A0AA82N7Q3_SCHMA Loading...

Aminoacyl-tRNA synthetase class II (D/K/N) domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7Q3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 76 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
1M72.6Confident89.8Confident164 Ų164108.5 Ų108.581%0.80860%0.596SS**  0-44.20-157.267.812900111.6Y3 F4 L5M1-Y3 PolarHBondContact O-N 3.2Å; M1-F4 WeakPolarHBondContact O-CB 3.37Å; M1-F4 PolarHBondContact O-N 2.99Å; M1-L5 HydrophobicContact CG-CD1 4.23Å; M1-L5 HydrophobicContact CG-CG 4.37Å; M1-L5 PolarHBondContact O-N 3.31Å
2E89.3Confident89.8Confident159 Ų159103.1 Ų103.174%0.74358%0.577SS**Hα-helixtrans-52-47-180-168.6-179.3175.300113.8F4 L5 T6E2-F4 VanDerWaalsContact C-N 3.25Å; E2-F4 PolarHBondContact O-N 3.04Å; E2-L5 PolarHBondContact O-N 3.43Å; E2-T6 PolarHBondContact O-N 3.48Å; E2-T6 PolarHBondContact O-OG1 3.26Å; E2-T6 VanDerWaalsContact O-OG1 3.14Å
3Y92.5Very high89.8Confident184 Ų184102.1 Ų102.172%0.72258%0.578SS**Hα-helixtrans-56.1-39.9176.575.2-97.8000112.9M1 A7M1-Y3 PolarHBondContact O-N 3.2Å; Y3-A7 WeakPolarHBondContact O-CB 3.41Å; Y3-A7 PolarHBondContact O-N 3.28Å
4F93.2Very high89.8Confident98 Ų98105.1 Ų105.143%0.4360%0.603SS.*Hα-helixtrans-71.2-41.7-178.4-178.6-109.4000110.3M1 E2 A7 L8M1-F4 WeakPolarHBondContact O-CB 3.37Å; M1-F4 PolarHBondContact O-N 2.99Å; E2-F4 VanDerWaalsContact C-N 3.25Å; E2-F4 PolarHBondContact O-N 3.04Å; F4-A7 PolarHBondContact O-N 2.98Å; F4-L8 HydrophobicContact CD1-CD1 3.85Å; F4-L8 HydrophobicContact CE1-CD1 3.41Å; F4-L8 VanDerWaalsContact CE1-CD1 3.41Å; F4-L8 HydrophobicContact CE1-CG 4.23Å; F4-L8 HydrophobicContact CZ-CD1 3.79Å; F4-L8 HydrophobicContact CZ-CD2 4.39Å; F4-L8 HydrophobicContact CZ-CG 4.23Å; F4-L8 WeakPolarHBondContact O-CG 3.36Å; F4-L8 PolarHBondContact O-N 3.03Å
5L93.2Very high89.8Confident87 Ų87107 Ų10746%0.45560%0.604SS.*Hα-helixtrans-65.9-39.9175.7-65.4176000112.2M1 E2 A7 L8 N9M1-L5 HydrophobicContact CG-CD1 4.23Å; M1-L5 HydrophobicContact CG-CG 4.37Å; M1-L5 PolarHBondContact O-N 3.31Å; E2-L5 PolarHBondContact O-N 3.43Å; L5-A7 VanDerWaalsContact C-N 3.35Å; L5-L8 PolarHBondContact O-N 3.3Å; L5-N9 WeakPolarHBondContact O-CB 3.37Å; L5-N9 VanDerWaalsContact O-CG 3.29Å; L5-N9 PolarHBondContact O-N 3.32Å; L5-N9 PolarHBondContact O-ND2 3.08Å
6T94.4Very high90Very high78 Ų78105.4 Ų105.448%0.47962%0.619SS.*Hα-helixtrans-62.1-43.1174.5-61.10000111.4E2 L8 N9 S10E2-T6 PolarHBondContact O-N 3.48Å; E2-T6 PolarHBondContact O-OG1 3.26Å; E2-T6 VanDerWaalsContact O-OG1 3.14Å; T6-L8 PolarHBondContact O-N 2.84Å; T6-N9 PolarHBondContact O-N 3.39Å; T6-S10 PolarHBondContact O-N 3.14Å; T6-S10 VanDerWaalsContact O-N 3.11Å; T6-S10 PolarHBondContact O-OG 3.17Å
