A0A077ZJZ0_TRITR Loading...

OB domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZJZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 99 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M60.5Low90.3Very high240 Ų240104.7 Ų104.7100%1.18252%0.517SS*.  0128.10-129.4178.6-88.600106.5E3M1-E3 PolarHBondContact O-N 3.08Å
2N78.9Confident91Very high168 Ų16897 Ų9790%0.89848%0.479SS*.PPolyproline II helixtrans-72.9126.5-179-73.111000109.2
3E81.5Confident91.4Very high88 Ų8895.6 Ų95.641%0.41148%0.48SS..PPolyproline II helixtrans-75.7141.1178.9-163163.2-166.700110.8M1 K5 R71 R95M1-E3 PolarHBondContact O-N 3.08Å; E3-K5 PolarHBondContact O-N 2.73Å; E3-R71 WeakPolarHBondContact OE1-CD 3.32Å; E3-R71 IonicContact OE1-CZ 3.7Å; E3-R71 IonicContact OE1-NE 2.7Å; E3-R71 IonicContact OE1-NH1 2.7Å; E3-R71 PolarHBondContact OE1-NH1 3.18Å; E3-R71 IonicContact OE2-CZ 3.76Å; E3-R71 IonicContact OE2-NH1 3.5Å; E3-R71 PolarHBondContact OE2-NH1 2.95Å; E3-R95 IonicContact OE1-CZ 2.81Å; E3-R95 IonicContact OE1-NH1 2.78Å; E3-R95 PolarHBondContact OE1-NH1 3.37Å
4P89.8Confident91.4Very high60 Ų6090.4 Ų90.439%0.3946%0.458SS..PPolyproline II helixtrans-59.5138.3-179.7-24.434.8000112C6 N20 V73P4-C6 PolarHBondContact O-N 2.97Å; P4-N20 HydrophobicContact CB-CB 4.36Å; P4-N20 WeakPolarHBondContact CB-ND2 3.3Å; P4-V73 HydrophobicContact CG-CG1 4.17Å
5K94.2Very high91.4Very high191 Ų19193.7 Ų93.783%0.8348%0.478SS*.PPolyproline II helixtrans-63.2130.9176.6-175.4176.4178.6-178.80110.1E3E3-K5 PolarHBondContact O-N 2.73Å
6C96.9Very high91.7Very high38 Ų3891.4 Ų91.426%0.25747%0.465SS..PPolyproline II helixtrans-80.9144.4173.4-65.20000111.1P4 N20P4-C6 PolarHBondContact O-N 2.97Å; C6-N20 VanDerWaalsContact CA-O 3.26Å; C6-N20 WeakPolarHBondContact CA-O 3.49Å
7M97.7Very high91.9Very high57 Ų5797.1 Ų97.128%0.28148%0.48SS..PPolyproline II helixtrans-97.9170.8169.968.3-174.8-6800111.1D11 L12 M16 I19 N20 L21M7-D11 HydrophobicContact CE-CB 3.53Å; M7-L12 HydrophobicContact CE-CD2 4.24Å; M7-L12 HydrophobicContact SD-CD2 4.07Å; M7-M16 HydrophobicContact CE-CE 4.2Å; M7-M16 HydrophobicContact CE-SD 3.8Å; M7-M16 HydrophobicContact SD-SD 4.36Å; M7-I19 HydrophobicContact SD-CG1 4.31Å; M7-I19 HydrophobicContact SD-CG2 4.37Å; M7-N20 PolarHBondContact N-O 3.07Å; M7-L21 HydrophobicContact CG-CD2 3.67Å; M7-L21 WeakPolarHBondContact O-CD2 3.41Å
8C98.4Very high92Very high46 Ų46101.2 Ų101.231%0.31149%0.491SS..PPolyproline II helixtrans-83.7147.2174.1-60.70000110.8R10 D11 D47 T49C8-R10 VanDerWaalsContact C-N 3.26Å; C8-R10 PolarHBondContact O-N 2.7Å; C8-D11 PolarHBondContact O-N 2.97Å; C8-D11 VanDerWaalsContact O-N 3.1Å; C8-D47 WeakPolarHBondContact CA-OD2 3.32Å; C8-T49 HydrophobicContact CB-CG2 3.66Å
9I98.8Very high92.3Very high8 Ų896.1 Ų96.14%0.04147%0.466CS..G310 helixtrans-59.7-37.3177.5-74.5179.7000111.7D11 L12 L21 F23 I45 D47 T49 V52I9-D11 PolarHBondContact O-N 3.15Å; I9-D11 VanDerWaalsContact O-N 3.15Å; I9-L12 HydrophobicContact CB-CD1 4.31Å; I9-L12 HydrophobicContact CG1-CD1 4.35Å; I9-L12 HydrophobicContact CG2-CD1 4.13Å; I9-L12 VanDerWaalsContact O-CB 3.27Å; I9-L12 WeakPolarHBondContact O-CB 3.21Å; I9-L12 WeakPolarHBondContact O-CD1 3.31Å; I9-L12 VanDerWaalsContact O-CG 3.26Å; I9-L12 WeakPolarHBondContact O-CG 3.35Å; I9-L12 PolarHBondContact O-N 3.01Å; I9-L12 VanDerWaalsContact O-N 3.07Å; I9-L21 HydrophobicContact CG1-CD1 4.49Å; I9-L21 HydrophobicContact CG1-CD2 4.27Å; I9-F23 HydrophobicContact CD1-CB 4.24Å; I9-I45 HydrophobicContact CD1-CD1 4.41Å; I9-I45 HydrophobicContact CD1-CG1 4.38Å; I9-D47 HydrophobicContact CD1-CB 4.1Å; I9-D47 HydrophobicContact CG1-CB 4.34Å; I9-D47 PolarHBondContact N-OD2 3.5Å; I9-T49 PolarHBondContact N-OG1 2.79Å; I9-V52 HydrophobicContact CD1-CG1 4.36Å; I9-V52 HydrophobicContact CG2-CB 3.95Å; I9-V52 HydrophobicContact CG2-CG1 3.95Å
10R98.3Very high92.6Very high180 Ų18092.5 Ų92.568%0.67945%0.449SS*.G310 helixtrans-58.6-27.5177.9-176.5-179.665.7-166.9-3.7113.4C8 L12 T49C8-R10 VanDerWaalsContact C-N 3.26Å; C8-R10 PolarHBondContact O-N 2.7Å; R10-L12 VanDerWaalsContact C-N 3.25Å; R10-L12 PolarHBondContact O-N 2.9Å; R10-T49 WeakPolarHBondContact CB-OG1 3.38Å; R10-T49 PolarHBondContact N-OG1 2.78Å; R10-T49 VanDerWaalsContact N-OG1 3.08Å
11D98Very high92.8Very high76 Ų7688.1 Ų88.141%0.40643%0.428SS..G310 helixtrans-84.2-4.3-176.7-55.9-30000112M7 C8 I9 T13 M16M7-D11 HydrophobicContact CE-CB 3.53Å; C8-D11 PolarHBondContact O-N 2.97Å; C8-D11 VanDerWaalsContact O-N 3.1Å; I9-D11 PolarHBondContact O-N 3.15Å; I9-D11 VanDerWaalsContact O-N 3.15Å; D11-T13 PolarHBondContact O-N 2.96Å; D11-M16 WeakPolarHBondContact O-CE 3.49Å
12L98.4Very high94.7Very high12 Ų1280.8 Ų80.86%0.06339%0.391CS..  trans-66.5130.6177.8-66.1168.5000111M7 I9 R10 I19 L21 V52 L84 V86M7-L12 HydrophobicContact CE-CD2 4.24Å; M7-L12 HydrophobicContact SD-CD2 4.07Å; I9-L12 HydrophobicContact CB-CD1 4.31Å; I9-L12 HydrophobicContact CG1-CD1 4.35Å; I9-L12 HydrophobicContact CG2-CD1 4.13Å; I9-L12 VanDerWaalsContact O-CB 3.27Å; I9-L12 WeakPolarHBondContact O-CB 3.21Å; I9-L12 WeakPolarHBondContact O-CD1 3.31Å; I9-L12 VanDerWaalsContact O-CG 3.26Å; I9-L12 WeakPolarHBondContact O-CG 3.35Å; I9-L12 PolarHBondContact O-N 3.01Å; I9-L12 VanDerWaalsContact O-N 3.07Å; R10-L12 VanDerWaalsContact C-N 3.25Å; R10-L12 PolarHBondContact O-N 2.9Å; L12-I19 HydrophobicContact CD2-CD1 3.62Å; L12-I19 HydrophobicContact CD2-CG1 4.03Å; L12-I19 HydrophobicContact CD2-CG2 3.79Å; L12-L21 HydrophobicContact CD1-CD1 4.03Å; L12-L21 HydrophobicContact CD2-CD1 4.37Å; L12-L21 HydrophobicContact CD2-CD2 4.4Å; L12-V52 HydrophobicContact CD1-CB 4.28Å; L12-V52 HydrophobicContact CD1-CG1 3.78Å; L12-V52 HydrophobicContact CD1-CG2 4.36Å; L12-L84 HydrophobicContact CB-CD2 3.96Å; L12-L84 WeakPolarHBondContact O-CD2 3.13Å; L12-V86 HydrophobicContact CD1-CG2 3.73Å; L12-V86 HydrophobicContact CD2-CG2 4.49Å
13T96.2Very high95.6Very high79 Ų7973 Ų7349%0.48535%0.349SS..  trans-125.8163167.465.50000110.2D11 M16D11-T13 PolarHBondContact O-N 2.96Å; T13-M16 HydrophobicContact CG2-CE 4.2Å; T13-M16 PolarHBondContact N-SD 2.63Å; T13-M16 VanDerWaalsContact N-SD 3.44Å; T13-M16 WeakPolarHBondContact O-CG 3.13Å; T13-M16 PolarHBondContact O-N 3.08Å; T13-M16 WeakPolarHBondContact OG1-CE 3.26Å; T13-M16 WeakPolarHBondContact OG1-CG 3.27Å
14A91.5Very high96.4Very high22 Ų2272 Ų7218%0.18235%0.346CS..THydrogen-bonded Turntrans-60.6148.4173.600000110.8M16 Y79 L84A14-M16 PolarHBondContact O-N 3.33Å; A14-Y79 HydrophobicContact CB-CD2 3.79Å; A14-Y79 HydrophobicContact CB-CE2 3.39Å; A14-L84 HydrophobicContact CB-CD1 4.19Å
15N92.2Very high96.8Very high140 Ų14069.3 Ų69.375%0.74933%0.328SS*.THydrogen-bonded Turntrans73.11.7-178.7-49.9-46000115.9A77N15-A77 PolarHBondContact N-O 3.36Å
