A0A5K4F6V8_SCHMA Loading...

tRNA-synt_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6V8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 65 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
1M73.1Confident92.6Very high184 Ų184115.6 Ų115.691%0.90663%0.628SS**  0-34.40-166.4147.6-79.600112.3Y3 F4 L5M1-Y3 VanDerWaalsContact C-N 3.29Å; M1-Y3 PolarHBondContact O-N 2.88Å; M1-F4 PolarHBondContact O-N 3.03Å; M1-L5 HydrophobicContact CG-CD1 4.24Å; M1-L5 HydrophobicContact CG-CG 4.26Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-L5 VanDerWaalsContact O-N 3.12Å
2E91.1Very high92.7Very high159 Ų159109.7 Ų109.774%0.74361%0.606SS**Hα-helixtrans-50-40.7175.5-169.7176.7-176.900114.8F4 L5 T6E2-F4 PolarHBondContact O-N 2.95Å; E2-L5 PolarHBondContact O-N 3.14Å; E2-T6 WeakPolarHBondContact O-CB 3.35Å; E2-T6 PolarHBondContact O-N 3.42Å; E2-T6 PolarHBondContact O-OG1 3.34Å
3Y93.7Very high92.9Very high181 Ų181108.2 Ų108.271%0.7161%0.605SS**Hα-helixtrans-53.4-53.1172.5169.2-100.1000112.5M1 L5 T6 A7M1-Y3 VanDerWaalsContact C-N 3.29Å; M1-Y3 PolarHBondContact O-N 2.88Å; Y3-L5 PolarHBondContact O-N 2.86Å; Y3-T6 PolarHBondContact O-N 3.18Å; Y3-A7 PolarHBondContact O-N 3.15Å; Y3-A7 VanDerWaalsContact O-N 3.08Å
4F95.5Very high93.1Very high140 Ų140110.5 Ų110.561%0.61463%0.626SS**Hα-helixtrans-64.4-41.5-179.3-86-74.2000111.7M1 E2 A7 L8M1-F4 PolarHBondContact O-N 3.03Å; E2-F4 PolarHBondContact O-N 2.95Å; F4-A7 PolarHBondContact O-N 3.02Å; F4-L8 WeakPolarHBondContact O-CB 3.33Å; F4-L8 VanDerWaalsContact O-CG 3.23Å; F4-L8 WeakPolarHBondContact O-CG 3.25Å; F4-L8 PolarHBondContact O-N 3.41Å
5L95.3Very high93.2Very high91 Ų91112.7 Ų112.748%0.47663%0.629SS.*Hα-helixtrans-65.2-40.4179.5-65.2176.2000112.2M1 E2 Y3 L8 N9M1-L5 HydrophobicContact CG-CD1 4.24Å; M1-L5 HydrophobicContact CG-CG 4.26Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-L5 VanDerWaalsContact O-N 3.12Å; E2-L5 PolarHBondContact O-N 3.14Å; Y3-L5 PolarHBondContact O-N 2.86Å; L5-L8 PolarHBondContact O-N 3.29Å; L5-N9 WeakPolarHBondContact O-CB 3.35Å; L5-N9 VanDerWaalsContact O-CG 3.23Å; L5-N9 PolarHBondContact O-N 3.3Å; L5-N9 PolarHBondContact O-ND2 3.08Å
6T96.6Very high93.3Very high83 Ų83110.8 Ų110.851%0.50964%0.642SS.*Hα-helixtrans-62.8-44.8175.7-55.60000111.2E2 Y3 N9 S10E2-T6 WeakPolarHBondContact O-CB 3.35Å; E2-T6 PolarHBondContact O-N 3.42Å; E2-T6 PolarHBondContact O-OG1 3.34Å; Y3-T6 PolarHBondContact O-N 3.18Å; T6-N9 PolarHBondContact O-N 2.84Å; T6-S10 PolarHBondContact O-N 3.27Å; T6-S10 VanDerWaalsContact O-N 3.1Å; T6-S10 PolarHBondContact O-OG 3.36Å
7A95.1Very high93.5Very high49 Ų49109.2 Ų109.241%0.40566%0.655SS.*Hα-helixtrans-62.5-42.9176.800000112.1Y3 F4 S10Y3-A7 PolarHBondContact O-N 3.15Å; Y3-A7 VanDerWaalsContact O-N 3.08Å; F4-A7 PolarHBondContact O-N 3.02Å; A7-S10 PolarHBondContact O-N 3.48Å
