61	H58-K63 PolarHBondContact N-O 3Å; K61-K63 HydrophobicContact CB-CB 4.18Å; K61-K63 HydrophobicContact CB-CD 4.38Å; K61-K63 HydrophobicContact CB-CG 4.25Å; K61-K63 PolarHBondContact O-N 2.62Å
64	Q	56.5	Low	57.2	Low	116 Å²	116	70 Å²	70	54%	0.542	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.1	171.8	-169	171.8	-10.8	0	0	108.5	H55 L56	H55-Q64 PolarHBondContact ND1-NE2 3.37Å; L56-Q64 CarbonylContact O-C 3.57Å; L56-Q64 WeakPolarHBondContact O-CA 3.49Å
65	T	60.3	Low	57.6	Low	27 Å²	27	72.7 Å²	72.7	17%	0.166	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116.4	179.9	-56.4	0	0	0	0	106.8	L56 L90	L56-T65 PolarHBondContact N-O 2.87Å; L56-T65 PolarHBondContact O-N 2.84Å; T65-L90 HydrophobicContact CG2-CD1 3.2Å
66	Q	59.7	Low	57.9	Low	76 Å²	76	68.4 Å²	68.4	36%	0.355	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.8	179.8	-172	170.4	-21.3	0	0	109.2	T53 H55 H68 L90	T53-Q66 HydrophobicContact CG2-CG 3.76Å; H55-Q66 PolarHBondContact CE1-OE1 2.79Å; H55-Q66 VanDerWaalsContact CE1-OE1 3.32Å; Q66-H68 PolarHBondContact NE2-NE2 2.89Å; Q66-L90 WeakPolarHBondContact O-CD1 3.38Å
67	I	61.3	Low	58.1	Low	2 Å²	2	68.7 Å²	68.7	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.7	175.7	-54.9	-176.9	0	0	0	107.4	I12 L54 L56 I69 I89 L90 I95	I12-I67 HydrophobicContact CD1-CG2 4.45Å; L54-I67 HydrophobicContact CB-CB 4.44Å; L54-I67 HydrophobicContact CD2-CB 4.49Å; L54-I67 PolarHBondContact N-O 3.35Å; L54-I67 PolarHBondContact O-N 2.81Å; L56-I67 HydrophobicContact CD1-CD1 3.47Å; L56-I67 VanDerWaalsContact CD1-CD1 3.47Å; L56-I67 HydrophobicContact CD1-CG1 4.2Å; I67-I69 HydrophobicContact CG2-CG1 4.04Å; I67-I89 CarbonylContact C-O 3.57Å; I67-I89 WeakPolarHBondContact CA-O 3.18Å; I67-L90 HydrophobicContact CG1-CD1 4.07Å; I67-I95 HydrophobicContact CG2-CD1 4.49Å
68	H	60.3	Low	58.6	Low	62 Å²	62	67.6 Å²	67.6	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.4	172.5	-65.6	-131.5	0	0	0	107.8	Q66 S88 I89	Q66-H68 PolarHBondContact NE2-NE2 2.89Å; H68-S88 CarbonylContact O-C 3.55Å; H68-S88 VanDerWaalsContact O-CA 3.3Å; H68-S88 WeakPolarHBondContact O-CA 3.49Å; H68-I89 HydrophobicContact CB-CB 4.25Å; H68-I89 PolarHBondContact N-O 2.82Å; H68-I89 PolarHBondContact O-N 2.96Å
69	I	62.7	Low	59.3	Low	1 Å²	1	71.9 Å²	71.9	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.1	178.3	-62	159.1	0	0	0	106.7	I10 I12 L28 F30 T52 L54 I67	I10-I69 HydrophobicContact CD1-CG2 4.03Å; I12-I69 HydrophobicContact CD1-CD1 3.49Å; I12-I69 VanDerWaalsContact CD1-CD1 3.49Å; I12-I69 HydrophobicContact CD1-CG1 3.86Å; L28-I69 HydrophobicContact CD1-CD1 3.48Å; L28-I69 VanDerWaalsContact CD1-CD1 3.48Å; F30-I69 HydrophobicContact CE1-CD1 4.47Å; F30-I69 HydrophobicContact CE2-CD1 3.71Å; F30-I69 HydrophobicContact CE2-CG2 4.36Å; F30-I69 HydrophobicContact CZ-CD1 3.38Å; T52-I69 PolarHBondContact N-O 2.83Å; T52-I69 PolarHBondContact O-N 2.81Å; T52-I69 VanDerWaalsContact O-O 3.11Å; L54-I69 HydrophobicContact CB-CD1 4.25Å; I67-I69 HydrophobicContact CG2-CG1 4.04Å