16M96.2Very high97.1Very high57 Ų5763 Ų6328%0.28130%0.303SS..  trans-63.7141.6170.1-74.4-168.6171.500111.4M7 D11 T13 A14 I19 Y76 A77M7-M16 HydrophobicContact CE-CE 4.2Å; M7-M16 HydrophobicContact CE-SD 3.8Å; M7-M16 HydrophobicContact SD-SD 4.36Å; D11-M16 WeakPolarHBondContact O-CE 3.49Å; T13-M16 HydrophobicContact CG2-CE 4.2Å; T13-M16 PolarHBondContact N-SD 2.63Å; T13-M16 VanDerWaalsContact N-SD 3.44Å; T13-M16 WeakPolarHBondContact O-CG 3.13Å; T13-M16 PolarHBondContact O-N 3.08Å; T13-M16 WeakPolarHBondContact OG1-CE 3.26Å; T13-M16 WeakPolarHBondContact OG1-CG 3.27Å; A14-M16 PolarHBondContact O-N 3.33Å; M16-I19 HydrophobicContact CB-CD1 3.5Å; M16-I19 VanDerWaalsContact CB-CD1 3.5Å; M16-I19 HydrophobicContact CB-CG1 3.9Å; M16-Y76 WeakPolarHBondContact O-CA 3.5Å; M16-A77 HydrophobicContact CB-CB 4.46Å; M16-A77 PolarHBondContact O-N 3.34Å
17R95Very high97.1Very high188 Ų18866 Ų6671%0.70931%0.313SS*.EExtended strand (participates in β ladder)trans-130.3166.6176.9-62.7-179.1-179.2-176.8-0.5109.1I19R17-I19 PolarHBondContact O-N 2.79Å
18Y94.3Very high97.2Very high172 Ų17265.5 Ų65.568%0.67531%0.311SS*.EExtended strand (participates in β ladder)trans58.232.2-178.2-47.3-77.3000112.5N20 N74 G75Y18-N20 PolarHBondContact O-N 3.46Å; Y18-N20 PolarHBondContact O-ND2 3.15Å; Y18-N74 WeakPolarHBondContact CD1-OD1 3.45Å; Y18-G75 PolarHBondContact N-O 2.73Å
19I96.9Very high97.1Very high3 Ų364.3 Ų64.32%0.01531%0.307CS..EExtended strand (participates in β ladder)trans-72.5127.2-178.8-72.1163.9000108.7M7 L12 M16 R17 L21 N74 G75 A77M7-I19 HydrophobicContact SD-CG1 4.31Å; M7-I19 HydrophobicContact SD-CG2 4.37Å; L12-I19 HydrophobicContact CD2-CD1 3.62Å; L12-I19 HydrophobicContact CD2-CG1 4.03Å; L12-I19 HydrophobicContact CD2-CG2 3.79Å; M16-I19 HydrophobicContact CB-CD1 3.5Å; M16-I19 VanDerWaalsContact CB-CD1 3.5Å; M16-I19 HydrophobicContact CB-CG1 3.9Å; R17-I19 PolarHBondContact O-N 2.79Å; I19-L21 HydrophobicContact CG2-CD1 3.7Å; I19-L21 HydrophobicContact CG2-CD2 4.07Å; I19-L21 HydrophobicContact CG2-CG 3.52Å; I19-N74 PolarHBondContact O-N 3Å; I19-N74 VanDerWaalsContact O-N 3.15Å; I19-G75 PolarHBondContact N-O 3.46Å; I19-G75 PolarHBondContact O-N 3.4Å; I19-A77 HydrophobicContact CD1-CB 3.55Å
20N97.6Very high97Very high25 Ų2569.2 Ų69.213%0.13434%0.339CS..EExtended strand (participates in β ladder)trans-116.5128.2169.2-48.3-65.6000108.3P4 C6 M7 Y18 L72 V73 N74P4-N20 HydrophobicContact CB-CB 4.36Å; P4-N20 WeakPolarHBondContact CB-ND2 3.3Å; C6-N20 VanDerWaalsContact CA-O 3.26Å; C6-N20 WeakPolarHBondContact CA-O 3.49Å; M7-N20 PolarHBondContact N-O 3.07Å; Y18-N20 PolarHBondContact O-N 3.46Å; Y18-N20 PolarHBondContact O-ND2 3.15Å; N20-L72 CarbonylContact C-O 3.49Å; N20-L72 WeakPolarHBondContact CA-O 3.49Å; N20-V73 WeakPolarHBondContact OD1-CA 3.48Å; N20-N74 PolarHBondContact OD1-N 3.1Å
21L98.5Very high96.9Very high0 Ų063.7 Ų63.70%033%0.326CS..EExtended strand (participates in β ladder)trans-136150.3-176.9-62170.6000110.1M7 I9 L12 I19 F23 I45 R71 L72 V86M7-L21 HydrophobicContact CG-CD2 3.67Å; M7-L21 WeakPolarHBondContact O-CD2 3.41Å; I9-L21 HydrophobicContact CG1-CD1 4.49Å; I9-L21 HydrophobicContact CG1-CD2 4.27Å; L12-L21 HydrophobicContact CD1-CD1 4.03Å; L12-L21 HydrophobicContact CD2-CD1 4.37Å; L12-L21 HydrophobicContact CD2-CD2 4.4Å; I19-L21 HydrophobicContact CG2-CD1 3.7Å; I19-L21 HydrophobicContact CG2-CD2 4.07Å; I19-L21 HydrophobicContact CG2-CG 3.52Å; L21-F23 HydrophobicContact CB-CD1 3.75Å; L21-F23 HydrophobicContact CB-CE1 4.11Å; L21-I45 HydrophobicContact CD1-CD1 4.45Å; L21-R71 CarbonylContact O-C 3.56Å; L21-R71 VanDerWaalsContact O-CA 3.28Å; L21-R71 WeakPolarHBondContact O-CA 3.26Å; L21-L72 HydrophobicContact CB-CB 4.47Å; L21-L72 HydrophobicContact CD1-CD2 4.45Å; L21-L72 PolarHBondContact N-O 2.94Å; L21-L72 PolarHBondContact O-N 2.83Å; L21-V86 HydrophobicContact CD1-CG1 4.3Å; L21-V86 HydrophobicContact CD1-CG2 4.29Å
22Q98.5Very high96.8Very high87 Ų8766.4 Ų66.441%0.40733%0.331SS..EExtended strand (participates in β ladder)trans-122.4128.1163.7179.4174.8-29.300107.6I69 C70 I97Q22-I69 HydrophobicContact CG-CG2 4.43Å; Q22-C70 WeakPolarHBondContact CA-O 3.42Å; Q22-I97 HydrophobicContact CG-CD1 3.93Å
23F98.7Very high96.7Very high5 Ų573.8 Ų73.82%0.02236%0.358CS..EExtended strand (participates in β ladder)trans-152.1162.2-170.353.2-100.4000111.5I9 L21 I25 I45 A46 L54 I69 C70 L72 L94I9-F23 HydrophobicContact CD1-CB 4.24Å; L21-F23 HydrophobicContact CB-CD1 3.75Å; L21-F23 HydrophobicContact CB-CE1 4.11Å; F23-I25 HydrophobicContact CE2-CG1 4.34Å; F23-I45 HydrophobicContact CB-CB 4.16Å; F23-I45 HydrophobicContact CB-CD1 4.38Å; F23-I45 HydrophobicContact CD1-CD1 3.6Å; F23-I45 HydrophobicContact CD2-CB 3.53Å; F23-I45 HydrophobicContact CD2-CD1 4.03Å; F23-I45 HydrophobicContact CD2-CG1 4.38Å; F23-I45 HydrophobicContact CD2-CG2 3.48Å; F23-I45 VanDerWaalsContact CD2-CG2 3.48Å; F23-I45 HydrophobicContact CE1-CD1 3.7Å; F23-I45 HydrophobicContact CE2-CB 3.98Å; F23-I45 HydrophobicContact CE2-CD1 4.12Å; F23-I45 HydrophobicContact CE2-CG2 3.44Å; F23-I45 VanDerWaalsContact CE2-CG2 3.44Å; F23-I45 HydrophobicContact CG-CB 3.85Å; F23-I45 HydrophobicContact CG-CD1 3.75Å; F23-I45 HydrophobicContact CG-CG1 4.35Å; F23-I45 HydrophobicContact CG-CG2 4.27Å; F23-I45 HydrophobicContact CZ-CD1 3.95Å; F23-I45 HydrophobicContact CZ-CG2 4.19Å; F23-A46 CarbonylContact C-O 3.57Å; F23-A46 VanDerWaalsContact CA-O 3.26Å; F23-A46 WeakPolarHBondContact CA-O 3.49Å; F23-A46 VanDerWaalsContact CB-O 3.27Å; F23-A46 WeakPolarHBondContact CB-O 3.34Å; F23-L54 HydrophobicContact CE1-CD1 4.26Å; F23-L54 HydrophobicContact CE2-CD1 4.49Å; F23-L54 HydrophobicContact CZ-CD1 3.72Å; F23-I69 WeakPolarHBondContact O-CA 3.34Å; F23-C70 HydrophobicContact CD2-CB 4.16Å; F23-C70 HydrophobicContact CE2-CB 3.61Å; F23-C70 HydrophobicContact CZ-CB 3.97Å; F23-C70 PolarHBondContact N-O 3.32Å; F23-C70 PolarHBondContact O-N 3.44Å; F23-L72 HydrophobicContact CE1-CB 3.76Å; F23-L72 HydrophobicContact CZ-CB 4.37Å; F23-L94 HydrophobicContact CE1-CD1 4.37Å; F23-L94 HydrophobicContact CE2-CD1 4.35Å; F23-L94 HydrophobicContact CZ-CD1 3.57Å
24I98.7Very high96.6Very high67 Ų6771.8 Ų71.834%0.34435%0.346SS..EExtended strand (participates in β ladder)trans-98.9144166.5-171.3166.9000110L26 I45 A46 G67 D68I24-L26 HydrophobicContact CG2-CD2 3.86Å; I24-I45 WeakPolarHBondContact O-CA 3.41Å; I24-A46 HydrophobicContact CG2-CB 4.44Å; I24-A46 PolarHBondContact N-O 2.84Å; I24-A46 PolarHBondContact O-N 3.31Å; I24-G67 WeakPolarHBondContact CG1-O 3.4Å; I24-D68 WeakPolarHBondContact CA-O 3.48Å