8L95.7Very high93.7Very high80 Ų80111.7 Ų111.742%0.41966%0.663SS.*Hα-helixtrans-65.5-42.2177.6-70.3171.1000112.1F4 L5 S10 G11 A12F4-L8 WeakPolarHBondContact O-CB 3.33Å; F4-L8 VanDerWaalsContact O-CG 3.23Å; F4-L8 WeakPolarHBondContact O-CG 3.25Å; F4-L8 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 3.29Å; L8-S10 PolarHBondContact O-N 2.81Å; L8-G11 PolarHBondContact O-N 3.17Å; L8-A12 HydrophobicContact CD2-CB 3.8Å; L8-A12 PolarHBondContact O-N 2.94Å; L8-A12 VanDerWaalsContact O-N 3.15Å
9N94.8Very high93.9Very high140 Ų140111 Ų11175%0.74967%0.671SS**Hα-helixtrans-68.8-16.7177.3-73.3-24000113.7L5 T6 G11L5-N9 WeakPolarHBondContact O-CB 3.35Å; L5-N9 VanDerWaalsContact O-CG 3.23Å; L5-N9 PolarHBondContact O-N 3.3Å; L5-N9 PolarHBondContact O-ND2 3.08Å; T6-N9 PolarHBondContact O-N 2.84Å; N9-G11 PolarHBondContact O-N 3.36Å; N9-G11 VanDerWaalsContact O-N 3.12Å
10S94.6Very high94Very high99 Ų99111.9 Ų111.969%0.69267%0.671SS**THydrogen-bonded Turntrans-77.515.3176.2-58.20000113.2T6 A7 L8T6-S10 PolarHBondContact O-N 3.27Å; T6-S10 VanDerWaalsContact O-N 3.1Å; T6-S10 PolarHBondContact O-OG 3.36Å; A7-S10 PolarHBondContact O-N 3.48Å; L8-S10 PolarHBondContact O-N 2.81Å
11G92.8Very high94.2Very high66 Ų66109 Ų10968%0.6866%0.664SS**THydrogen-bonded Turntrans97.632.2175.600000114.5L8 N9L8-G11 PolarHBondContact O-N 3.17Å; N9-G11 PolarHBondContact O-N 3.36Å; N9-G11 VanDerWaalsContact O-N 3.12Å
12A94.4Very high95.3Very high44 Ų44105.5 Ų105.536%0.36465%0.649SS.*  trans-63.3130.9174.700000110.9L8L8-A12 HydrophobicContact CD2-CB 3.8Å; L8-A12 PolarHBondContact O-N 2.94Å; L8-A12 VanDerWaalsContact O-N 3.15Å
13P95.4Very high95.6Very high91 Ų91101.8 Ų101.859%0.59163%0.634SS**  trans-71.4166.3-18030.7-35.9000111.7H15P13-H15 PolarHBondContact O-N 3.27Å; P13-H15 VanDerWaalsContact O-N 3.08Å; P13-H15 PolarHBondContact O-ND1 3.12Å
14P95Very high95.8Very high140 Ų140100.6 Ų100.691%0.90963%0.628SS**  trans-59.2115.716725.9-33.5000109.3
15H94.7Very high95.9Very high143 Ų14396.8 Ų96.866%0.66261%0.614SS**  trans-133.5149.2-177.361.4-69.3000110.2P13P13-H15 PolarHBondContact O-N 3.27Å; P13-H15 VanDerWaalsContact O-N 3.08Å; P13-H15 PolarHBondContact O-ND1 3.12Å
16G95.5Very high96Very high82 Ų8295.6 Ų95.685%0.84561%0.607SS**  trans-143.6146174.400000109
17G95.9Very high96.1Very high84 Ų8491.9 Ų91.987%0.86659%0.585SS**  trans-129.1161.9179.400000111.5
18I97.5Very high96.2Very high155 Ų15595 Ų9580%0.79559%0.594SS**  trans-132.8142.1171-172.1168.5000108.8L20I18-L20 HydrophobicContact CD1-CD2 4.33Å; I18-L20 HydrophobicContact CG1-CD2 4.5Å
19A97.5Very high96.3Very high98 Ų9898.5 Ų98.581%0.8161%0.606SS**  trans-123.1126.8173.800000109
20L96.6Very high96.4Very high129 Ų12996.3 Ų96.368%0.67560%0.597SS**  trans-95.4129.8177.9-61.4178.7000109.7I18 L22I18-L20 HydrophobicContact CD1-CD2 4.33Å; I18-L20 HydrophobicContact CG1-CD2 4.5Å; L20-L22 PolarHBondContact O-N 2.69Å