70	H	64.3	Low	60.2	Low	20 Å²	20	66.6 Å²	66.6	9%	0.093	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.1	-178.3	-63.9	-118.9	0	0	0	107.6	Y51 N86 Y87	Y51-H70 AromaticContact CD1-CE1 3.35Å; Y51-H70 WeakPolarHBondContact CD1-CE1 3.47Å; Y51-H70 AromaticContact CD1-CG 3.96Å; Y51-H70 AromaticContact CD1-ND1 3.1Å; Y51-H70 WeakPolarHBondContact CD1-ND1 3.47Å; Y51-H70 AromaticContact CE1-CE1 3.43Å; Y51-H70 VanDerWaalsContact CE1-CE1 3.43Å; Y51-H70 WeakPolarHBondContact CE1-CE1 3.18Å; Y51-H70 AromaticContact CE1-ND1 3.05Å; Y51-H70 WeakPolarHBondContact CE1-ND1 3.04Å; H70-N86 CarbonylContact O-C 3.5Å; H70-N86 VanDerWaalsContact O-CA 3.29Å; H70-N86 WeakPolarHBondContact O-CA 3.05Å; H70-Y87 HydrophobicContact CB-CD1 3.78Å; H70-Y87 HydrophobicContact CB-CD2 3.64Å; H70-Y87 HydrophobicContact CB-CE1 3.42Å; H70-Y87 VanDerWaalsContact CB-CE1 3.42Å; H70-Y87 HydrophobicContact CB-CE2 3.28Å; H70-Y87 HydrophobicContact CB-CG 3.88Å; H70-Y87 AromaticContact CD2-CD2 3.89Å; H70-Y87 AromaticContact CD2-CE2 3.54Å; H70-Y87 AromaticContact CE1-CE2 3.9Å; H70-Y87 AromaticContact CG-CD2 3.75Å; H70-Y87 AromaticContact CG-CE2 3.13Å; H70-Y87 AromaticContact CG-CZ 3.37Å; H70-Y87 PolarHBondContact N-O 3.28Å; H70-Y87 AromaticContact ND1-CE2 3.36Å; H70-Y87 WeakPolarHBondContact ND1-CE2 3.15Å; H70-Y87 AromaticContact ND1-CZ 3.42Å; H70-Y87 PolarHBondContact ND1-OH 3.48Å; H70-Y87 VanDerWaalsContact ND1-OH 3.07Å; H70-Y87 PolarHBondContact O-N 3.44Å
71	T	63	Low	60.6	Low	2 Å²	2	60 Å²	60	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.7	174.6	-56.5	0	0	0	0	109.1	Y8 Q50 V84 N86	Y8-T71 WeakPolarHBondContact OH-CB 3.45Å; Y8-T71 WeakPolarHBondContact OH-CG2 3.49Å; Y8-T71 PolarHBondContact OH-OG1 3.22Å; Q50-T71 PolarHBondContact N-O 2.76Å; Q50-T71 PolarHBondContact O-N 3.07Å; T71-V84 HydrophobicContact CG2-CB 4.18Å; T71-V84 HydrophobicContact CG2-CG1 3.93Å; T71-N86 WeakPolarHBondContact CA-OD1 3.35Å; T71-N86 WeakPolarHBondContact CB-OD1 3.05Å; T71-N86 WeakPolarHBondContact CG2-OD1 3.26Å; T71-N86 PolarHBondContact OG1-OD1 2.91Å
72	Q	65.7	Low	60.9	Low	36 Å²	36	53.9 Å²	53.9	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.9	175	-174.1	178.4	11.6	0	0	109	N47 H48 T49 L74 V84 R85	N47-Q72 PolarHBondContact OD1-NE2 2.79Å; H48-Q72 WeakPolarHBondContact O-CA 3.34Å; T49-Q72 HydrophobicContact CG2-CB 4.35Å; T49-Q72 WeakPolarHBondContact OG1-CG 3.49Å; Q72-L74 HydrophobicContact CG-CD2 3.8Å; Q72-V84 CarbonylContact O-C 3.58Å; Q72-V84 VanDerWaalsContact O-CA 3.23Å; Q72-V84 WeakPolarHBondContact O-CA 3.43Å; Q72-R85 PolarHBondContact N-O 3.43Å; Q72-R85 PolarHBondContact O-N 3.13Å