25I98.7Very high96.8Very high2 Ų283 Ų831%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-81.7120.5171.5-62.6-173.7000109.5F23 I28 I43 I45 L64 V66 G67 D68F23-I25 HydrophobicContact CE2-CG1 4.34Å; I25-I28 HydrophobicContact CG2-CD1 4.05Å; I25-I28 HydrophobicContact CG2-CG1 3.71Å; I25-I43 HydrophobicContact CD1-CG2 4.4Å; I25-I43 HydrophobicContact CG1-CG2 4.32Å; I25-I43 HydrophobicContact CG2-CG2 3.68Å; I25-I45 HydrophobicContact CG1-CG2 4.38Å; I25-L64 HydrophobicContact CD1-CB 3.71Å; I25-L64 HydrophobicContact CD1-CD1 3.97Å; I25-L64 HydrophobicContact CD1-CD2 3.87Å; I25-L64 HydrophobicContact CD1-CG 4.04Å; I25-V66 HydrophobicContact CG2-CG2 4.47Å; I25-G67 PolarHBondContact O-N 2.87Å; I25-D68 HydrophobicContact CD1-CB 4.17Å; I25-D68 HydrophobicContact CG1-CB 4.45Å; I25-D68 PolarHBondContact N-O 3.44Å
26L98.7Very high97Very high59 Ų5983.1 Ų83.131%0.30938%0.384SS..EExtended strand (participates in β ladder)trans-93.5-43.7178.1-59.5-173.9000112.3I24 R44 A46 V66I24-L26 HydrophobicContact CG2-CD2 3.86Å; L26-R44 HydrophobicContact CB-CB 4.49Å; L26-R44 WeakPolarHBondContact CB-O 3.27Å; L26-R44 PolarHBondContact N-O 3.49Å; L26-A46 HydrophobicContact CD1-CB 3.47Å; L26-A46 VanDerWaalsContact CD1-CB 3.47Å; L26-A46 HydrophobicContact CD2-CB 4.34Å; L26-A46 HydrophobicContact CG-CB 3.87Å; L26-V66 VanDerWaalsContact O-CG1 3.23Å; L26-V66 WeakPolarHBondContact O-CG1 3.45Å
27E98.6Very high97Very high102 Ų10282.5 Ų82.548%0.47739%0.392SS..EExtended strand (participates in β ladder)trans-147.7143.4-175.5-68.3167.6-172.800110.5I43 R44E27-I43 CarbonylContact O-C 3.53Å; E27-I43 VanDerWaalsContact O-CA 3.31Å; E27-I43 WeakPolarHBondContact O-CA 3.45Å; E27-I43 WeakPolarHBondContact O-CG2 3.26Å; E27-R44 HydrophobicContact CB-CB 4.06Å; E27-R44 VanDerWaalsContact CD-NE 3.32Å; E27-R44 VanDerWaalsContact CD-NH2 3.29Å; E27-R44 PolarHBondContact N-O 2.87Å; E27-R44 PolarHBondContact O-N 2.86Å; E27-R44 IonicContact OE1-CZ 3.7Å; E27-R44 IonicContact OE1-NE 3.5Å; E27-R44 PolarHBondContact OE1-NE 3Å; E27-R44 IonicContact OE1-NH2 3.59Å; E27-R44 PolarHBondContact OE1-NH2 3.37Å; E27-R44 IonicContact OE2-CZ 3.46Å; E27-R44 IonicContact OE2-NE 2.97Å; E27-R44 PolarHBondContact OE2-NE 2.82Å; E27-R44 IonicContact OE2-NH2 2.79Å
28I98.2Very high97Very high45 Ų4577.6 Ų77.623%0.23138%0.377CS..EExtended strand (participates in β ladder)trans-121.6118.2173.4-60.2178.1000108.3I25 R41 I43 L64 V66I25-I28 HydrophobicContact CG2-CD1 4.05Å; I25-I28 HydrophobicContact CG2-CG1 3.71Å; I28-R41 HydrophobicContact CG2-CB 4.34Å; I28-R41 HydrophobicContact CG2-CG 4.49Å; I28-I43 HydrophobicContact CG1-CD1 4.31Å; I28-I43 HydrophobicContact CG1-CG1 4.23Å; I28-I43 HydrophobicContact CG1-CG2 4.17Å; I28-I43 HydrophobicContact CG2-CG1 4.31Å; I28-L64 HydrophobicContact CD1-CB 4.08Å; I28-L64 WeakPolarHBondContact CD1-O 3.1Å; I28-V66 HydrophobicContact CG1-CG2 4.19Å
29G97.4Very high97Very high22 Ų2271.3 Ų71.323%0.22736%0.355CS..PPolyproline II helixtrans-69.6164.6174.600000113.1R41 L42G29-R41 PolarHBondContact O-NH1 3.34Å; G29-L42 WeakPolarHBondContact CA-O 3.34Å; G29-L42 PolarHBondContact N-O 2.85Å
30P96.2Very high96.9Very high110 Ų11072.2 Ų72.271%0.71436%0.361SS*.PPolyproline II helixtrans-60.8150.2174.128-35000110.7R32P30-R32 PolarHBondContact O-N 2.92Å
31P96.2Very high96.9Very high64 Ų6474 Ų7442%0.41637%0.366SS..PPolyproline II helixtrans-66.1136.4175.630.4-31.1000109.1R41P31-R41 HydrophobicContact CB-CG 4.17Å
32R96.4Very high96.8Very high133 Ų13377.5 Ų77.550%0.50238%0.384SS..EExtended strand (participates in β ladder)trans-115.2121.1171.5-179.4178.4174.6-145.3-2.6109P30 V40 R81P30-R32 PolarHBondContact O-N 2.92Å; R32-V40 HydrophobicContact CB-CG1 4.3Å; R32-V40 PolarHBondContact N-O 2.74Å; R32-V40 WeakPolarHBondContact O-CG1 3.28Å; R32-V40 PolarHBondContact O-N 3.39Å; R32-R81 VanDerWaalsContact CZ-NH2 3.3Å; R32-R81 VanDerWaalsContact NH1-CZ 3.25Å
33R96.8Very high96.8Very high167 Ų16773.4 Ų73.463%0.6337%0.365SS*.EExtended strand (participates in β ladder)trans-74.8127.8173.2-168.1149.5-72.7-162.7-5.9111H38 D39R33-H38 WeakPolarHBondContact CA-O 3.49Å; R33-D39 WeakPolarHBondContact CA-OD1 3.47Å; R33-D39 WeakPolarHBondContact CB-OD1 3.41Å; R33-D39 IonicContact CZ-OD1 3.52Å; R33-D39 IonicContact CZ-OD2 3.69Å; R33-D39 IonicContact NE-OD1 2.73Å; R33-D39 PolarHBondContact NE-OD1 2.99Å; R33-D39 IonicContact NE-OD2 3.46Å; R33-D39 IonicContact NH2-OD1 3.42Å; R33-D39 PolarHBondContact NH2-OD1 3Å; R33-D39 IonicContact NH2-OD2 2.79Å; R33-D39 PolarHBondContact NH2-OD2 2.97Å
34T94.5Very high96.8Very high38 Ų3877.1 Ų77.123%0.23338%0.379CS..  trans-80.8166.817365.10000110.7D36 G37 H38 V40 W57T34-D36 PolarHBondContact O-N 2.99Å; T34-G37 PolarHBondContact O-N 3.09Å; T34-H38 WeakPolarHBondContact CB-O 3.31Å; T34-H38 WeakPolarHBondContact CG2-O 3.34Å; T34-H38 PolarHBondContact N-O 2.85Å; T34-H38 WeakPolarHBondContact OG1-CB 3.04Å; T34-H38 PolarHBondContact OG1-N 3.22Å; T34-H38 VanDerWaalsContact OG1-N 3.09Å; T34-H38 PolarHBondContact OG1-O 2.91Å; T34-V40 HydrophobicContact CG2-CG1 4.07Å; T34-W57 HydrophobicContact CG2-CH2 4.24Å; T34-W57 HydrophobicContact CG2-CZ3 3.86Å
35R95.7Very high96.8Very high257 Ų25774 Ų7497%0.9736%0.363SS*.THydrogen-bonded Turntrans-64.6-27.3177.7-68.9-177.5179.7171.3-0.9112.6G37R35-G37 PolarHBondContact O-N 2.79Å
36D95.1Very high96.8Very high142 Ų14274.4 Ų74.476%0.75937%0.367SS*.THydrogen-bonded Turntrans-877.3-179.7-54.3-34.9000112.3T34T34-D36 PolarHBondContact O-N 2.99Å
37G95.7Very high96.8Very high44 Ų4473.7 Ų73.745%0.45436%0.363SS..SBendtrans89-5.2173.900000115.6T34 R35T34-G37 PolarHBondContact O-N 3.09Å; R35-G37 PolarHBondContact O-N 2.79Å
38H95Very high96.7Very high86 Ų8678.7 Ų78.740%0.39839%0.387SS..  trans-76.1145.7175.6-66.1-79.6000112.2R33 T34 W57 D58R33-H38 WeakPolarHBondContact CA-O 3.49Å; T34-H38 WeakPolarHBondContact CB-O 3.31Å; T34-H38 WeakPolarHBondContact CG2-O 3.34Å; T34-H38 PolarHBondContact N-O 2.85Å; T34-H38 WeakPolarHBondContact OG1-CB 3.04Å; T34-H38 PolarHBondContact OG1-N 3.22Å; T34-H38 VanDerWaalsContact OG1-N 3.09Å; T34-H38 PolarHBondContact OG1-O 2.91Å; H38-W57 HydrophobicContact CB-CE3 3.92Å; H38-W57 HydrophobicContact CB-CZ3 4Å; H38-D58 VanDerWaalsContact CA-OD1 3.28Å; H38-D58 WeakPolarHBondContact CA-OD1 3.23Å; H38-D58 WeakPolarHBondContact CB-OD1 3.22Å; H38-D58 IonicContact CE1-OD2 3.67Å; H38-D58 IonicContact CG-OD1 3.81Å; H38-D58 IonicContact CG-OD2 3.67Å; H38-D58 IonicContact ND1-OD1 3.37Å; H38-D58 PolarHBondContact ND1-OD1 2.93Å; H38-D58 IonicContact ND1-OD2 2.75Å; H38-D58 PolarHBondContact ND1-OD2 3.06Å