21G96.8Very high96.6Very high51 Ų5198.5 Ų98.553%0.52660%0.601SS.*  trans-7389.1170.300000110.3D23 R24 L25G21-D23 PolarHBondContact O-N 3.43Å; G21-R24 PolarHBondContact O-N 3.18Å; G21-L25 PolarHBondContact O-N 2.75Å
22L97.3Very high96.8Very high111 Ų11196.7 Ų96.758%0.58158%0.58SS**Hα-helixtrans-56.1-47.9-172.8-179.161.3000112.5L20 R24 L25 I26L20-L22 PolarHBondContact O-N 2.69Å; L22-R24 VanDerWaalsContact C-N 3.26Å; L22-R24 PolarHBondContact O-N 3.39Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 2.75Å; L22-L25 VanDerWaalsContact O-N 3.1Å; L22-I26 HydrophobicContact CD1-CD1 4.36Å; L22-I26 HydrophobicContact CD1-CG1 4.02Å; L22-I26 HydrophobicContact CG-CG1 4.44Å; L22-I26 WeakPolarHBondContact O-CG1 3.45Å; L22-I26 PolarHBondContact O-N 3.47Å
23D97.2Very high96.9Very high80 Ų80104.6 Ų104.643%0.42861%0.606SS.*Hα-helixtrans-59.3-41.4-178.8-47-83.7000111.3G21 A27 V38G21-D23 PolarHBondContact O-N 3.43Å; D23-A27 WeakPolarHBondContact O-CB 3.24Å; D23-A27 PolarHBondContact O-N 2.85Å; D23-V38 WeakPolarHBondContact O-CG2 2.85Å
24R97.2Very high96.8Very high156 Ų156102.3 Ų102.359%0.58959%0.592SS**Hα-helixtrans-69.4-41.1177.4-176.360.364.3104.86.2111.5G21 L22 I26 A27 I28 I35G21-R24 PolarHBondContact O-N 3.18Å; L22-R24 VanDerWaalsContact C-N 3.26Å; L22-R24 PolarHBondContact O-N 3.39Å; R24-I26 VanDerWaalsContact C-N 3.35Å; R24-A27 PolarHBondContact O-N 3.47Å; R24-I28 HydrophobicContact CG-CD1 4.11Å; R24-I28 WeakPolarHBondContact O-CG1 3.36Å; R24-I28 PolarHBondContact O-N 2.93Å; R24-I35 HydrophobicContact CB-CG2 4.49Å
25L97.7Very high96.9Very high60 Ų6098.7 Ų98.731%0.31457%0.565SS.*Hα-helixtrans-60-46.9178.8-17864.3000110.9G21 L22 I28 F29G21-L25 PolarHBondContact O-N 2.75Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 2.75Å; L22-L25 VanDerWaalsContact O-N 3.1Å; L25-I28 PolarHBondContact O-N 3.24Å; L25-F29 HydrophobicContact CD1-CE1 3.97Å; L25-F29 HydrophobicContact CD1-CE2 4.31Å; L25-F29 HydrophobicContact CD1-CZ 3.81Å; L25-F29 HydrophobicContact CG-CE2 4.13Å; L25-F29 HydrophobicContact CG-CZ 4.14Å; L25-F29 PolarHBondContact O-N 3.01Å; L25-F29 VanDerWaalsContact O-N 3.08Å
26I98Very high96.9Very high66 Ų6697.5 Ų97.534%0.33855%0.554SS.*Hα-helixtrans-65.9-43.5177.9-61.8-57.9000111.2L22 R24 I28 F29 V30 V38L22-I26 HydrophobicContact CD1-CD1 4.36Å; L22-I26 HydrophobicContact CD1-CG1 4.02Å; L22-I26 HydrophobicContact CG-CG1 4.44Å; L22-I26 WeakPolarHBondContact O-CG1 3.45Å; L22-I26 PolarHBondContact O-N 3.47Å; R24-I26 VanDerWaalsContact C-N 3.35Å; I26-I28 PolarHBondContact O-N 3.32Å; I26-F29 HydrophobicContact CD1-CD2 4.4Å; I26-F29 PolarHBondContact O-N 3.16Å; I26-V30 HydrophobicContact CG2-CG1 4.43Å; I26-V30 WeakPolarHBondContact O-CG2 3.35Å; I26-V30 PolarHBondContact O-N 3.2Å; I26-V38 HydrophobicContact CG2-CB 4.05Å; I26-V38 HydrophobicContact CG2-CG1 3.99Å