73	V	66	Low	61.3	Low	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.6	164.6	-176.9	0	0	0	0	107.1	Y32 Y46 H48 I82 V84	Y32-V73 HydrophobicContact CE1-CG2 3.41Å; Y32-V73 VanDerWaalsContact CE1-CG2 3.41Å; Y32-V73 HydrophobicContact CE2-CG2 4.46Å; Y32-V73 VanDerWaalsContact CZ-CG2 3.45Å; Y32-V73 WeakPolarHBondContact OH-CG2 3.31Å; Y46-V73 CarbonylContact C-O 3.52Å; Y46-V73 CarbonylContact O-C 3.55Å; H48-V73 PolarHBondContact N-O 2.67Å; H48-V73 PolarHBondContact O-N 3.5Å; V73-I82 HydrophobicContact CG1-CB 4.24Å; V73-I82 HydrophobicContact CG1-CG2 4.33Å; V73-I82 HydrophobicContact CG2-CD1 4.31Å; V73-V84 HydrophobicContact CB-CG1 4.27Å; V73-V84 HydrophobicContact CG2-CG1 3.7Å
74	L	67.4	Low	61.8	Low	45 Å²	45	42.2 Å²	42.2	24%	0.236	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-35.7	-177.5	-63.7	176.4	0	0	0	112.3	Y46 Q72 T83 R85	Y46-L74 PolarHBondContact N-O 2.87Å; Y46-L74 CarbonylContact O-C 3.5Å; Y46-L74 WeakPolarHBondContact O-CA 3.3Å; Q72-L74 HydrophobicContact CG-CD2 3.8Å; L74-T83 HydrophobicContact CB-CG2 4.38Å; L74-T83 HydrophobicContact CD1-CG2 4.16Å; L74-T83 PolarHBondContact N-O 3.05Å; L74-R85 HydrophobicContact CD1-CB 3.93Å; L74-R85 HydrophobicContact CG-CB 4.32Å
75	R	65.1	Low	62.2	Low	86 Å²	86	41.4 Å²	41.4	33%	0.325	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	143.4	-175.4	-167.9	173.5	-88.9	-176.7	-3	110.5	E45 I82 T83	E45-R75 IonicContact OE1-CZ 3.81Å; E45-R75 IonicContact OE1-NH2 2.78Å; E45-R75 PolarHBondContact OE1-NH2 3.03Å; R75-I82 CarbonylContact O-C 3.1Å; R75-I82 VanDerWaalsContact O-CA 3.3Å; R75-I82 WeakPolarHBondContact O-CA 3.1Å; R75-T83 PolarHBondContact O-N 2.79Å
76	A	60.1	Low	62.3	Low	6 Å²	6	40.5 Å²	40.5	5%	0.05	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.3	164.7	0	0	0	0	0	110	I37 N43 T44 Y46 I82	I37-A76 HydrophobicContact CD1-CB 3.85Å; I37-A76 HydrophobicContact CG1-CB 4.12Å; I37-A76 HydrophobicContact CG2-CB 3.62Å; N43-A76 WeakPolarHBondContact CA-O 3.22Å; T44-A76 PolarHBondContact O-N 2.95Å; Y46-A76 HydrophobicContact CD2-CB 3.82Å; Y46-A76 HydrophobicContact CE2-CB 3.84Å; A76-I82 HydrophobicContact CB-CG2 4.36Å
77	H	61	Low	62.5	Low	36 Å²	36	39.4 Å²	39.4	17%	0.167	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	170.8	-173.8	-56.5	-81.6	0	0	0	110.5	T81 T83 F102	H77-T81 WeakPolarHBondContact CA-O 3.36Å; H77-T81 WeakPolarHBondContact CB-O 3.29Å; H77-T81 VanDerWaalsContact CB-OG1 3.24Å; H77-T81 WeakPolarHBondContact CB-OG1 3.35Å; H77-T81 PolarHBondContact CD2-O 3.3Å; H77-T81 PolarHBondContact N-O 2.8Å; H77-T81 PolarHBondContact O-N 2.84Å; H77-T83 PolarHBondContact NE2-OG1 2.87Å; H77-F102 AromaticContact CD2-CE1 3.96Å; H77-F102 AromaticContact CE1-CE1 3.87Å; H77-F102 AromaticContact NE2-CE1 3.59Å