7A92.1Very high90.2Very high61 Ų61104.1 Ų104.150%0.50463%0.633SS.*Hα-helixtrans-61.5-43.2175.200000111.8Y3 F4 L5 S10Y3-A7 WeakPolarHBondContact O-CB 3.41Å; Y3-A7 PolarHBondContact O-N 3.28Å; F4-A7 PolarHBondContact O-N 2.98Å; L5-A7 VanDerWaalsContact C-N 3.35Å; A7-S10 PolarHBondContact O-N 3.04Å
8L91.7Very high90.6Very high59 Ų59106.7 Ų106.731%0.30964%0.641SS.*Hα-helixtrans-64.5-42.4176.5-71.4175.9000112.6F4 L5 T6 S10 A12F4-L8 HydrophobicContact CD1-CD1 3.85Å; F4-L8 HydrophobicContact CE1-CD1 3.41Å; F4-L8 VanDerWaalsContact CE1-CD1 3.41Å; F4-L8 HydrophobicContact CE1-CG 4.23Å; F4-L8 HydrophobicContact CZ-CD1 3.79Å; F4-L8 HydrophobicContact CZ-CD2 4.39Å; F4-L8 HydrophobicContact CZ-CG 4.23Å; F4-L8 WeakPolarHBondContact O-CG 3.36Å; F4-L8 PolarHBondContact O-N 3.03Å; L5-L8 PolarHBondContact O-N 3.3Å; T6-L8 PolarHBondContact O-N 2.84Å; L8-S10 PolarHBondContact O-N 2.91Å; L8-A12 HydrophobicContact CD2-CB 3.99Å; L8-A12 PolarHBondContact O-N 2.89Å
9N90.9Very high90.9Very high138 Ų138106.2 Ų106.274%0.73865%0.649SS**Hα-helixtrans-70.6-14.5179.2-73.3-28.2000113.7L5 T6 G11L5-N9 WeakPolarHBondContact O-CB 3.37Å; L5-N9 VanDerWaalsContact O-CG 3.29Å; L5-N9 PolarHBondContact O-N 3.32Å; L5-N9 PolarHBondContact O-ND2 3.08Å; T6-N9 PolarHBondContact O-N 3.39Å; N9-G11 PolarHBondContact O-N 3.41Å; N9-G11 VanDerWaalsContact O-N 3.13Å
10S91.6Very high91.1Very high99 Ų99107.4 Ų107.469%0.69265%0.651SS**THydrogen-bonded Turntrans-80.721.8178-590000113.3T6 A7 L8T6-S10 PolarHBondContact O-N 3.14Å; T6-S10 VanDerWaalsContact O-N 3.11Å; T6-S10 PolarHBondContact O-OG 3.17Å; A7-S10 PolarHBondContact O-N 3.04Å; L8-S10 PolarHBondContact O-N 2.91Å
11G86.8Confident91.3Very high66 Ų66104.7 Ų104.768%0.6865%0.645SS**THydrogen-bonded Turntrans87.433.4178.500000114.2N9N9-G11 PolarHBondContact O-N 3.41Å; N9-G11 VanDerWaalsContact O-N 3.13Å
12A88.9Confident92.5Very high44 Ų44101.9 Ų101.936%0.36463%0.633SS.*  trans-60.5127.8175.300000110.5L8L8-A12 HydrophobicContact CD2-CB 3.99Å; L8-A12 PolarHBondContact O-N 2.89Å
13P90Very high92.8Very high90 Ų9097.9 Ų97.958%0.58462%0.616SS**  trans-70.3164.3-179.230.1-35.5000111.3H15P13-H15 PolarHBondContact O-N 3.14Å
14P90Very high93Very high144 Ų14494.1 Ų94.194%0.93561%0.608SS**  trans-60.6100.6170.126.4-33.9000109.6
15H90.7Very high93.2Very high134 Ų13492.6 Ų92.662%0.6260%0.604SS**  trans-112144.9177.36019.9000110.6P13P13-H15 PolarHBondContact O-N 3.14Å
16G92.3Very high93.5Very high81 Ų8191.4 Ų91.484%0.83560%0.598SS**  trans-142.7148.8170.900000108.5
17G93.9Very high93.6Very high84 Ų8488 Ų8887%0.86658%0.578SS**  trans-140.2159.8178.300000110.7
18I96.4Very high93.9Very high151 Ų15190.5 Ų90.577%0.77458%0.581SS**  trans-128.1141.4170.9-171.3169.1000108.4L20I18-L20 HydrophobicContact CD1-CD2 4.22Å; I18-L20 HydrophobicContact CG1-CD2 4.42Å