27A98Very high96.9Very high6 Ų698.9 Ų98.95%0.0554%0.542CS..Hα-helixtrans-56.3-38.3176.500000112.4D23 R24 N31 A32 I35 V38D23-A27 WeakPolarHBondContact O-CB 3.24Å; D23-A27 PolarHBondContact O-N 2.85Å; R24-A27 PolarHBondContact O-N 3.47Å; A27-N31 CarbonylContact O-C 3.6Å; A27-N31 WeakPolarHBondContact O-CA 3.43Å; A27-N31 PolarHBondContact O-N 3.1Å; A27-N31 VanDerWaalsContact O-N 3.13Å; A27-A32 HydrophobicContact CB-CB 4.14Å; A27-A32 PolarHBondContact O-N 3.06Å; A27-I35 HydrophobicContact CB-CG2 4.16Å; A27-V38 HydrophobicContact CB-CG1 4.25Å; A27-V38 HydrophobicContact CB-CG2 4.17Å
28I97.8Very high96.9Very high115 Ų11596.9 Ų96.959%0.5951%0.513SS*.Hα-helixtrans-67.3-46.5174.6-67.1164.6000110.9R24 L25 I26 V30 N31R24-I28 HydrophobicContact CG-CD1 4.11Å; R24-I28 WeakPolarHBondContact O-CG1 3.36Å; R24-I28 PolarHBondContact O-N 2.93Å; L25-I28 PolarHBondContact O-N 3.24Å; I26-I28 PolarHBondContact O-N 3.32Å; I28-V30 VanDerWaalsContact C-N 3.29Å; I28-V30 PolarHBondContact O-N 3.07Å; I28-N31 PolarHBondContact O-N 3.37Å; I28-N31 VanDerWaalsContact O-N 3.15Å
29F97.8Very high96.9Very high153 Ų15392.7 Ų92.767%0.67149%0.491SS*.Hα-helixtrans-61.1-35.6-178.8-75.4-7.5000113.7L25 I26L25-F29 HydrophobicContact CD1-CE1 3.97Å; L25-F29 HydrophobicContact CD1-CE2 4.31Å; L25-F29 HydrophobicContact CD1-CZ 3.81Å; L25-F29 HydrophobicContact CG-CE2 4.13Å; L25-F29 HydrophobicContact CG-CZ 4.14Å; L25-F29 PolarHBondContact O-N 3.01Å; L25-F29 VanDerWaalsContact O-N 3.08Å; I26-F29 HydrophobicContact CD1-CD2 4.4Å; I26-F29 PolarHBondContact O-N 3.16Å
30V97.8Very high96.8Very high93 Ų9392.4 Ų92.456%0.56449%0.489SS*.THydrogen-bonded Turntrans-96.34.6179.3-510000113.1I26 I28 A32 V38I26-V30 HydrophobicContact CG2-CG1 4.43Å; I26-V30 WeakPolarHBondContact O-CG2 3.35Å; I26-V30 PolarHBondContact O-N 3.2Å; I28-V30 VanDerWaalsContact C-N 3.29Å; I28-V30 PolarHBondContact O-N 3.07Å; V30-A32 HydrophobicContact CG2-CB 3.78Å; V30-A32 PolarHBondContact O-N 3.01Å; V30-V38 HydrophobicContact CG2-CG1 3.8Å
31N97.4Very high96.7Very high146 Ų14693.8 Ų93.878%0.78149%0.49SS*.THydrogen-bonded Turntrans51.539.8-174.9-162.626.3000113.2A27 I28A27-N31 CarbonylContact O-C 3.6Å; A27-N31 WeakPolarHBondContact O-CA 3.43Å; A27-N31 PolarHBondContact O-N 3.1Å; A27-N31 VanDerWaalsContact O-N 3.13Å; I28-N31 PolarHBondContact O-N 3.37Å; I28-N31 VanDerWaalsContact O-N 3.15Å
32A97.3Very high96.6Very high28 Ų2894.9 Ų94.923%0.23148%0.483CS..  trans-69.2141.2175.100000110.6A27 V30 S34 D37 V38A27-A32 HydrophobicContact CB-CB 4.14Å; A27-A32 PolarHBondContact O-N 3.06Å; V30-A32 HydrophobicContact CG2-CB 3.78Å; V30-A32 PolarHBondContact O-N 3.01Å; A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3.08Å; A32-D37 HydrophobicContact CB-CB 4.16Å; A32-V38 HydrophobicContact CB-CG1 4.02Å
33K95.8Very high96.5Very high210 Ų21094.8 Ų94.891%0.91348%0.479SS*.SBendtrans-72.6-25.2177.4-67.5-176.2-179.8179.10112