78	Y	54.6	Low	62.6	Low	135 Å²	135	39.8 Å²	39.8	53%	0.529	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	156.5	175.4	-131.8	-119.1	0	0	0	112.7	R42 N80 T81	R42-Y78 HydrophobicContact CB-CD2 4.38Å; R42-Y78 HydrophobicContact CG-CD2 3.12Å; R42-Y78 HydrophobicContact CG-CE2 3.18Å; R42-Y78 HydrophobicContact CG-CG 4.05Å; R42-Y78 VanDerWaalsContact CZ-CZ 3.46Å; R42-Y78 VanDerWaalsContact NE-CD2 3.32Å; R42-Y78 PolarHBondContact NE-OH 3.48Å; R42-Y78 PolarHBondContact NH2-OH 3.3Å; Y78-N80 VanDerWaalsContact C-N 3.26Å; Y78-N80 PolarHBondContact O-N 3.32Å; Y78-T81 PolarHBondContact O-OG1 3.46Å
79	Q	62.8	Low	62.5	Low	150 Å²	150	38.7 Å²	38.7	70%	0.701	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	32.8	-175.3	-53	177.6	-31.6	0	0	113.7	T81	Q79-T81 PolarHBondContact O-N 3.3Å
80	N	61.3	Low	62.6	Low	39 Å²	39	39.7 Å²	39.7	21%	0.209	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	55.6	-178.6	-45.9	-35.8	0	0	0	110.8	Y38 Y78 V105	Y38-N80 VanDerWaalsContact CZ-OD1 3.3Å; Y38-N80 PolarHBondContact OH-ND2 2.87Å; Y78-N80 VanDerWaalsContact C-N 3.26Å; Y78-N80 PolarHBondContact O-N 3.32Å; N80-V105 HydrophobicContact CB-CB 3.92Å; N80-V105 WeakPolarHBondContact CB-O 3.43Å; N80-V105 PolarHBondContact ND2-O 3.03Å; N80-V105 VanDerWaalsContact O-CA 3.26Å; N80-V105 WeakPolarHBondContact O-CA 3.3Å; N80-V105 WeakPolarHBondContact O-CB 3.2Å; N80-V105 WeakPolarHBondContact O-CG2 3.45Å; N80-V105 PolarHBondContact O-N 2.78Å
81	T	57.8	Low	62.7	Low	29 Å²	29	44.6 Å²	44.6	18%	0.178	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.2	171.5	43.9	0	0	0	0	109.5	H77 Y78 Q79 I103 K104	H77-T81 WeakPolarHBondContact CA-O 3.36Å; H77-T81 WeakPolarHBondContact CB-O 3.29Å; H77-T81 VanDerWaalsContact CB-OG1 3.24Å; H77-T81 WeakPolarHBondContact CB-OG1 3.35Å; H77-T81 PolarHBondContact CD2-O 3.3Å; H77-T81 PolarHBondContact N-O 2.8Å; H77-T81 PolarHBondContact O-N 2.84Å; Y78-T81 PolarHBondContact O-OG1 3.46Å; Q79-T81 PolarHBondContact O-N 3.3Å; T81-I103 CarbonylContact C-O 3.56Å; T81-I103 WeakPolarHBondContact CA-O 3.38Å; T81-I103 WeakPolarHBondContact CB-O 3.48Å; T81-K104 HydrophobicContact CG2-CB 4.03Å; T81-K104 HydrophobicContact CG2-CG 4.15Å
82	I	61.8	Low	62.6	Low	4 Å²	4	51.8 Å²	51.8	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.8	174.6	60.5	178.8	0	0	0	110.4	Y32 L34 I37 V73 R75 A76 V84 I103 V105	Y32-I82 HydrophobicContact CE1-CD1 4.46Å; L34-I82 HydrophobicContact CD1-CD1 3.6Å; L34-I82 HydrophobicContact CD1-CG2 3.96Å; I37-I82 HydrophobicContact CD1-CG2 3.22Å; V73-I82 HydrophobicContact CG1-CB 4.24Å; V73-I82 HydrophobicContact CG1-CG2 4.33Å; V73-I82 HydrophobicContact CG2-CD1 4.31Å; R75-I82 CarbonylContact O-C 3.1Å; R75-I82 VanDerWaalsContact O-CA 3.3Å; R75-I82 WeakPolarHBondContact O-CA 3.1Å; A76-I82 HydrophobicContact CB-CG2 4.36Å; I82-V84 HydrophobicContact CD1-CG1 3.91Å; I82-V84 HydrophobicContact CG1-CG1 4.32Å; I82-I103 HydrophobicContact CG1-CB 3.91Å; I82-I103 PolarHBondContact N-O 2.81Å; I82-I103 PolarHBondContact O-N 2.77Å; I82-V105 HydrophobicContact CB-CG2 4.43Å; I82-V105 HydrophobicContact CD1-CG2 4.16Å; I82-V105 HydrophobicContact CG1-CG2 3.87Å; I82-V105 HydrophobicContact CG2-CG2 4.03Å