19A96.4Very high94.2Very high96 Ų9695.3 Ų95.379%0.79360%0.6SS**  trans-116.3126.9170.800000108.3
20L95.2Very high94.5Very high130 Ų13093.2 Ų93.268%0.68159%0.592SS**  trans-94.2132.1176.8-61.4177.9000109.5I18 L22I18-L20 HydrophobicContact CD1-CD2 4.22Å; I18-L20 HydrophobicContact CG1-CD2 4.42Å; L20-L22 PolarHBondContact O-N 3.38Å
21G96Very high94.7Very high52 Ų5295.4 Ų95.454%0.53660%0.596SS.*  trans-72.690169.600000110.2D23 L24 L25G21-D23 PolarHBondContact O-N 3.35Å; G21-L24 PolarHBondContact O-N 3.32Å; G21-L25 PolarHBondContact O-N 3.46Å
22L96.8Very high95.2Very high105 Ų10593.6 Ų93.655%0.5558%0.575SS.*Hα-helixtrans-57.6-45.1-173.4179.261.4000112.6L20 L24 L25 I26L20-L22 PolarHBondContact O-N 3.38Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 3.4Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 2.91Å; L22-L25 VanDerWaalsContact O-N 3.12Å; L22-I26 HydrophobicContact CD1-CD1 3.84Å; L22-I26 HydrophobicContact CD1-CG1 4.04Å; L22-I26 HydrophobicContact CD2-CD1 4.47Å; L22-I26 HydrophobicContact CG-CD1 3.82Å; L22-I26 HydrophobicContact CG-CG1 4.39Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.12Å
23D96.8Very high95.6Very high74 Ų74101.8 Ų101.840%0.39660%0.602SS.*Hα-helixtrans-60.3-41.7-179.5-47.9-81.4000111G21 I26 A27 I35 V38 I39G21-D23 PolarHBondContact O-N 3.35Å; D23-I26 PolarHBondContact O-N 3.48Å; D23-A27 VanDerWaalsContact O-CB 3.31Å; D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 3.18Å; D23-I35 HydrophobicContact CB-CB 4.48Å; D23-V38 HydrophobicContact CB-CG2 4.39Å; D23-V38 WeakPolarHBondContact O-CG2 3.33Å; D23-I39 HydrophobicContact CB-CD1 4.43Å
24L96.7Very high95.8Very high105 Ų10599.2 Ų99.255%0.5559%0.586SS.*Hα-helixtrans-66.8-41.8176.1-177.460.3000111.5G21 L22 I26 A27 I28 I35G21-L24 PolarHBondContact O-N 3.32Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 3.4Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 2.98Å; L24-A27 PolarHBondContact O-N 2.82Å; L24-I28 HydrophobicContact CD1-CD1 4.36Å; L24-I28 HydrophobicContact CD1-CG1 4.48Å; L24-I28 HydrophobicContact CG-CD1 4.13Å; L24-I28 VanDerWaalsContact O-CG1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 2.92Å; L24-I35 HydrophobicContact CD1-CG2 4.36Å
25L97.4Very high96.1Very high67 Ų6796.3 Ų96.335%0.35156%0.562SS.*Hα-helixtrans-59-46.2177.4-176.266.8000111.3G21 L22 I28 F29G21-L25 PolarHBondContact O-N 3.46Å; L22-L25 WeakPolarHBondContact O-CB 3.42Å; L22-L25 PolarHBondContact O-N 2.91Å; L22-L25 VanDerWaalsContact O-N 3.12Å; L25-I28 PolarHBondContact O-N 2.8Å; L25-F29 HydrophobicContact CD1-CE1 4.01Å; L25-F29 HydrophobicContact CD1-CE2 4.3Å; L25-F29 HydrophobicContact CD1-CZ 3.8Å; L25-F29 HydrophobicContact CD2-CE2 4.35Å; L25-F29 HydrophobicContact CD2-CZ 4.47Å; L25-F29 HydrophobicContact CG-CE2 4.02Å; L25-F29 HydrophobicContact CG-CZ 4.04Å; L25-F29 WeakPolarHBondContact O-CG 3.22Å; L25-F29 PolarHBondContact O-N 3.36Å; L25-F29 VanDerWaalsContact O-N 3.08Å