39D95.4Very high96.8Very high39 Ų3978.7 Ų78.721%0.20939%0.389CS..EExtended strand (participates in β ladder)trans-95.5134.7170.3-71.5-31.8000109.9R33 W57 D58R33-D39 WeakPolarHBondContact CA-OD1 3.47Å; R33-D39 WeakPolarHBondContact CB-OD1 3.41Å; R33-D39 IonicContact CZ-OD1 3.52Å; R33-D39 IonicContact CZ-OD2 3.69Å; R33-D39 IonicContact NE-OD1 2.73Å; R33-D39 PolarHBondContact NE-OD1 2.99Å; R33-D39 IonicContact NE-OD2 3.46Å; R33-D39 IonicContact NH2-OD1 3.42Å; R33-D39 PolarHBondContact NH2-OD1 3Å; R33-D39 IonicContact NH2-OD2 2.79Å; R33-D39 PolarHBondContact NH2-OD2 2.97Å; D39-W57 CarbonylContact O-C 3.54Å; D39-W57 WeakPolarHBondContact O-CA 3.31Å; D39-D58 PolarHBondContact N-OD1 3.21Å; D39-D58 PolarHBondContact O-N 2.82Å
40V95.1Very high96.8Very high23 Ų2379.1 Ų79.114%0.13939%0.393CS..EExtended strand (participates in β ladder)trans-125.4135.1174.262.10000110.2R32 T34 A56 W57R32-V40 HydrophobicContact CB-CG1 4.3Å; R32-V40 PolarHBondContact N-O 2.74Å; R32-V40 WeakPolarHBondContact O-CG1 3.28Å; R32-V40 PolarHBondContact O-N 3.39Å; T34-V40 HydrophobicContact CG2-CG1 4.07Å; V40-A56 WeakPolarHBondContact CA-O 3.36Å; V40-W57 HydrophobicContact CB-CD2 4.21Å; V40-W57 HydrophobicContact CB-CE3 4.18Å; V40-W57 HydrophobicContact CB-CZ3 4.36Å; V40-W57 HydrophobicContact CG2-CD2 4.17Å; V40-W57 HydrophobicContact CG2-CZ2 4.27Å
41R95.8Very high96.9Very high61 Ų6176.9 Ų76.923%0.2338%0.38CS..EExtended strand (participates in β ladder)trans-112.9131.6172.1-69172.6-177.2-91.86.1109.1I28 G29 P31 I43 S55 A56 G61I28-R41 HydrophobicContact CG2-CB 4.34Å; I28-R41 HydrophobicContact CG2-CG 4.49Å; G29-R41 PolarHBondContact O-NH1 3.34Å; P31-R41 HydrophobicContact CB-CG 4.17Å; R41-I43 HydrophobicContact CB-CG1 4.33Å; R41-S55 WeakPolarHBondContact O-CA 3.39Å; R41-A56 PolarHBondContact N-O 2.81Å; R41-A56 PolarHBondContact O-N 3.47Å; R41-G61 VanDerWaalsContact CD-O 3.26Å; R41-G61 WeakPolarHBondContact CD-O 3.34Å
42L97.3Very high97.1Very high75 Ų7574.4 Ų74.439%0.39336%0.364SS..EExtended strand (participates in β ladder)trans-85.7122.2168.2-166.470.8000107.9G29 N53 T85G29-L42 WeakPolarHBondContact CA-O 3.34Å; G29-L42 PolarHBondContact N-O 2.85Å; L42-N53 HydrophobicContact CD1-CB 3.81Å; L42-N53 HydrophobicContact CG-CB 4.34Å; L42-T85 HydrophobicContact CD1-CG2 4.29Å
43I98.1Very high97.2Very high1 Ų169.9 Ų69.91%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-117.8132.7-175.1-57.4-174.1000108.3I25 E27 I28 R41 I45 N53 L54 A56 L64I25-I43 HydrophobicContact CD1-CG2 4.4Å; I25-I43 HydrophobicContact CG1-CG2 4.32Å; I25-I43 HydrophobicContact CG2-CG2 3.68Å; E27-I43 CarbonylContact O-C 3.53Å; E27-I43 VanDerWaalsContact O-CA 3.31Å; E27-I43 WeakPolarHBondContact O-CA 3.45Å; E27-I43 WeakPolarHBondContact O-CG2 3.26Å; I28-I43 HydrophobicContact CG1-CD1 4.31Å; I28-I43 HydrophobicContact CG1-CG1 4.23Å; I28-I43 HydrophobicContact CG1-CG2 4.17Å; I28-I43 HydrophobicContact CG2-CG1 4.31Å; R41-I43 HydrophobicContact CB-CG1 4.33Å; I43-I45 HydrophobicContact CG2-CG2 3.78Å; I43-N53 CarbonylContact O-C 3.47Å; I43-N53 WeakPolarHBondContact O-CA 3.32Å; I43-L54 HydrophobicContact CB-CB 4.47Å; I43-L54 HydrophobicContact CB-CD2 4.48Å; I43-L54 HydrophobicContact CD1-CD2 4.36Å; I43-L54 PolarHBondContact N-O 2.86Å; I43-L54 PolarHBondContact O-N 3.37Å; I43-A56 HydrophobicContact CD1-CB 3.54Å; I43-A56 HydrophobicContact CG1-CB 4.34Å; I43-L64 HydrophobicContact CD1-CD1 3.61Å
44R98.6Very high97.2Very high83 Ų8362 Ų6231%0.31332%0.32SS..EExtended strand (participates in β ladder)trans-90116.9170.1-167.8161.468.396.4-1.2108.6L26 E27L26-R44 HydrophobicContact CB-CB 4.49Å; L26-R44 WeakPolarHBondContact CB-O 3.27Å; L26-R44 PolarHBondContact N-O 3.49Å; E27-R44 HydrophobicContact CB-CB 4.06Å; E27-R44 VanDerWaalsContact CD-NE 3.32Å; E27-R44 VanDerWaalsContact CD-NH2 3.29Å; E27-R44 PolarHBondContact N-O 2.87Å; E27-R44 PolarHBondContact O-N 2.86Å; E27-R44 IonicContact OE1-CZ 3.7Å; E27-R44 IonicContact OE1-NE 3.5Å; E27-R44 PolarHBondContact OE1-NE 3Å; E27-R44 IonicContact OE1-NH2 3.59Å; E27-R44 PolarHBondContact OE1-NH2 3.37Å; E27-R44 IonicContact OE2-CZ 3.46Å; E27-R44 IonicContact OE2-NE 2.97Å; E27-R44 PolarHBondContact OE2-NE 2.82Å; E27-R44 IonicContact OE2-NH2 2.79Å
45I98.8Very high97.3Very high0 Ų060.5 Ų60.50%031%0.311CS..EExtended strand (participates in β ladder)trans-113.1150.717961.7162.9000110.1I9 L21 F23 I24 I25 I43 S51 V52 L54I9-I45 HydrophobicContact CD1-CD1 4.41Å; I9-I45 HydrophobicContact CD1-CG1 4.38Å; L21-I45 HydrophobicContact CD1-CD1 4.45Å; F23-I45 HydrophobicContact CB-CB 4.16Å; F23-I45 HydrophobicContact CB-CD1 4.38Å; F23-I45 HydrophobicContact CD1-CD1 3.6Å; F23-I45 HydrophobicContact CD2-CB 3.53Å; F23-I45 HydrophobicContact CD2-CD1 4.03Å; F23-I45 HydrophobicContact CD2-CG1 4.38Å; F23-I45 HydrophobicContact CD2-CG2 3.48Å; F23-I45 VanDerWaalsContact CD2-CG2 3.48Å; F23-I45 HydrophobicContact CE1-CD1 3.7Å; F23-I45 HydrophobicContact CE2-CB 3.98Å; F23-I45 HydrophobicContact CE2-CD1 4.12Å; F23-I45 HydrophobicContact CE2-CG2 3.44Å; F23-I45 VanDerWaalsContact CE2-CG2 3.44Å; F23-I45 HydrophobicContact CG-CB 3.85Å; F23-I45 HydrophobicContact CG-CD1 3.75Å; F23-I45 HydrophobicContact CG-CG1 4.35Å; F23-I45 HydrophobicContact CG-CG2 4.27Å; F23-I45 HydrophobicContact CZ-CD1 3.95Å; F23-I45 HydrophobicContact CZ-CG2 4.19Å; I24-I45 WeakPolarHBondContact O-CA 3.41Å; I25-I45 HydrophobicContact CG1-CG2 4.38Å; I43-I45 HydrophobicContact CG2-CG2 3.78Å; I45-S51 CarbonylContact O-C 3.54Å; I45-S51 WeakPolarHBondContact O-CA 3.39Å; I45-S51 WeakPolarHBondContact O-CB 3.28Å; I45-V52 HydrophobicContact CD1-CG1 3.8Å; I45-V52 HydrophobicContact CG1-CG1 3.67Å; I45-V52 VanDerWaalsContact CG1-O 3.28Å; I45-V52 WeakPolarHBondContact CG1-O 3.26Å; I45-V52 PolarHBondContact N-O 2.7Å; I45-V52 PolarHBondContact O-N 3.46Å; I45-L54 HydrophobicContact CD1-CB 4.07Å; I45-L54 HydrophobicContact CD1-CD1 4.01Å; I45-L54 HydrophobicContact CG1-CB 4.2Å; I45-L54 HydrophobicContact CG2-CB 4.09Å
46A98.8Very high97.3Very high12 Ų1248.4 Ų48.410%0.09927%0.266CS..EExtended strand (participates in β ladder)trans-144.7156.3-179.800000113.9F23 I24 L26 G50F23-A46 CarbonylContact C-O 3.57Å; F23-A46 VanDerWaalsContact CA-O 3.26Å; F23-A46 WeakPolarHBondContact CA-O 3.49Å; F23-A46 VanDerWaalsContact CB-O 3.27Å; F23-A46 WeakPolarHBondContact CB-O 3.34Å; I24-A46 HydrophobicContact CG2-CB 4.44Å; I24-A46 PolarHBondContact N-O 2.84Å; I24-A46 PolarHBondContact O-N 3.31Å; L26-A46 HydrophobicContact CD1-CB 3.47Å; L26-A46 VanDerWaalsContact CD1-CB 3.47Å; L26-A46 HydrophobicContact CD2-CB 4.34Å; L26-A46 HydrophobicContact CG-CB 3.87Å; A46-G50 VanDerWaalsContact CA-O 3.3Å; A46-G50 WeakPolarHBondContact CA-O 3.45Å; A46-G50 WeakPolarHBondContact CB-O 3.18Å