34S94.9Very high96.3Very high42 Ų4292.3 Ų92.329%0.29447%0.469SS..  trans-139.3147.3179.6-173.80000111.3A32 R36 D37A32-S34 VanDerWaalsContact C-N 3.27Å; A32-S34 PolarHBondContact O-N 3.08Å; S34-R36 PolarHBondContact O-N 3.13Å; S34-R36 VanDerWaalsContact O-N 3.16Å; S34-R36 WeakPolarHBondContact OG-CB 3.49Å; S34-R36 WeakPolarHBondContact OG-CG 3.3Å; S34-R36 PolarHBondContact OG-N 3.47Å; S34-D37 PolarHBondContact N-OD2 3.29Å; S34-D37 WeakPolarHBondContact O-CB 3.29Å; S34-D37 PolarHBondContact O-N 2.98Å; S34-D37 VanDerWaalsContact O-N 3.08Å
35I96.1Very high96.1Very high65 Ų6589.3 Ų89.333%0.33348%0.477SS..G310 helixtrans-60.9-21.1167.961.4171.8000111.9R24 A27 D37 V38 I39R24-I35 HydrophobicContact CB-CG2 4.49Å; A27-I35 HydrophobicContact CB-CG2 4.16Å; I35-D37 PolarHBondContact O-N 3.19Å; I35-V38 WeakPolarHBondContact O-CG2 3.4Å; I35-V38 PolarHBondContact O-N 2.92Å; I35-I39 WeakPolarHBondContact O-CG1 3.43Å
36R94.6Very high95.9Very high118 Ų11891 Ų9145%0.44549%0.487SS..G310 helixtrans-64.4-24.8176.4-61.4-173.7168.41731.3112.3S34 V38 L42S34-R36 PolarHBondContact O-N 3.13Å; S34-R36 VanDerWaalsContact O-N 3.16Å; S34-R36 WeakPolarHBondContact OG-CB 3.49Å; S34-R36 WeakPolarHBondContact OG-CG 3.3Å; S34-R36 PolarHBondContact OG-N 3.47Å; R36-V38 VanDerWaalsContact C-N 3.27Å; R36-V38 PolarHBondContact O-N 3.38Å; R36-L42 HydrophobicContact CB-CD1 3.91Å; R36-L42 HydrophobicContact CB-CD2 4.29Å; R36-L42 VanDerWaalsContact CD-CD1 3.45Å; R36-L42 HydrophobicContact CG-CD1 3.57Å
37D95.2Very high95.8Very high111 Ų11189.3 Ų89.359%0.59449%0.486SS*.G310 helixtrans-82-8.3-177.2-52.1-30.1000112.3A32 S34 I35A32-D37 HydrophobicContact CB-CB 4.16Å; S34-D37 PolarHBondContact N-OD2 3.29Å; S34-D37 WeakPolarHBondContact O-CB 3.29Å; S34-D37 PolarHBondContact O-N 2.98Å; S34-D37 VanDerWaalsContact O-N 3.08Å; I35-D37 PolarHBondContact O-N 3.19Å
38V96.9Very high95.6Very high42 Ų4293.8 Ų93.826%0.25550%0.504SS..G310 helixtrans-112.25.5178.6-57.60000113.2D23 I26 A27 V30 A32 I35 R36D23-V38 WeakPolarHBondContact O-CG2 2.85Å; I26-V38 HydrophobicContact CG2-CB 4.05Å; I26-V38 HydrophobicContact CG2-CG1 3.99Å; A27-V38 HydrophobicContact CB-CG1 4.25Å; A27-V38 HydrophobicContact CB-CG2 4.17Å; V30-V38 HydrophobicContact CG2-CG1 3.8Å; A32-V38 HydrophobicContact CB-CG1 4.02Å; I35-V38 WeakPolarHBondContact O-CG2 3.4Å; I35-V38 PolarHBondContact O-N 2.92Å; R36-V38 VanDerWaalsContact C-N 3.27Å; R36-V38 PolarHBondContact O-N 3.38Å
39I96.8Very high95.5Very high66 Ų6689.5 Ų89.534%0.33848%0.482SS..  trans-112.1121.8177.4-59.7171.7000108I35 F41I35-I39 WeakPolarHBondContact O-CG1 3.43Å; I39-F41 PolarHBondContact O-N 2.83Å
40A95.8Very high95.2Very high93 Ų9389 Ų8977%0.76949%0.486SS*.SBendtrans-60.8-43.6-174.400000113.5
41F95.4Very high95Very high157 Ų15790.8 Ų90.869%0.68949%0.492SS*.SBendtrans-124.786.9179.9-55.9-75000109.6I39 L51I39-F41 PolarHBondContact O-N 2.83Å; F41-L51 HydrophobicContact CD1-CD2 3.87Å; F41-L51 HydrophobicContact CE1-CD2 4Å