26I97.8Very high96.3Very high62 Ų6296.2 Ų96.232%0.31856%0.556SS.*Hα-helixtrans-66-44.6178.4-63.5171000110.3L22 D23 L24 I28 F29 V30 V38L22-I26 HydrophobicContact CD1-CD1 3.84Å; L22-I26 HydrophobicContact CD1-CG1 4.04Å; L22-I26 HydrophobicContact CD2-CD1 4.47Å; L22-I26 HydrophobicContact CG-CD1 3.82Å; L22-I26 HydrophobicContact CG-CG1 4.39Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.12Å; D23-I26 PolarHBondContact O-N 3.48Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 2.98Å; I26-I28 PolarHBondContact O-N 3.02Å; I26-F29 PolarHBondContact O-N 3.21Å; I26-V30 HydrophobicContact CG2-CG1 4.48Å; I26-V30 WeakPolarHBondContact O-CG2 3.29Å; I26-V30 PolarHBondContact O-N 3.38Å; I26-V38 HydrophobicContact CB-CB 4.41Å; I26-V38 HydrophobicContact CB-CG2 4.47Å; I26-V38 HydrophobicContact CG2-CB 3.88Å; I26-V38 HydrophobicContact CG2-CG1 3.83Å; I26-V38 HydrophobicContact CG2-CG2 4.47Å
27A97.9Very high96.4Very high7 Ų797.5 Ų97.56%0.05854%0.544CS..Hα-helixtrans-56.4-39.2177.800000112.1D23 L24 N31 A32 I35 V38D23-A27 VanDerWaalsContact O-CB 3.31Å; D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 3.18Å; L24-A27 PolarHBondContact O-N 2.82Å; A27-N31 CarbonylContact O-C 3.49Å; A27-N31 WeakPolarHBondContact O-CA 3.47Å; A27-N31 PolarHBondContact O-N 2.89Å; A27-A32 HydrophobicContact CB-CB 4.09Å; A27-A32 PolarHBondContact O-N 3.23Å; A27-I35 HydrophobicContact CB-CG2 4.39Å; A27-V38 HydrophobicContact CB-CG1 4.2Å; A27-V38 HydrophobicContact CB-CG2 4.11Å
28I97.5Very high96.6Very high113 Ų11395.2 Ų95.258%0.57951%0.513SS*.Hα-helixtrans-65.8-46.8174-66.7164.7000110.9L24 L25 I26 V30 N31L24-I28 HydrophobicContact CD1-CD1 4.36Å; L24-I28 HydrophobicContact CD1-CG1 4.48Å; L24-I28 HydrophobicContact CG-CD1 4.13Å; L24-I28 VanDerWaalsContact O-CG1 3.31Å; L24-I28 WeakPolarHBondContact O-CG1 3.44Å; L24-I28 PolarHBondContact O-N 2.92Å; L25-I28 PolarHBondContact O-N 2.8Å; I26-I28 PolarHBondContact O-N 3.02Å; I28-V30 VanDerWaalsContact C-N 3.28Å; I28-V30 PolarHBondContact O-N 3.34Å; I28-N31 PolarHBondContact O-N 2.8Å; I28-N31 VanDerWaalsContact O-N 3.14Å
29F97.5Very high96.6Very high160 Ų16090.9 Ų90.970%0.70249%0.491SS*.Hα-helixtrans-61.2-34.4-179.3-73.3-10.1000113.8L25 I26L25-F29 HydrophobicContact CD1-CE1 4.01Å; L25-F29 HydrophobicContact CD1-CE2 4.3Å; L25-F29 HydrophobicContact CD1-CZ 3.8Å; L25-F29 HydrophobicContact CD2-CE2 4.35Å; L25-F29 HydrophobicContact CD2-CZ 4.47Å; L25-F29 HydrophobicContact CG-CE2 4.02Å; L25-F29 HydrophobicContact CG-CZ 4.04Å; L25-F29 WeakPolarHBondContact O-CG 3.22Å; L25-F29 PolarHBondContact O-N 3.36Å; L25-F29 VanDerWaalsContact O-N 3.08Å; I26-F29 PolarHBondContact O-N 3.21Å