47D98.6Very high97.2Very high43 Ų4346.3 Ų46.323%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-129.7-170.3164.672.18.8000108.9C8 I9 T49 G50C8-D47 WeakPolarHBondContact CA-OD2 3.32Å; I9-D47 HydrophobicContact CD1-CB 4.1Å; I9-D47 HydrophobicContact CG1-CB 4.34Å; I9-D47 PolarHBondContact N-OD2 3.5Å; D47-T49 PolarHBondContact O-N 2.99Å; D47-T49 VanDerWaalsContact O-N 3.15Å; D47-T49 VanDerWaalsContact OD1-CA 3.31Å; D47-T49 WeakPolarHBondContact OD1-CA 3.42Å; D47-T49 WeakPolarHBondContact OD1-CB 3.49Å; D47-T49 PolarHBondContact OD1-N 3.2Å; D47-T49 PolarHBondContact OD1-OG1 2.95Å; D47-T49 PolarHBondContact OD2-OG1 2.82Å; D47-G50 PolarHBondContact N-O 3.22Å; D47-G50 PolarHBondContact OD1-N 2.92Å; D47-G50 VanDerWaalsContact OD1-N 3.08Å
48Q98.1Very high97.1Very high208 Ų20846.2 Ų46.297%0.97224%0.236SC*.THydrogen-bonded Turntrans-66.6-12.8-179.8-63.8179.8-7.500113.9
49T98.7Very high96.9Very high45 Ų4549.4 Ų49.428%0.27625%0.251SS..THydrogen-bonded Turntrans-104.4-21.2-173.3750000113.7C8 I9 R10 D47C8-T49 HydrophobicContact CB-CG2 3.66Å; I9-T49 PolarHBondContact N-OG1 2.79Å; R10-T49 WeakPolarHBondContact CB-OG1 3.38Å; R10-T49 PolarHBondContact N-OG1 2.78Å; R10-T49 VanDerWaalsContact N-OG1 3.08Å; D47-T49 PolarHBondContact O-N 2.99Å; D47-T49 VanDerWaalsContact O-N 3.15Å; D47-T49 VanDerWaalsContact OD1-CA 3.31Å; D47-T49 WeakPolarHBondContact OD1-CA 3.42Å; D47-T49 WeakPolarHBondContact OD1-CB 3.49Å; D47-T49 PolarHBondContact OD1-N 3.2Å; D47-T49 PolarHBondContact OD1-OG1 2.95Å; D47-T49 PolarHBondContact OD2-OG1 2.82Å
50G98.5Very high96.7Very high30 Ų3051 Ų5131%0.30926%0.26SS..EExtended strand (participates in β ladder)trans168.6-170.3179.100000113.6A46 D47A46-G50 VanDerWaalsContact CA-O 3.3Å; A46-G50 WeakPolarHBondContact CA-O 3.45Å; A46-G50 WeakPolarHBondContact CB-O 3.18Å; D47-G50 PolarHBondContact N-O 3.22Å; D47-G50 PolarHBondContact OD1-N 2.92Å; D47-G50 VanDerWaalsContact OD1-N 3.08Å
51S98.7Very high96.5Very high64 Ų6450.1 Ų50.145%0.44825%0.254SS..EExtended strand (participates in β ladder)trans-132.4151.217670.10000111.3I45I45-S51 CarbonylContact O-C 3.54Å; I45-S51 WeakPolarHBondContact O-CA 3.39Å; I45-S51 WeakPolarHBondContact O-CB 3.28Å
52V98.7Very high96.4Very high12 Ų1250.8 Ų50.87%0.07327%0.269CS..EExtended strand (participates in β ladder)trans-143.5160177.5700000109.5I9 L12 I45 L84 V86I9-V52 HydrophobicContact CD1-CG1 4.36Å; I9-V52 HydrophobicContact CG2-CB 3.95Å; I9-V52 HydrophobicContact CG2-CG1 3.95Å; L12-V52 HydrophobicContact CD1-CB 4.28Å; L12-V52 HydrophobicContact CD1-CG1 3.78Å; L12-V52 HydrophobicContact CD1-CG2 4.36Å; I45-V52 HydrophobicContact CD1-CG1 3.8Å; I45-V52 HydrophobicContact CG1-CG1 3.67Å; I45-V52 VanDerWaalsContact CG1-O 3.28Å; I45-V52 WeakPolarHBondContact CG1-O 3.26Å; I45-V52 PolarHBondContact N-O 2.7Å; I45-V52 PolarHBondContact O-N 3.46Å; V52-L84 HydrophobicContact CG2-CB 4.38Å; V52-L84 HydrophobicContact CG2-CD2 4.27Å; V52-L84 HydrophobicContact CG2-CG 4.08Å; V52-L84 WeakPolarHBondContact CG2-O 3.44Å; V52-V86 HydrophobicContact CG1-CG2 3.84Å; V52-V86 HydrophobicContact CG2-CG2 4.24Å
53N98.5Very high96.2Very high38 Ų3850.9 Ų50.920%0.20328%0.28CS..EExtended strand (participates in β ladder)trans-76.2145.4170-70.5-17.9000110.5L42 I43 T85 V86L42-N53 HydrophobicContact CD1-CB 3.81Å; L42-N53 HydrophobicContact CG-CB 4.34Å; I43-N53 CarbonylContact O-C 3.47Å; I43-N53 WeakPolarHBondContact O-CA 3.32Å; N53-T85 HydrophobicContact CB-CG2 4.07Å; N53-T85 CarbonylContact O-C 3.54Å; N53-T85 WeakPolarHBondContact O-CA 3.37Å; N53-V86 PolarHBondContact O-N 2.94Å
54L98.3Very high96.1Very high1 Ų151.9 Ų51.91%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-125.3133.6167.3-179.5147.8000109.1F23 I43 I45 A56 L72 V86 L94F23-L54 HydrophobicContact CE1-CD1 4.26Å; F23-L54 HydrophobicContact CE2-CD1 4.49Å; F23-L54 HydrophobicContact CZ-CD1 3.72Å; I43-L54 HydrophobicContact CB-CB 4.47Å; I43-L54 HydrophobicContact CB-CD2 4.48Å; I43-L54 HydrophobicContact CD1-CD2 4.36Å; I43-L54 PolarHBondContact N-O 2.86Å; I43-L54 PolarHBondContact O-N 3.37Å; I45-L54 HydrophobicContact CD1-CB 4.07Å; I45-L54 HydrophobicContact CD1-CD1 4.01Å; I45-L54 HydrophobicContact CG1-CB 4.2Å; I45-L54 HydrophobicContact CG2-CB 4.09Å; L54-A56 HydrophobicContact CD2-CB 3.82Å; L54-L72 HydrophobicContact CD1-CD2 4.41Å; L54-V86 CarbonylContact C-O 3.56Å; L54-V86 WeakPolarHBondContact CA-O 3.36Å; L54-V86 HydrophobicContact CD1-CG1 4.47Å; L54-L94 HydrophobicContact CD1-CD2 4.5Å; L54-L94 HydrophobicContact CD2-CD2 4.23Å
55S96.5Very high96Very high6 Ų651.1 Ų51.14%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-94.8113.4170.5-65.20000109.4R41 T85 V86 N87R41-S55 WeakPolarHBondContact O-CA 3.39Å; S55-T85 VanDerWaalsContact OG-CG2 3.31Å; S55-T85 WeakPolarHBondContact OG-CG2 3.42Å; S55-V86 PolarHBondContact N-O 2.64Å; S55-N87 VanDerWaalsContact CB-OD1 3.31Å; S55-N87 WeakPolarHBondContact CB-OD1 3.17Å
56A94.2Very high96Very high3 Ų355.5 Ų55.53%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-103.6132.2174.700000109.8V40 R41 I43 L54 I60 G61 L64V40-A56 WeakPolarHBondContact CA-O 3.36Å; R41-A56 PolarHBondContact N-O 2.81Å; R41-A56 PolarHBondContact O-N 3.47Å; I43-A56 HydrophobicContact CD1-CB 3.54Å; I43-A56 HydrophobicContact CG1-CB 4.34Å; L54-A56 HydrophobicContact CD2-CB 3.82Å; A56-I60 HydrophobicContact CB-CG2 4.49Å; A56-G61 VanDerWaalsContact CB-CA 3.47Å; A56-L64 HydrophobicContact CB-CD1 4.23Å
57W93.7Very high96Very high99 Ų9956 Ų5638%0.37533%0.326SS..EExtended strand (participates in β ladder)trans-106.7141.8-172.1-65.678000110.5T34 H38 D39 V40 E59 I60 G61T34-W57 HydrophobicContact CG2-CH2 4.24Å; T34-W57 HydrophobicContact CG2-CZ3 3.86Å; H38-W57 HydrophobicContact CB-CE3 3.92Å; H38-W57 HydrophobicContact CB-CZ3 4Å; D39-W57 CarbonylContact O-C 3.54Å; D39-W57 WeakPolarHBondContact O-CA 3.31Å; V40-W57 HydrophobicContact CB-CD2 4.21Å; V40-W57 HydrophobicContact CB-CE3 4.18Å; V40-W57 HydrophobicContact CB-CZ3 4.36Å; V40-W57 HydrophobicContact CG2-CD2 4.17Å; V40-W57 HydrophobicContact CG2-CZ2 4.27Å; W57-E59 PolarHBondContact O-N 2.81Å; W57-I60 WeakPolarHBondContact O-CB 3.31Å; W57-I60 PolarHBondContact O-N 3.3Å; W57-I60 VanDerWaalsContact O-N 3.1Å; W57-G61 PolarHBondContact O-N 2.91Å
58D93.4Very high96Very high41 Ų4154.2 Ų54.222%0.21932%0.316CS..Hα-helixtrans48.7-125.8169.4-53.2-48.6000113.7H38 D39 I60 G61 S62H38-D58 VanDerWaalsContact CA-OD1 3.28Å; H38-D58 WeakPolarHBondContact CA-OD1 3.23Å; H38-D58 WeakPolarHBondContact CB-OD1 3.22Å; H38-D58 IonicContact CE1-OD2 3.67Å; H38-D58 IonicContact CG-OD1 3.81Å; H38-D58 IonicContact CG-OD2 3.67Å; H38-D58 IonicContact ND1-OD1 3.37Å; H38-D58 PolarHBondContact ND1-OD1 2.93Å; H38-D58 IonicContact ND1-OD2 2.75Å; H38-D58 PolarHBondContact ND1-OD2 3.06Å; D39-D58 PolarHBondContact N-OD1 3.21Å; D39-D58 PolarHBondContact O-N 2.82Å; D58-I60 VanDerWaalsContact C-N 3.26Å; D58-I60 PolarHBondContact O-N 2.82Å; D58-G61 PolarHBondContact O-N 3.04Å; D58-S62 PolarHBondContact O-N 3.35Å; D58-S62 VanDerWaalsContact O-N 3.16Å; D58-S62 PolarHBondContact O-OG 2.92Å