42L93.2Very high94.9Very high74 Ų7487.8 Ų87.839%0.38748%0.481SS..PPolyproline II helixtrans-75150.7-176.3125.495.4000111.2R36R36-L42 HydrophobicContact CB-CD1 3.91Å; R36-L42 HydrophobicContact CB-CD2 4.29Å; R36-L42 VanDerWaalsContact CD-CD1 3.45Å; R36-L42 HydrophobicContact CG-CD1 3.57Å
43K95Very high94.6Very high110 Ų11088.7 Ų88.748%0.47849%0.493SS..PPolyproline II helixtrans-96.9140.2167.2-6417372.168.40111.1G47 K48K43-G47 WeakPolarHBondContact CE-O 3.45Å; K43-G47 PolarHBondContact NZ-O 2.88Å; K43-K48 CarbonylContact C-O 3.52Å; K43-K48 WeakPolarHBondContact CA-O 3.36Å
44A93.6Very high94.6Very high27 Ų2781 Ų8122%0.22346%0.464CS..PPolyproline II helixtrans-57.4166.4171.500000111.8D46 G47 K48 L50A44-D46 VanDerWaalsContact CB-OD1 3.28Å; A44-D46 WeakPolarHBondContact CB-OD1 3.28Å; A44-D46 PolarHBondContact O-N 2.93Å; A44-G47 WeakPolarHBondContact O-CA 3.44Å; A44-G47 PolarHBondContact O-N 3.33Å; A44-K48 WeakPolarHBondContact CB-O 3.39Å; A44-K48 PolarHBondContact N-O 2.77Å; A44-L50 HydrophobicContact CB-CD1 4.21Å; A44-L50 HydrophobicContact CB-CG 4.19Å
45A92.6Very high94.6Very high93 Ų9383.6 Ų83.677%0.76948%0.48SS*.THydrogen-bonded Turntrans-61-27.3-17600000113.5G47A45-G47 VanDerWaalsContact C-N 3.25Å
46D94.8Very high94.5Very high97 Ų9785.2 Ų85.252%0.51949%0.493SS..THydrogen-bonded Turntrans-86.910.7174.167.8-21.6000113.1A44 K48A44-D46 VanDerWaalsContact CB-OD1 3.28Å; A44-D46 WeakPolarHBondContact CB-OD1 3.28Å; A44-D46 PolarHBondContact O-N 2.93Å; D46-K48 VanDerWaalsContact C-N 3.33Å; D46-K48 PolarHBondContact O-N 3.47Å; D46-K48 PolarHBondContact OD1-N 3.25Å; D46-K48 VanDerWaalsContact OD2-CD 3.29Å; D46-K48 WeakPolarHBondContact OD2-CD 3.18Å; D46-K48 VanDerWaalsContact OD2-CE 3.3Å; D46-K48 WeakPolarHBondContact OD2-CE 3.34Å; D46-K48 WeakPolarHBondContact OD2-CG 3.4Å; D46-K48 IonicContact OD2-NZ 2.75Å; D46-K48 PolarHBondContact OD2-NZ 3.1Å
47G94.5Very high94.5Very high30 Ų3088 Ų8831%0.30951%0.513SS..SBendtrans7616.1177.500000114.2K43 A44 A45K43-G47 WeakPolarHBondContact CE-O 3.45Å; K43-G47 PolarHBondContact NZ-O 2.88Å; A44-G47 WeakPolarHBondContact O-CA 3.44Å; A44-G47 PolarHBondContact O-N 3.33Å; A45-G47 VanDerWaalsContact C-N 3.25Å
48K95.1Very high94.4Very high99 Ų9986 Ų8643%0.4351%0.505SS..  trans-91.3144.2175.6-60.6-170.3-175.3123.90111.9K43 A44 D46 L50 T54K43-K48 CarbonylContact C-O 3.52Å; K43-K48 WeakPolarHBondContact CA-O 3.36Å; A44-K48 WeakPolarHBondContact CB-O 3.39Å; A44-K48 PolarHBondContact N-O 2.77Å; D46-K48 VanDerWaalsContact C-N 3.33Å; D46-K48 PolarHBondContact O-N 3.47Å; D46-K48 PolarHBondContact OD1-N 3.25Å; D46-K48 VanDerWaalsContact OD2-CD 3.29Å; D46-K48 WeakPolarHBondContact OD2-CD 3.18Å; D46-K48 VanDerWaalsContact OD2-CE 3.3Å; D46-K48 WeakPolarHBondContact OD2-CE 3.34Å; D46-K48 WeakPolarHBondContact OD2-CG 3.4Å; D46-K48 IonicContact OD2-NZ 2.75Å; D46-K48 PolarHBondContact OD2-NZ 3.1Å; K48-L50 HydrophobicContact CB-CD2 4.48Å; K48-T54 CarbonylContact C-O 3.5Å; K48-T54 VanDerWaalsContact CA-O 3.24Å; K48-T54 WeakPolarHBondContact CA-O 3.33Å; K48-T54 WeakPolarHBondContact CB-O 3.47Å