83	T	64.1	Low	62	Low	14 Å²	14	57 Å²	57	9%	0.086	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.9	161.4	-64.8	0	0	0	0	108.3	L74 R75 H77 H100	L74-T83 HydrophobicContact CB-CG2 4.38Å; L74-T83 HydrophobicContact CD1-CG2 4.16Å; L74-T83 PolarHBondContact N-O 3.05Å; R75-T83 PolarHBondContact O-N 2.79Å; H77-T83 PolarHBondContact NE2-OG1 2.87Å; T83-H100 HydrophobicContact CG2-CB 4.16Å
84	V	62.8	Low	61.4	Low	0 Å²	0	63 Å²	63	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.3	171.5	-80.8	0	0	0	0	111.3	T71 Q72 V73 I82 H100 S101 I103	T71-V84 HydrophobicContact CG2-CB 4.18Å; T71-V84 HydrophobicContact CG2-CG1 3.93Å; Q72-V84 CarbonylContact O-C 3.58Å; Q72-V84 VanDerWaalsContact O-CA 3.23Å; Q72-V84 WeakPolarHBondContact O-CA 3.43Å; V73-V84 HydrophobicContact CB-CG1 4.27Å; V73-V84 HydrophobicContact CG2-CG1 3.7Å; I82-V84 HydrophobicContact CD1-CG1 3.91Å; I82-V84 HydrophobicContact CG1-CG1 4.32Å; V84-H100 WeakPolarHBondContact O-CA 3.24Å; V84-H100 PolarHBondContact O-N 2.89Å; V84-S101 PolarHBondContact N-O 3.44Å; V84-S101 PolarHBondContact O-N 3.4Å; V84-I103 HydrophobicContact CG2-CD1 3.32Å; V84-I103 HydrophobicContact CG2-CG1 3.87Å
85	R	63.8	Low	61.3	Low	99 Å²	99	64 Å²	64	37%	0.374	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.6	167	-174	178.4	-138.7	176.2	5	108.2	Q72 L74 N99	Q72-R85 PolarHBondContact N-O 3.43Å; Q72-R85 PolarHBondContact O-N 3.13Å; L74-R85 HydrophobicContact CD1-CB 3.93Å; L74-R85 HydrophobicContact CG-CB 4.32Å; R85-N99 PolarHBondContact NE-OD1 3.41Å; R85-N99 PolarHBondContact NH2-OD1 3.49Å
86	N	63.6	Low	60.9	Low	9 Å²	9	63.9 Å²	63.9	5%	0.048	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.8	175.4	-66.8	-57.1	0	0	0	109.3	I10 H70 T71 S97 L98	I10-N86 HydrophobicContact CD1-CB 4.29Å; H70-N86 CarbonylContact O-C 3.5Å; H70-N86 VanDerWaalsContact O-CA 3.29Å; H70-N86 WeakPolarHBondContact O-CA 3.05Å; T71-N86 WeakPolarHBondContact CA-OD1 3.35Å; T71-N86 WeakPolarHBondContact CB-OD1 3.05Å; T71-N86 WeakPolarHBondContact CG2-OD1 3.26Å; T71-N86 PolarHBondContact OG1-OD1 2.91Å; N86-S97 CarbonylContact O-C 3.55Å; N86-S97 VanDerWaalsContact O-CA 3.22Å; N86-S97 WeakPolarHBondContact O-CA 3.09Å; N86-L98 HydrophobicContact CB-CB 4.42Å; N86-L98 PolarHBondContact N-O 3.07Å; N86-L98 PolarHBondContact O-N 3.49Å