59E91.7Very high96Very high153 Ų15346.9 Ų46.972%0.71528%0.283SS*.Hα-helixtrans-62.8-34.3-177.5-6277-164.100111.6W57 G61 S62 A63W57-E59 PolarHBondContact O-N 2.81Å; E59-G61 VanDerWaalsContact C-N 3.32Å; E59-G61 PolarHBondContact O-N 3.15Å; E59-S62 PolarHBondContact O-N 3.46Å; E59-S62 VanDerWaalsContact O-N 3.15Å; E59-A63 WeakPolarHBondContact O-CB 3.21Å; E59-A63 PolarHBondContact O-N 3.28Å
60I90.5Very high96Very high74 Ų7444.8 Ų44.838%0.37927%0.27SS..Hα-helixtrans-60.6-45.8176.7-60.4174.9000109.6A56 W57 D58 S62 L64 L94A56-I60 HydrophobicContact CB-CG2 4.49Å; W57-I60 WeakPolarHBondContact O-CB 3.31Å; W57-I60 PolarHBondContact O-N 3.3Å; W57-I60 VanDerWaalsContact O-N 3.1Å; D58-I60 VanDerWaalsContact C-N 3.26Å; D58-I60 PolarHBondContact O-N 2.82Å; I60-S62 VanDerWaalsContact C-N 3.27Å; I60-S62 PolarHBondContact O-N 3.46Å; I60-L64 WeakPolarHBondContact O-CD1 3.37Å; I60-L64 VanDerWaalsContact O-CG 3.32Å; I60-L64 WeakPolarHBondContact O-CG 3.44Å; I60-L94 HydrophobicContact CG2-CB 4.2Å; I60-L94 HydrophobicContact CG2-CD2 3.73Å; I60-L94 HydrophobicContact CG2-CG 4.35Å
61G91.6Very high96Very high3 Ų345.4 Ų45.43%0.03126%0.263CS..Hα-helixtrans-66.3-30.5178.300000113.3R41 A56 W57 D58 E59R41-G61 VanDerWaalsContact CD-O 3.26Å; R41-G61 WeakPolarHBondContact CD-O 3.34Å; A56-G61 VanDerWaalsContact CB-CA 3.47Å; W57-G61 PolarHBondContact O-N 2.91Å; D58-G61 PolarHBondContact O-N 3.04Å; E59-G61 VanDerWaalsContact C-N 3.32Å; E59-G61 PolarHBondContact O-N 3.15Å
62S93Very high95.9Very high76 Ų7642.3 Ų42.353%0.53124%0.242SC..Hα-helixtrans-85-20.2-176.8-56.70000113.6D58 E59 I60D58-S62 PolarHBondContact O-N 3.35Å; D58-S62 VanDerWaalsContact O-N 3.16Å; D58-S62 PolarHBondContact O-OG 2.92Å; E59-S62 PolarHBondContact O-N 3.46Å; E59-S62 VanDerWaalsContact O-N 3.15Å; I60-S62 VanDerWaalsContact C-N 3.27Å; I60-S62 PolarHBondContact O-N 3.46Å
63A93.8Very high95.8Very high77 Ų7742.9 Ų42.964%0.63625%0.245SC*.SBendtrans-83.8-8179.100000114.2E59E59-A63 WeakPolarHBondContact O-CB 3.21Å; E59-A63 PolarHBondContact O-N 3.28Å
64L95.2Very high95.7Very high21 Ų2143 Ų4311%0.1125%0.246CC..  trans-96.2145.7-175.4-63.8170.2000111.9I25 I28 I43 A56 I60 L94I25-L64 HydrophobicContact CD1-CB 3.71Å; I25-L64 HydrophobicContact CD1-CD1 3.97Å; I25-L64 HydrophobicContact CD1-CD2 3.87Å; I25-L64 HydrophobicContact CD1-CG 4.04Å; I28-L64 HydrophobicContact CD1-CB 4.08Å; I28-L64 WeakPolarHBondContact CD1-O 3.1Å; I43-L64 HydrophobicContact CD1-CD1 3.61Å; A56-L64 HydrophobicContact CB-CD1 4.23Å; I60-L64 WeakPolarHBondContact O-CD1 3.37Å; I60-L64 VanDerWaalsContact O-CG 3.32Å; I60-L64 WeakPolarHBondContact O-CG 3.44Å; L64-L94 HydrophobicContact CD1-CD2 3.76Å
65S97.7Very high95.6Very high67 Ų6743 Ų4347%0.46925%0.246SC..  trans-125155174.6-65.70000111.9G67 D68S65-G67 PolarHBondContact O-N 3.16Å; S65-D68 PolarHBondContact N-OD2 2.67Å; S65-D68 WeakPolarHBondContact O-CB 3.34Å; S65-D68 VanDerWaalsContact O-CG 3.3Å; S65-D68 PolarHBondContact O-N 3.39Å
66V98.5Very high95.6Very high92 Ų9247.5 Ų47.556%0.55826%0.263SS*.THydrogen-bonded Turntrans-61.9135.6170.3172.80000109.2I25 L26 I28I25-V66 HydrophobicContact CG2-CG2 4.47Å; L26-V66 VanDerWaalsContact O-CG1 3.23Å; L26-V66 WeakPolarHBondContact O-CG1 3.45Å; I28-V66 HydrophobicContact CG1-CG2 4.19Å
67G98.6Very high95.7Very high23 Ų2347.5 Ų47.524%0.23726%0.263CS..THydrogen-bonded Turntrans95.9-21.7-174.500000113.9I24 I25 S65 I69I24-G67 WeakPolarHBondContact CG1-O 3.4Å; I25-G67 PolarHBondContact O-N 2.87Å; S65-G67 PolarHBondContact O-N 3.16Å; G67-I69 PolarHBondContact O-N 3.15Å
68D98.6Very high95.9Very high6 Ų643.7 Ų43.73%0.03225%0.254CS..  trans-57.7134.1179.8-72.4-15.1000111.3I24 I25 S65 K96I24-D68 WeakPolarHBondContact CA-O 3.48Å; I25-D68 HydrophobicContact CD1-CB 4.17Å; I25-D68 HydrophobicContact CG1-CB 4.45Å; I25-D68 PolarHBondContact N-O 3.44Å; S65-D68 PolarHBondContact N-OD2 2.67Å; S65-D68 WeakPolarHBondContact O-CB 3.34Å; S65-D68 VanDerWaalsContact O-CG 3.3Å; S65-D68 PolarHBondContact O-N 3.39Å; D68-K96 HydrophobicContact CB-CD 4.3Å; D68-K96 HydrophobicContact CB-CG 4.44Å; D68-K96 WeakPolarHBondContact OD1-CE 3.29Å; D68-K96 IonicContact OD1-NZ 3.77Å; D68-K96 PolarHBondContact OD1-NZ 2.95Å; D68-K96 IonicContact OD2-NZ 3.75Å
69I98.7Very high96Very high54 Ų5449.4 Ų49.428%0.27727%0.274SS..EExtended strand (participates in β ladder)trans-92.2119.8168.5-54.4174.7000107.1Q22 F23 G67 I97 G98Q22-I69 HydrophobicContact CG-CG2 4.43Å; F23-I69 WeakPolarHBondContact O-CA 3.34Å; G67-I69 PolarHBondContact O-N 3.15Å; I69-I97 HydrophobicContact CB-CG1 4.34Å; I69-I97 HydrophobicContact CG2-CD1 4.04Å; I69-I97 HydrophobicContact CG2-CG1 3.83Å; I69-I97 VanDerWaalsContact O-CG1 3.32Å; I69-I97 WeakPolarHBondContact O-CG1 3.38Å; I69-I97 PolarHBondContact O-N 2.94Å; I69-G98 PolarHBondContact N-O 3.16Å; I69-G98 PolarHBondContact O-N 2.87Å
70C98.2Very high96.1Very high0 Ų046.1 Ų46.10%026%0.258CS..EExtended strand (participates in β ladder)trans-121.4157.9-177.1-58.30000111.6Q22 F23 L94 R95Q22-C70 WeakPolarHBondContact CA-O 3.42Å; F23-C70 HydrophobicContact CD2-CB 4.16Å; F23-C70 HydrophobicContact CE2-CB 3.61Å; F23-C70 HydrophobicContact CZ-CB 3.97Å; F23-C70 PolarHBondContact N-O 3.32Å; F23-C70 PolarHBondContact O-N 3.44Å; C70-L94 HydrophobicContact CB-CD1 3.93Å; C70-R95 CarbonylContact C-O 3.54Å; C70-R95 WeakPolarHBondContact CA-O 3.19Å; C70-R95 WeakPolarHBondContact CB-O 3.21Å
71R97.2Very high96.1Very high43 Ų4351.4 Ų51.416%0.16227%0.274CS..EExtended strand (participates in β ladder)trans-118.8128.6165.4177.6168.8-77.7155.8-5.1109.7E3 L21 V73 R95 I97E3-R71 WeakPolarHBondContact OE1-CD 3.32Å; E3-R71 IonicContact OE1-CZ 3.7Å; E3-R71 IonicContact OE1-NE 2.7Å; E3-R71 IonicContact OE1-NH1 2.7Å; E3-R71 PolarHBondContact OE1-NH1 3.18Å; E3-R71 IonicContact OE2-CZ 3.76Å; E3-R71 IonicContact OE2-NH1 3.5Å; E3-R71 PolarHBondContact OE2-NH1 2.95Å; L21-R71 CarbonylContact O-C 3.56Å; L21-R71 VanDerWaalsContact O-CA 3.28Å; L21-R71 WeakPolarHBondContact O-CA 3.26Å; R71-V73 HydrophobicContact CG-CG2 4.08Å; R71-R95 HydrophobicContact CB-CG 4.07Å; R71-R95 PolarHBondContact N-O 2.86Å; R71-R95 WeakPolarHBondContact O-CG 3.41Å; R71-R95 PolarHBondContact O-N 3.41Å; R71-I97 HydrophobicContact CB-CD1 4.32Å; R71-I97 HydrophobicContact CB-CG2 4.19Å