30V97.5Very high96.5Very high94 Ų9490.5 Ų90.557%0.5749%0.487SS*.THydrogen-bonded Turntrans-96.73.6178.3-53.40000113.5I26 I28 A32 V38I26-V30 HydrophobicContact CG2-CG1 4.48Å; I26-V30 WeakPolarHBondContact O-CG2 3.29Å; I26-V30 PolarHBondContact O-N 3.38Å; I28-V30 VanDerWaalsContact C-N 3.28Å; I28-V30 PolarHBondContact O-N 3.34Å; V30-A32 HydrophobicContact CG2-CB 3.77Å; V30-A32 PolarHBondContact O-N 3Å; V30-V38 HydrophobicContact CG2-CG1 3.66Å
31N97.3Very high96.6Very high145 Ų14591.3 Ų91.378%0.77549%0.486SS*.THydrogen-bonded Turntrans51.441-174.4-162.817.8000113.1A27 I28A27-N31 CarbonylContact O-C 3.49Å; A27-N31 WeakPolarHBondContact O-CA 3.47Å; A27-N31 PolarHBondContact O-N 2.89Å; I28-N31 PolarHBondContact O-N 2.8Å; I28-N31 VanDerWaalsContact O-N 3.14Å
32A97.2Very high96.5Very high28 Ų2891.1 Ų91.123%0.23148%0.475CS..  trans-70.3147.2175.900000111.1A27 V30 D37 V38A27-A32 HydrophobicContact CB-CB 4.09Å; A27-A32 PolarHBondContact O-N 3.23Å; V30-A32 HydrophobicContact CG2-CB 3.77Å; V30-A32 PolarHBondContact O-N 3Å; A32-D37 HydrophobicContact CB-CB 3.97Å; A32-V38 HydrophobicContact CB-CG1 4.07Å
33K95.7Very high96.4Very high215 Ų21591 Ų9194%0.93547%0.47SS*.SBendtrans-81.7-21.6178-67.1-177.1179.8179.10112.2D37K33-D37 PolarHBondContact N-OD2 2.67Å
34S94.8Very high96.3Very high36 Ų3688.5 Ų88.525%0.25246%0.46SS..SBendtrans-141.2147.4178-168.20000110.9R36 D37S34-R36 PolarHBondContact O-N 3Å; S34-R36 VanDerWaalsContact O-N 3.14Å; S34-R36 PolarHBondContact OG-N 3.47Å; S34-D37 PolarHBondContact N-OD2 3.18Å; S34-D37 WeakPolarHBondContact O-CB 3.36Å; S34-D37 PolarHBondContact O-N 2.75Å
35I95.7Very high96Very high83 Ų8388.9 Ų88.943%0.42648%0.478SS..G310 helixtrans-59.1-22.8168.461.5170.5000112.1D23 L24 A27 D37 V38 I39D23-I35 HydrophobicContact CB-CB 4.48Å; L24-I35 HydrophobicContact CD1-CG2 4.36Å; A27-I35 HydrophobicContact CB-CG2 4.39Å; I35-D37 PolarHBondContact O-N 3.47Å; I35-V38 WeakPolarHBondContact O-CG2 3.15Å; I35-V38 PolarHBondContact O-N 3.19Å; I35-I39 WeakPolarHBondContact O-CD1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.42Å; I35-I39 PolarHBondContact O-N 3.33Å
36R94.9Very high95.8Very high133 Ų13390.2 Ų90.250%0.50249%0.486SS..G310 helixtrans-64.8-23.4175.4-64.6-172.7-67.6167.7-1.4112.6S34 V38 P42 K43S34-R36 PolarHBondContact O-N 3Å; S34-R36 VanDerWaalsContact O-N 3.14Å; S34-R36 PolarHBondContact OG-N 3.47Å; R36-V38 PolarHBondContact O-N 3.13Å; R36-P42 HydrophobicContact CB-CB 3.61Å; R36-P42 HydrophobicContact CB-CG 4.08Å; R36-P42 HydrophobicContact CG-CB 3.73Å; R36-K43 WeakPolarHBondContact CD-O 3.43Å