49D95.5Very high94.3Very high26 Ų2689.7 Ų89.714%0.13952%0.523CS..BIsolated β-bridgetrans-91.6110.6162.6177.71.7000108L51 C52 G53 T54D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 WeakPolarHBondContact OD1-CB 3.41Å; D49-L51 PolarHBondContact OD1-N 3.4Å; D49-C52 PolarHBondContact OD1-N 3.36Å; D49-C52 WeakPolarHBondContact OD2-CB 3.45Å; D49-C52 PolarHBondContact OD2-SG 3.08Å; D49-G53 WeakPolarHBondContact O-CA 3.49Å; D49-G53 PolarHBondContact O-N 3.4Å; D49-T54 WeakPolarHBondContact CB-OG1 3.33Å; D49-T54 PolarHBondContact N-O 2.9Å; D49-T54 PolarHBondContact O-N 3.27Å
50L91.6Very high94.2Very high141 Ų14192.9 Ų92.974%0.73854%0.541SS*.THydrogen-bonded Turntrans-74.6-22.3-178.3-59.9177.3000112.7A44 K48A44-L50 HydrophobicContact CB-CD1 4.21Å; A44-L50 HydrophobicContact CB-CG 4.19Å; K48-L50 HydrophobicContact CB-CD2 4.48Å
51L93.5Very high94.2Very high132 Ų13295.7 Ų95.769%0.69154%0.538SS*.THydrogen-bonded Turntrans-73.1-47.2178.6179.866.4000110.5F41 D49F41-L51 HydrophobicContact CD1-CD2 3.87Å; F41-L51 HydrophobicContact CE1-CD2 4Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 WeakPolarHBondContact OD1-CB 3.41Å; D49-L51 PolarHBondContact OD1-N 3.4Å
52C94.1Very high94.2Very high82 Ų8292.8 Ų92.855%0.55453%0.529SS*.THydrogen-bonded Turntrans-92.4-7.8-178.3-570000113.5D49 T54D49-C52 PolarHBondContact OD1-N 3.36Å; D49-C52 WeakPolarHBondContact OD2-CB 3.45Å; D49-C52 PolarHBondContact OD2-SG 3.08Å; C52-T54 HydrophobicContact CB-CG2 3.82Å
53G92.7Very high94.3Very high48 Ų4894.5 Ų94.550%0.49554%0.538SS..THydrogen-bonded Turntrans67.634-175.900000113.5D49 T56D49-G53 WeakPolarHBondContact O-CA 3.49Å; D49-G53 PolarHBondContact O-N 3.4Å; G53-T56 VanDerWaalsContact O-CG2 3.25Å; G53-T56 WeakPolarHBondContact O-CG2 3.23Å
54T94.9Very high94.1Very high49 Ų4993.9 Ų93.930%0.30155%0.547SS..BIsolated β-bridgetrans-105.9154.7-176.973.40000112.5K48 D49 C52K48-T54 CarbonylContact C-O 3.5Å; K48-T54 VanDerWaalsContact CA-O 3.24Å; K48-T54 WeakPolarHBondContact CA-O 3.33Å; K48-T54 WeakPolarHBondContact CB-O 3.47Å; D49-T54 WeakPolarHBondContact CB-OG1 3.33Å; D49-T54 PolarHBondContact N-O 2.9Å; D49-T54 PolarHBondContact O-N 3.27Å; C52-T54 HydrophobicContact CB-CG2 3.82Å
55P95.4Very high93.5Very high96 Ų96102.8 Ų102.862%0.62358%0.584SS**SBendcis-69.9152.9-2.531.8-34.4000112.3
56T93.5Very high93.5Very high99 Ų99103.3 Ų103.361%0.60758%0.575SS**  trans-111.4161.9173.357.30000109.9G53G53-T56 VanDerWaalsContact O-CG2 3.25Å; G53-T56 WeakPolarHBondContact O-CG2 3.23Å
57M93.9Very high93.4Very high175 Ų175103.6 Ų103.686%0.86258%0.578SS**PPolyproline II helixtrans-66.8142.2168.2-66.3-60-67.200109.5