72L97.6Very high96.2Very high0 Ų054.4 Ų54.40%030%0.304CS..EExtended strand (participates in β ladder)trans-98.7130.3167.3175.465.7000108.5N20 L21 F23 L54 V86 C88 E93 L94N20-L72 CarbonylContact C-O 3.49Å; N20-L72 WeakPolarHBondContact CA-O 3.49Å; L21-L72 HydrophobicContact CB-CB 4.47Å; L21-L72 HydrophobicContact CD1-CD2 4.45Å; L21-L72 PolarHBondContact N-O 2.94Å; L21-L72 PolarHBondContact O-N 2.83Å; F23-L72 HydrophobicContact CE1-CB 3.76Å; F23-L72 HydrophobicContact CZ-CB 4.37Å; L54-L72 HydrophobicContact CD1-CD2 4.41Å; L72-V86 HydrophobicContact CD2-CG1 3.27Å; L72-C88 HydrophobicContact CD1-CB 3.83Å; L72-E93 CarbonylContact C-O 3.53Å; L72-E93 WeakPolarHBondContact CA-O 3.47Å; L72-L94 HydrophobicContact CB-CD1 4.24Å; L72-L94 HydrophobicContact CD1-CB 4.47Å
73V96.5Very high96.4Very high23 Ų2353.8 Ų53.814%0.13930%0.299CS..EExtended strand (participates in β ladder)trans-116.7135.8171.5178.80000108.5P4 N20 R71 G75 G92 E93P4-V73 HydrophobicContact CG-CG1 4.17Å; N20-V73 WeakPolarHBondContact OD1-CA 3.48Å; R71-V73 HydrophobicContact CG-CG2 4.08Å; V73-G75 VanDerWaalsContact C-N 3.32Å; V73-G75 PolarHBondContact O-N 2.78Å; V73-G92 CarbonylContact O-C 3.54Å; V73-G92 WeakPolarHBondContact O-CA 3.49Å; V73-E93 HydrophobicContact CB-CB 4.43Å; V73-E93 PolarHBondContact N-O 3.09Å; V73-E93 PolarHBondContact O-N 2.9Å
74N95.7Very high96.5Very high41 Ų4152.1 Ų52.122%0.21928%0.279CS..EExtended strand (participates in β ladder)trans55.743.1175.1-169.131.1000114.1Y18 I19 N20 L91Y18-N74 WeakPolarHBondContact CD1-OD1 3.45Å; I19-N74 PolarHBondContact O-N 3Å; I19-N74 VanDerWaalsContact O-N 3.15Å; N20-N74 PolarHBondContact OD1-N 3.1Å; N74-L91 VanDerWaalsContact ND2-CB 3.32Å; N74-L91 WeakPolarHBondContact ND2-CB 3.45Å; N74-L91 PolarHBondContact ND2-O 2.88Å
75G96.2Very high96.7Very high1 Ų151.2 Ų51.21%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-78.9177.2170.800000113.5Y18 I19 V73 N87Y18-G75 PolarHBondContact N-O 2.73Å; I19-G75 PolarHBondContact N-O 3.46Å; I19-G75 PolarHBondContact O-N 3.4Å; V73-G75 VanDerWaalsContact C-N 3.32Å; V73-G75 PolarHBondContact O-N 2.78Å; G75-N87 VanDerWaalsContact CA-O 3.29Å; G75-N87 WeakPolarHBondContact CA-O 3.42Å
76Y96.4Very high96.7Very high100 Ų10048 Ų4839%0.39225%0.252SS..EExtended strand (participates in β ladder)trans-142.9153.1172.965.2-82.6000111.1M16 V86 N87M16-Y76 WeakPolarHBondContact O-CA 3.5Å; Y76-V86 CarbonylContact O-C 3.56Å; Y76-V86 WeakPolarHBondContact O-CA 3.43Å; Y76-N87 HydrophobicContact CD1-CB 4.06Å; Y76-N87 HydrophobicContact CD2-CB 4.22Å; Y76-N87 HydrophobicContact CE1-CB 3.48Å; Y76-N87 VanDerWaalsContact CE1-CB 3.48Å; Y76-N87 HydrophobicContact CE2-CB 3.68Å; Y76-N87 HydrophobicContact CG-CB 4.4Å; Y76-N87 PolarHBondContact N-O 2.79Å; Y76-N87 PolarHBondContact O-N 3.19Å; Y76-N87 WeakPolarHBondContact OH-CB 3.49Å
77A97.6Very high96.6Very high4 Ų444.5 Ų44.53%0.03323%0.23CC..EExtended strand (participates in β ladder)trans-116138.9-179.800000110.9N15 M16 I19 L84 T85 V86N15-A77 PolarHBondContact N-O 3.36Å; M16-A77 HydrophobicContact CB-CB 4.46Å; M16-A77 PolarHBondContact O-N 3.34Å; I19-A77 HydrophobicContact CD1-CB 3.55Å; A77-L84 HydrophobicContact CB-CD1 4.04Å; A77-T85 WeakPolarHBondContact CA-O 3.32Å; A77-V86 HydrophobicContact CB-CG2 4.43Å
78G96.8Very high96.3Very high18 Ų1844.5 Ų44.519%0.18623%0.227CC..EExtended strand (participates in β ladder)trans-155.4177.2175.800000111T85G78-T85 PolarHBondContact N-O 3.43Å; G78-T85 PolarHBondContact O-N 3.35Å
79Y96.3Very high95.4Very high161 Ų16145.2 Ų45.263%0.63124%0.235SC*.EExtended strand (participates in β ladder)trans-86.7123.8174.7-75.6-68.8000110.8A14 C83 L84A14-Y79 HydrophobicContact CB-CD2 3.79Å; A14-Y79 HydrophobicContact CB-CE2 3.39Å; Y79-C83 WeakPolarHBondContact CA-O 3.11Å; Y79-L84 HydrophobicContact CE1-CB 4.4Å
80H92.8Very high94.6Very high84 Ų8453 Ų5339%0.38927%0.267SS..EExtended strand (participates in β ladder)trans-114.2116.7164.5-172.675.8000108.4G82 C83 T85H80-G82 PolarHBondContact O-N 2.79Å; H80-C83 PolarHBondContact N-O 2.88Å; H80-C83 PolarHBondContact O-N 3.42Å; H80-T85 HydrophobicContact CB-CG2 4.39Å
81R90.5Very high94.1Very high186 Ų18660.1 Ų60.170%0.70230%0.304SS*.THydrogen-bonded Turntrans52.440.1-179-62.7174.8160.5-169.3-12.9113.5R32 C83R32-R81 VanDerWaalsContact CZ-NH2 3.3Å; R32-R81 VanDerWaalsContact NH1-CZ 3.25Å; R81-C83 VanDerWaalsContact C-N 3.27Å; R81-C83 PolarHBondContact O-N 3.16Å
82G94.7Very high93.7Very high65 Ų6559 Ų5967%0.6731%0.306SS*.THydrogen-bonded Turntrans81.5-4.2-179.800000115.2H80H80-G82 PolarHBondContact O-N 2.79Å
83C96Very high93.5Very high63 Ų6363.3 Ų63.343%0.42633%0.326SS..EExtended strand (participates in β ladder)trans-103.6135.9178.4-61.50000111.4Y79 H80 R81 T85Y79-C83 WeakPolarHBondContact CA-O 3.11Å; H80-C83 PolarHBondContact N-O 2.88Å; H80-C83 PolarHBondContact O-N 3.42Å; R81-C83 VanDerWaalsContact C-N 3.27Å; R81-C83 PolarHBondContact O-N 3.16Å; C83-T85 PolarHBondContact O-N 3.18Å; C83-T85 PolarHBondContact O-OG1 3.43Å; C83-T85 VanDerWaalsContact O-OG1 3.09Å
84L97.9Very high93.4Very high43 Ų4363.5 Ų63.523%0.22533%0.326CS..EExtended strand (participates in β ladder)trans-59.4122.8168.6-175.664.8000108.9L12 A14 V52 A77 Y79L12-L84 HydrophobicContact CB-CD2 3.96Å; L12-L84 WeakPolarHBondContact O-CD2 3.13Å; A14-L84 HydrophobicContact CB-CD1 4.19Å; V52-L84 HydrophobicContact CG2-CB 4.38Å; V52-L84 HydrophobicContact CG2-CD2 4.27Å; V52-L84 HydrophobicContact CG2-CG 4.08Å; V52-L84 WeakPolarHBondContact CG2-O 3.44Å; A77-L84 HydrophobicContact CB-CD1 4.04Å; Y79-L84 HydrophobicContact CE1-CB 4.4Å
85T98.3Very high93.3Very high1 Ų165.3 Ų65.31%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-136.8129-174.9-56.10000109.8L42 N53 S55 A77 G78 H80 C83 N87L42-T85 HydrophobicContact CD1-CG2 4.29Å; N53-T85 HydrophobicContact CB-CG2 4.07Å; N53-T85 CarbonylContact O-C 3.54Å; N53-T85 WeakPolarHBondContact O-CA 3.37Å; S55-T85 VanDerWaalsContact OG-CG2 3.31Å; S55-T85 WeakPolarHBondContact OG-CG2 3.42Å; A77-T85 WeakPolarHBondContact CA-O 3.32Å; G78-T85 PolarHBondContact N-O 3.43Å; G78-T85 PolarHBondContact O-N 3.35Å; H80-T85 HydrophobicContact CB-CG2 4.39Å; C83-T85 PolarHBondContact O-N 3.18Å; C83-T85 PolarHBondContact O-OG1 3.43Å; C83-T85 VanDerWaalsContact O-OG1 3.09Å; T85-N87 PolarHBondContact O-ND2 3.33Å
86V98.4Very high93.3Very high0 Ų069.6 Ų69.60%035%0.348CS..EExtended strand (participates in β ladder)trans-87.1144.2174.4-178.70000109.5L12 L21 V52 N53 L54 S55 L72 Y76 A77L12-V86 HydrophobicContact CD1-CG2 3.73Å; L12-V86 HydrophobicContact CD2-CG2 4.49Å; L21-V86 HydrophobicContact CD1-CG1 4.3Å; L21-V86 HydrophobicContact CD1-CG2 4.29Å; V52-V86 HydrophobicContact CG1-CG2 3.84Å; V52-V86 HydrophobicContact CG2-CG2 4.24Å; N53-V86 PolarHBondContact O-N 2.94Å; L54-V86 CarbonylContact C-O 3.56Å; L54-V86 WeakPolarHBondContact CA-O 3.36Å; L54-V86 HydrophobicContact CD1-CG1 4.47Å; S55-V86 PolarHBondContact N-O 2.64Å; L72-V86 HydrophobicContact CD2-CG1 3.27Å; Y76-V86 CarbonylContact O-C 3.56Å; Y76-V86 WeakPolarHBondContact O-CA 3.43Å; A77-V86 HydrophobicContact CB-CG2 4.43Å