87	Y	62.8	Low	60.5	Low	52 Å²	52	65.1 Å²	65.1	20%	0.204	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.5	165.3	58.2	-84.8	0	0	0	111.7	H70 I89 F94 Q96	H70-Y87 HydrophobicContact CB-CD1 3.78Å; H70-Y87 HydrophobicContact CB-CD2 3.64Å; H70-Y87 HydrophobicContact CB-CE1 3.42Å; H70-Y87 VanDerWaalsContact CB-CE1 3.42Å; H70-Y87 HydrophobicContact CB-CE2 3.28Å; H70-Y87 HydrophobicContact CB-CG 3.88Å; H70-Y87 AromaticContact CD2-CD2 3.89Å; H70-Y87 AromaticContact CD2-CE2 3.54Å; H70-Y87 AromaticContact CE1-CE2 3.9Å; H70-Y87 AromaticContact CG-CD2 3.75Å; H70-Y87 AromaticContact CG-CE2 3.13Å; H70-Y87 AromaticContact CG-CZ 3.37Å; H70-Y87 PolarHBondContact N-O 3.28Å; H70-Y87 AromaticContact ND1-CE2 3.36Å; H70-Y87 WeakPolarHBondContact ND1-CE2 3.15Å; H70-Y87 AromaticContact ND1-CZ 3.42Å; H70-Y87 PolarHBondContact ND1-OH 3.48Å; H70-Y87 VanDerWaalsContact ND1-OH 3.07Å; H70-Y87 PolarHBondContact O-N 3.44Å; Y87-I89 HydrophobicContact CD2-CD1 4.37Å; Y87-I89 HydrophobicContact CD2-CG1 4.29Å; Y87-I89 HydrophobicContact CE2-CD1 4.21Å; Y87-F94 HydrophobicContact CD2-CD2 4.38Å; Y87-F94 HydrophobicContact CD2-CE2 4.03Å; Y87-F94 AromaticContact CG-CE2 3.93Å; Y87-F94 HydrophobicContact CG-CE2 3.93Å; Y87-Q96 VanDerWaalsContact CA-O 3.31Å; Y87-Q96 WeakPolarHBondContact CA-O 3.49Å
88	S	63.2	Low	60.3	Low	10 Å²	10	67.1 Å²	67.1	7%	0.07	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.7	-180	-55.8	0	0	0	0	110.5	H68 I95 Q96	H68-S88 CarbonylContact O-C 3.55Å; H68-S88 VanDerWaalsContact O-CA 3.3Å; H68-S88 WeakPolarHBondContact O-CA 3.49Å; S88-I95 PolarHBondContact O-N 2.86Å; S88-Q96 PolarHBondContact N-O 3.02Å
89	I	58.4	Low	60	Low	40 Å²	40	65 Å²	65	21%	0.205	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.3	174.9	-56.1	175.6	0	0	0	108.2	I67 H68 Y87 Q93	I67-I89 CarbonylContact C-O 3.57Å; I67-I89 WeakPolarHBondContact CA-O 3.18Å; H68-I89 HydrophobicContact CB-CB 4.25Å; H68-I89 PolarHBondContact N-O 2.82Å; H68-I89 PolarHBondContact O-N 2.96Å; Y87-I89 HydrophobicContact CD2-CD1 4.37Å; Y87-I89 HydrophobicContact CD2-CG1 4.29Å; Y87-I89 HydrophobicContact CE2-CD1 4.21Å; I89-Q93 CarbonylContact C-O 3.46Å; I89-Q93 WeakPolarHBondContact CA-O 3.23Å
90	L	65.9	Low	59.7	Low	22 Å²	22	62.9 Å²	62.9	12%	0.115	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.4	174.2	164.2	66.3	0	0	0	108.2	H14 T65 Q66 I67 N92 Q93 I95	H14-L90 WeakPolarHBondContact NE2-CD2 3.2Å; T65-L90 HydrophobicContact CG2-CD1 3.2Å; Q66-L90 WeakPolarHBondContact O-CD1 3.38Å; I67-L90 HydrophobicContact CG1-CD1 4.07Å; L90-N92 PolarHBondContact O-N 3.5Å; L90-Q93 PolarHBondContact N-O 2.72Å; L90-Q93 WeakPolarHBondContact O-CA 3.47Å; L90-Q93 WeakPolarHBondContact O-CB 3.44Å; L90-Q93 PolarHBondContact O-N 3.25Å; L90-I95 HydrophobicContact CB-CD1 3.16Å; L90-I95 HydrophobicContact CB-CG1 3.58Å; L90-I95 HydrophobicContact CD2-CD1 4.01Å; L90-I95 HydrophobicContact CG-CD1 4.2Å
91	N	65.7	Low	59.3	Low	123 Å²	123	63 Å²	63	66%	0.658	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	44.6	-179.3	-60.9	-21	0	0	0	112.7	Q93	N91-Q93 PolarHBondContact O-N 2.74Å; N91-Q93 VanDerWaalsContact O-N 3.09Å