58V94.4Very high93.4Very high70 Ų70107.7 Ų107.742%0.42459%0.593SS.*PPolyproline II helixtrans-102.1144.4172.3179.50000107.4I62 L63V58-I62 HydrophobicContact CG1-CB 3.81Å; V58-I62 HydrophobicContact CG1-CD1 4.2Å; V58-I62 HydrophobicContact CG1-CG2 3.76Å; V58-L63 HydrophobicContact CB-CD2 4.18Å; V58-L63 HydrophobicContact CB-CG 4.31Å; V58-L63 HydrophobicContact CG1-CD2 4.17Å; V58-L63 HydrophobicContact CG1-CG 4.22Å
59D94.6Very high93.3Very high120 Ų120108.2 Ų108.264%0.64260%0.603SS**PPolyproline II helixtrans-63.6141.9179.6-67.2-36.7000111.9E61 I62 L63D59-E61 PolarHBondContact O-N 3.12Å; D59-I62 HydrophobicContact CB-CD1 4.49Å; D59-I62 PolarHBondContact O-N 3.12Å; D59-L63 PolarHBondContact O-N 3.3Å; D59-L63 VanDerWaalsContact O-N 3.12Å
60D95.4Very high93.1Very high132 Ų132113.4 Ų113.471%0.70663%0.632SS**Hα-helixtrans-59.2-30.4-178.7-70.4-29.6000112.5I62 L63 S64D60-I62 VanDerWaalsContact C-N 3.35Å; D60-I62 PolarHBondContact O-N 3.39Å; D60-L63 PolarHBondContact O-N 3.37Å; D60-S64 WeakPolarHBondContact O-CB 3.44Å; D60-S64 PolarHBondContact O-N 2.92Å; D60-S64 PolarHBondContact O-OG 3.47Å
61E95.6Very high93.2Very high153 Ų153111.5 Ų111.572%0.71562%0.624SS**Hα-helixtrans-60.9-43.7175.4-173.1174.7-178.600111.4D59 S64D59-E61 PolarHBondContact O-N 3.12Å; E61-S64 PolarHBondContact O-N 3.05Å; E61-S64 PolarHBondContact O-OG 3.15Å
62I95.3Very high93.2Very high96 Ų96110.1 Ų110.149%0.49262%0.62SS.*Hα-helixtrans-69.8-37.6177.1-62.3171.7000110.4V58 D59 D60 S64 Q65V58-I62 HydrophobicContact CG1-CB 3.81Å; V58-I62 HydrophobicContact CG1-CD1 4.2Å; V58-I62 HydrophobicContact CG1-CG2 3.76Å; D59-I62 HydrophobicContact CB-CD1 4.49Å; D59-I62 PolarHBondContact O-N 3.12Å; D60-I62 VanDerWaalsContact C-N 3.35Å; D60-I62 PolarHBondContact O-N 3.39Å; I62-S64 PolarHBondContact O-N 3.29Å; I62-Q65 PolarHBondContact O-N 3.08Å
63L93.8Very high93.1Very high109 Ų109112.2 Ų112.257%0.57163%0.625SS**Hα-helixtrans-69.2-21.5178-65.4177.2000113.2V58 D59 D60V58-L63 HydrophobicContact CB-CD2 4.18Å; V58-L63 HydrophobicContact CB-CG 4.31Å; V58-L63 HydrophobicContact CG1-CD2 4.17Å; V58-L63 HydrophobicContact CG1-CG 4.22Å; D59-L63 PolarHBondContact O-N 3.3Å; D59-L63 VanDerWaalsContact O-N 3.12Å; D60-L63 PolarHBondContact O-N 3.37Å
64S92.3Very high93.2Very high97 Ų97117.6 Ų117.668%0.67864%0.636SS**THydrogen-bonded Turntrans-87.30.4-179.572.10000115D60 E61 I62D60-S64 WeakPolarHBondContact O-CB 3.44Å; D60-S64 PolarHBondContact O-N 2.92Å; D60-S64 PolarHBondContact O-OG 3.47Å; E61-S64 PolarHBondContact O-N 3.05Å; E61-S64 PolarHBondContact O-OG 3.15Å; I62-S64 PolarHBondContact O-N 3.29Å
65Q79.2Confident93Very high215 Ų215123.8 Ų123.8100%1.00567%0.666SS**  trans-82.80175.5-62.5-173.5-15.800112.2I62I62-Q65 PolarHBondContact O-N 3.08Å

Retrieved 65 of 65 residues in 50.3 ms (Link to these results)