87N95.8Very high93.3Very high18 Ų1868.5 Ų68.510%0.09635%0.348CS..EExtended strand (participates in β ladder)trans-133.1143.1179.4-64-96.3000109.3S55 G75 Y76 T85S55-N87 VanDerWaalsContact CB-OD1 3.31Å; S55-N87 WeakPolarHBondContact CB-OD1 3.17Å; G75-N87 VanDerWaalsContact CA-O 3.29Å; G75-N87 WeakPolarHBondContact CA-O 3.42Å; Y76-N87 HydrophobicContact CD1-CB 4.06Å; Y76-N87 HydrophobicContact CD2-CB 4.22Å; Y76-N87 HydrophobicContact CE1-CB 3.48Å; Y76-N87 VanDerWaalsContact CE1-CB 3.48Å; Y76-N87 HydrophobicContact CE2-CB 3.68Å; Y76-N87 HydrophobicContact CG-CB 4.4Å; Y76-N87 PolarHBondContact N-O 2.79Å; Y76-N87 PolarHBondContact O-N 3.19Å; Y76-N87 WeakPolarHBondContact OH-CB 3.49Å; T85-N87 PolarHBondContact O-ND2 3.33Å
88C92.7Very high93.2Very high24 Ų2469.5 Ų69.516%0.16236%0.359CS..EExtended strand (participates in β ladder)trans-82.9111.7165.2-168.40000108.3L72 L94L72-C88 HydrophobicContact CD1-CB 3.83Å; C88-L94 HydrophobicContact CB-CB 4.46Å
89G79.7Confident92.7Very high20 Ų2077.8 Ų77.821%0.20639%0.393CS..EExtended strand (participates in β ladder)trans-77.6176.5177.500000112.9L91 G92G89-L91 PolarHBondContact O-N 2.78Å; G89-L91 VanDerWaalsContact O-N 3.16Å; G89-G92 WeakPolarHBondContact O-CA 3.28Å; G89-G92 PolarHBondContact O-N 2.78Å
90K82Confident92.5Very high217 Ų21773.6 Ų73.694%0.94338%0.381SS*.EExtended strand (participates in β ladder)trans-57.2-29177.9-66.9-175.2177.1-176.10114.2
91L86.5Confident92.5Very high151 Ų15173.1 Ų73.179%0.79138%0.38SS*.EExtended strand (participates in β ladder)trans-99.94177.1-59178.8000112.3N74 G89N74-L91 VanDerWaalsContact ND2-CB 3.32Å; N74-L91 WeakPolarHBondContact ND2-CB 3.45Å; N74-L91 PolarHBondContact ND2-O 2.88Å; G89-L91 PolarHBondContact O-N 2.78Å; G89-L91 VanDerWaalsContact O-N 3.16Å
92G89.8Confident92.6Very high19 Ų1966.8 Ų66.820%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-92.9161.5178.300000111.2V73 G89V73-G92 CarbonylContact O-C 3.54Å; V73-G92 WeakPolarHBondContact O-CA 3.49Å; G89-G92 WeakPolarHBondContact O-CA 3.28Å; G89-G92 PolarHBondContact O-N 2.78Å
93E93Very high92.4Very high90 Ų9066.9 Ų66.942%0.42134%0.344SS..EExtended strand (participates in β ladder)trans-131.7133.1175.7-169.6-166.7156.600108.8L72 V73 R95L72-E93 CarbonylContact C-O 3.53Å; L72-E93 WeakPolarHBondContact CA-O 3.47Å; V73-E93 HydrophobicContact CB-CB 4.43Å; V73-E93 PolarHBondContact N-O 3.09Å; V73-E93 PolarHBondContact O-N 2.9Å; E93-R95 IonicContact OE1-CZ 2.67Å; E93-R95 IonicContact OE1-NE 2.64Å; E93-R95 PolarHBondContact OE1-NE 2.75Å; E93-R95 IonicContact OE1-NH2 3.52Å; E93-R95 PolarHBondContact OE1-NH2 3.1Å; E93-R95 IonicContact OE2-CZ 3.78Å; E93-R95 IonicContact OE2-NE 3.66Å; E93-R95 IonicContact OE2-NH2 3.76Å; E93-R95 PolarHBondContact OE2-NH2 3.43Å
94L95.2Very high92.2Very high27 Ų2767.1 Ų67.114%0.14134%0.339CS..EExtended strand (participates in β ladder)trans-116.7113.5170-179.758.9000108.4F23 L54 I60 L64 C70 L72 C88F23-L94 HydrophobicContact CE1-CD1 4.37Å; F23-L94 HydrophobicContact CE2-CD1 4.35Å; F23-L94 HydrophobicContact CZ-CD1 3.57Å; L54-L94 HydrophobicContact CD1-CD2 4.5Å; L54-L94 HydrophobicContact CD2-CD2 4.23Å; I60-L94 HydrophobicContact CG2-CB 4.2Å; I60-L94 HydrophobicContact CG2-CD2 3.73Å; I60-L94 HydrophobicContact CG2-CG 4.35Å; L64-L94 HydrophobicContact CD1-CD2 3.76Å; C70-L94 HydrophobicContact CB-CD1 3.93Å; L72-L94 HydrophobicContact CB-CD1 4.24Å; L72-L94 HydrophobicContact CD1-CB 4.47Å; C88-L94 HydrophobicContact CB-CB 4.46Å
95R93.3Very high91.8Very high80 Ų8068.7 Ų68.730%0.30235%0.347SS..EExtended strand (participates in β ladder)trans-122.7139.3-176.960.7171.987.8142.213.1111.3E3 C70 R71 E93 I97E3-R95 IonicContact OE1-CZ 2.81Å; E3-R95 IonicContact OE1-NH1 2.78Å; E3-R95 PolarHBondContact OE1-NH1 3.37Å; C70-R95 CarbonylContact C-O 3.54Å; C70-R95 WeakPolarHBondContact CA-O 3.19Å; C70-R95 WeakPolarHBondContact CB-O 3.21Å; R71-R95 HydrophobicContact CB-CG 4.07Å; R71-R95 PolarHBondContact N-O 2.86Å; R71-R95 WeakPolarHBondContact O-CG 3.41Å; R71-R95 PolarHBondContact O-N 3.41Å; E93-R95 IonicContact OE1-CZ 2.67Å; E93-R95 IonicContact OE1-NE 2.64Å; E93-R95 PolarHBondContact OE1-NE 2.75Å; E93-R95 IonicContact OE1-NH2 3.52Å; E93-R95 PolarHBondContact OE1-NH2 3.1Å; E93-R95 IonicContact OE2-CZ 3.78Å; E93-R95 IonicContact OE2-NE 3.66Å; E93-R95 IonicContact OE2-NH2 3.76Å; E93-R95 PolarHBondContact OE2-NH2 3.43Å; R95-I97 HydrophobicContact CG-CG2 3.96Å
96K95.9Very high91.4Very high91 Ų9173.6 Ų73.640%0.39637%0.371SS..EExtended strand (participates in β ladder)trans-75.3135.3165.1-179.6173.3172.91660109.2D68 G98 E99D68-K96 HydrophobicContact CB-CD 4.3Å; D68-K96 HydrophobicContact CB-CG 4.44Å; D68-K96 WeakPolarHBondContact OD1-CE 3.29Å; D68-K96 IonicContact OD1-NZ 3.77Å; D68-K96 PolarHBondContact OD1-NZ 2.95Å; D68-K96 IonicContact OD2-NZ 3.75Å; K96-G98 WeakPolarHBondContact CE-O 3.32Å; K96-E99 WeakPolarHBondContact CE-OE1 3.44Å; K96-E99 VanDerWaalsContact NZ-CD 3.33Å; K96-E99 VanDerWaalsContact NZ-CG 3.29Å; K96-E99 IonicContact NZ-OE1 2.88Å; K96-E99 PolarHBondContact NZ-OE1 2.87Å
97I96.6Very high90.8Very high77 Ų7779.2 Ų79.240%0.39540%0.399SS..EExtended strand (participates in β ladder)trans-127.9-6.5-178.764166.3000113Q22 I69 R71 R95Q22-I97 HydrophobicContact CG-CD1 3.93Å; I69-I97 HydrophobicContact CB-CG1 4.34Å; I69-I97 HydrophobicContact CG2-CD1 4.04Å; I69-I97 HydrophobicContact CG2-CG1 3.83Å; I69-I97 VanDerWaalsContact O-CG1 3.32Å; I69-I97 WeakPolarHBondContact O-CG1 3.38Å; I69-I97 PolarHBondContact O-N 2.94Å; R71-I97 HydrophobicContact CB-CD1 4.32Å; R71-I97 HydrophobicContact CB-CG2 4.19Å; R95-I97 HydrophobicContact CG-CG2 3.96Å
98G95.4Very high90.4Very high24 Ų2484.3 Ų84.325%0.24743%0.425CS..EExtended strand (participates in β ladder)trans-173.3177.5178.600000112.5I69 K96I69-G98 PolarHBondContact N-O 3.16Å; I69-G98 PolarHBondContact O-N 2.87Å; K96-G98 WeakPolarHBondContact CE-O 3.32Å
99E85.2Confident90.2Very high192 Ų19289.8 Ų89.890%0.89745%0.449SS*.  trans-136.30178-66.2-179.6-173.300109.4K96K96-E99 WeakPolarHBondContact CE-OE1 3.44Å; K96-E99 VanDerWaalsContact NZ-CD 3.33Å; K96-E99 VanDerWaalsContact NZ-CG 3.29Å; K96-E99 IonicContact NZ-OE1 2.88Å; K96-E99 PolarHBondContact NZ-OE1 2.87Å

Retrieved 99 of 99 residues in 157.6 ms (Link to these results)

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