92	N	60.9	Low	59.1	Low	152 Å²	152	68.7 Å²	68.7	81%	0.813	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	12.4	-173.9	-67.4	1	0	0	0	115.7	L90	L90-N92 PolarHBondContact O-N 3.5Å
93	Q	52.2	Low	58.9	Low	146 Å²	146	70.4 Å²	70.4	68%	0.682	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.2	174	-65.2	-171.2	-27.4	0	0	110.9	I89 L90 N91 I95	I89-Q93 CarbonylContact C-O 3.46Å; I89-Q93 WeakPolarHBondContact CA-O 3.23Å; L90-Q93 PolarHBondContact N-O 2.72Å; L90-Q93 WeakPolarHBondContact O-CA 3.47Å; L90-Q93 WeakPolarHBondContact O-CB 3.44Å; L90-Q93 PolarHBondContact O-N 3.25Å; N91-Q93 PolarHBondContact O-N 2.74Å; N91-Q93 VanDerWaalsContact O-N 3.09Å; Q93-I95 PolarHBondContact O-N 2.88Å
94	F	54.5	Low	58.3	Low	126 Å²	126	78 Å²	78	55%	0.553	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	122.8	174	-171.3	-86.3	0	0	0	109.8	Y87	Y87-F94 HydrophobicContact CD2-CD2 4.38Å; Y87-F94 HydrophobicContact CD2-CE2 4.03Å; Y87-F94 AromaticContact CG-CE2 3.93Å; Y87-F94 HydrophobicContact CG-CE2 3.93Å
95	I	64.1	Low	57.8	Low	66 Å²	66	79.6 Å²	79.6	34%	0.338	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-52.3	-178.4	-44.6	170.4	0	0	0	110.5	I67 S88 L90 Q93	I67-I95 HydrophobicContact CG2-CD1 4.49Å; S88-I95 PolarHBondContact O-N 2.86Å; L90-I95 HydrophobicContact CB-CD1 3.16Å; L90-I95 HydrophobicContact CB-CG1 3.58Å; L90-I95 HydrophobicContact CD2-CD1 4.01Å; L90-I95 HydrophobicContact CG-CD1 4.2Å; Q93-I95 PolarHBondContact O-N 2.88Å
96	Q	58.4	Low	57.5	Low	84 Å²	84	78.6 Å²	78.6	39%	0.393	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	138.1	-166.4	-164.1	167.4	-8.5	0	0	110.5	Y87 S88	Y87-Q96 VanDerWaalsContact CA-O 3.31Å; Y87-Q96 WeakPolarHBondContact CA-O 3.49Å; S88-Q96 PolarHBondContact N-O 3.02Å
97	S	51.9	Low	57.2	Low	32 Å²	32	82.3 Å²	82.3	22%	0.224	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.9	163.1	144.8	0	0	0	0	109.1	N86 N99	N86-S97 CarbonylContact O-C 3.55Å; N86-S97 VanDerWaalsContact O-CA 3.22Å; N86-S97 WeakPolarHBondContact O-CA 3.09Å; S97-N99 PolarHBondContact OG-N 3.47Å; S97-N99 PolarHBondContact OG-ND2 3.06Å; S97-N99 PolarHBondContact OG-OD1 2.89Å
98	L	55.7	Low	56.9	Low	78 Å²	78	83.9 Å²	83.9	41%	0.408	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	96.8	157.3	-91.3	152.5	0	0	0	105.8	N86 H100	N86-L98 HydrophobicContact CB-CB 4.42Å; N86-L98 PolarHBondContact N-O 3.07Å; N86-L98 PolarHBondContact O-N 3.49Å; L98-H100 PolarHBondContact O-N 3.05Å
99	N	48.5	Very low	56.5	Low	91 Å²	91	88.3 Å²	88.3	49%	0.487	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.2	175.5	-77.3	-40	0	0	0	108.3	R85 S97	R85-N99 PolarHBondContact NE-OD1 3.41Å; R85-N99 PolarHBondContact NH2-OD1 3.49Å; S97-N99 PolarHBondContact OG-N 3.47Å; S97-N99 PolarHBondContact OG-ND2 3.06Å; S97-N99 PolarHBondContact OG-OD1 2.89Å
100	H	55.7	Low	56.4	Low	104 Å²	104	91.3 Å²	91.3	48%	0.481	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.3	80.4	164.4	-49.3	128.8	0	0	0	115.5	T83 V84 L98	T83-H100 HydrophobicContact CG2-CB 4.16Å; V84-H100 WeakPolarHBondContact O-CA 3.24Å; V84-H100 PolarHBondContact O-N 2.89Å; L98-H100 PolarHBondContact O-N 3.05Å
101	S	53.5	Low	55.7	Low	42 Å²	42	95.9 Å²	95.9	29%	0.294	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.6	161.5	-53.4	0	0	0	0	109.3	V84 I103	V84-S101 PolarHBondContact N-O 3.44Å; V84-S101 PolarHBondContact O-N 3.4Å; S101-I103 PolarHBondContact O-N 3.32Å
102	F	53.4	Low	55	Low	148 Å²	148	94 Å²	94	65%	0.649	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	113	163.6	-78	-87.5	0	0	0	107.9	H77	H77-F102 AromaticContact CD2-CE1 3.96Å; H77-F102 AromaticContact CE1-CE1 3.87Å; H77-F102 AromaticContact NE2-CE1 3.59Å
103	I	57.2	Low	54.6	Low	40 Å²	40	89.5 Å²	89.5	21%	0.205	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.4	178.2	-58.4	-176.5	0	0	0	107.6	Y8 T81 I82 V84 S101	Y8-I103 HydrophobicContact CD1-CD1 4.3Å; Y8-I103 HydrophobicContact CG-CD1 4.26Å; T81-I103 CarbonylContact C-O 3.56Å; T81-I103 WeakPolarHBondContact CA-O 3.38Å; T81-I103 WeakPolarHBondContact CB-O 3.48Å; I82-I103 HydrophobicContact CG1-CB 3.91Å; I82-I103 PolarHBondContact N-O 2.81Å; I82-I103 PolarHBondContact O-N 2.77Å; V84-I103 HydrophobicContact CG2-CD1 3.32Å; V84-I103 HydrophobicContact CG2-CG1 3.87Å; S101-I103 PolarHBondContact O-N 3.32Å
104	K	52.6	Low	54.8	Low	173 Å²	173	84.8 Å²	84.8	75%	0.752	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.6	167.4	-166.2	178.3	-178.2	-177.9	0	109	T81	T81-K104 HydrophobicContact CG2-CB 4.03Å; T81-K104 HydrophobicContact CG2-CG 4.15Å
105	V	52.1	Low	54.8	Low	34 Å²	34	81.1 Å²	81.1	21%	0.206	40%	0.403	C	S	.	.			trans	-115.3	0	-172.6	-169.3	0	0	0	0	108.3	Y6 N80 I82	Y6-V105 HydrophobicContact CD1-CG1 4.01Å; Y6-V105 HydrophobicContact CD2-CG1 3.56Å; Y6-V105 HydrophobicContact CE1-CG1 3.68Å; Y6-V105 WeakPolarHBondContact CE1-OXT 3.43Å; Y6-V105 HydrophobicContact CE2-CG1 3.13Å; Y6-V105 HydrophobicContact CG-CG1 3.95Å; Y6-V105 WeakPolarHBondContact OH-CG1 3.47Å; Y6-V105 PolarHBondContact OH-OXT 3.34Å; N80-V105 HydrophobicContact CB-CB 3.92Å; N80-V105 WeakPolarHBondContact CB-O 3.43Å; N80-V105 PolarHBondContact ND2-O 3.03Å; N80-V105 VanDerWaalsContact O-CA 3.26Å; N80-V105 WeakPolarHBondContact O-CA 3.3Å; N80-V105 WeakPolarHBondContact O-CB 3.2Å; N80-V105 WeakPolarHBondContact O-CG2 3.45Å; N80-V105 PolarHBondContact O-N 2.78Å; I82-V105 HydrophobicContact CB-CG2 4.43Å; I82-V105 HydrophobicContact CD1-CG2 4.16Å; I82-V105 HydrophobicContact CG1-CG2 3.87Å; I82-V105 HydrophobicContact CG2-CG2 4.03Å

Retrieved 105 of 105 residues in 29.9 ms (Link to these results)

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