37D95.5Very high95.6Very high108 Ų10889 Ų8958%0.57849%0.488SS*.G310 helixtrans-78-11.3179.9-52.5-30.6000112.1A32 K33 S34 I35A32-D37 HydrophobicContact CB-CB 3.97Å; K33-D37 PolarHBondContact N-OD2 2.67Å; S34-D37 PolarHBondContact N-OD2 3.18Å; S34-D37 WeakPolarHBondContact O-CB 3.36Å; S34-D37 PolarHBondContact O-N 2.75Å; I35-D37 PolarHBondContact O-N 3.47Å
38V96.7Very high95.4Very high35 Ų3593.6 Ų93.621%0.21251%0.506CS..G310 helixtrans-114.15.1178.8-57.60000113.3D23 I26 A27 V30 A32 I35 R36D23-V38 HydrophobicContact CB-CG2 4.39Å; D23-V38 WeakPolarHBondContact O-CG2 3.33Å; I26-V38 HydrophobicContact CB-CB 4.41Å; I26-V38 HydrophobicContact CB-CG2 4.47Å; I26-V38 HydrophobicContact CG2-CB 3.88Å; I26-V38 HydrophobicContact CG2-CG1 3.83Å; I26-V38 HydrophobicContact CG2-CG2 4.47Å; A27-V38 HydrophobicContact CB-CG1 4.2Å; A27-V38 HydrophobicContact CB-CG2 4.11Å; V30-V38 HydrophobicContact CG2-CG1 3.66Å; A32-V38 HydrophobicContact CB-CG1 4.07Å; I35-V38 WeakPolarHBondContact O-CG2 3.15Å; I35-V38 PolarHBondContact O-N 3.19Å; R36-V38 PolarHBondContact O-N 3.13Å
39I96.8Very high95.2Very high60 Ų6089.4 Ų89.431%0.30849%0.485SS..SBendtrans-111127.4176.2-63.7165.5000107.4D23 I35 F41 P42D23-I39 HydrophobicContact CB-CD1 4.43Å; I35-I39 WeakPolarHBondContact O-CD1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.42Å; I35-I39 PolarHBondContact O-N 3.33Å; I39-F41 VanDerWaalsContact C-N 3.3Å; I39-F41 PolarHBondContact O-N 3.4Å; I39-P42 HydrophobicContact CB-CB 4.32Å; I39-P42 HydrophobicContact CG2-CB 4.36Å; I39-P42 WeakPolarHBondContact O-CD 3.31Å
40A95.6Very high94.9Very high88 Ų8888.8 Ų88.873%0.72749%0.488SS*.SBendtrans-60.5-37.6-176.500000113.4
41F95.5Very high94.6Very high147 Ų14790.5 Ų90.565%0.64549%0.494SS*.SBendtrans-13176.9-179.9-54.3-71.6000110I39 L51I39-F41 VanDerWaalsContact C-N 3.3Å; I39-F41 PolarHBondContact O-N 3.4Å; F41-L51 HydrophobicContact CD1-CD2 3.66Å; F41-L51 HydrophobicContact CE1-CD2 3.81Å
42P95Very high94.4Very high48 Ų4887.6 Ų87.631%0.31248%0.484SS..PPolyproline II helixtrans-75.9142.9-17531.1-32.5000111.1R36 I39R36-P42 HydrophobicContact CB-CB 3.61Å; R36-P42 HydrophobicContact CB-CG 4.08Å; R36-P42 HydrophobicContact CG-CB 3.73Å; I39-P42 HydrophobicContact CB-CB 4.32Å; I39-P42 HydrophobicContact CG2-CB 4.36Å; I39-P42 WeakPolarHBondContact O-CD 3.31Å
43K95Very high94.1Very high103 Ų10388.6 Ų88.645%0.44850%0.497SS..PPolyproline II helixtrans-78.1150.9168.5-73.3-176.5157.7-66.70111.4R36 G47 K48R36-K43 WeakPolarHBondContact CD-O 3.43Å; K43-G47 WeakPolarHBondContact CD-O 3.2Å; K43-G47 PolarHBondContact NZ-O 3.13Å; K43-K48 WeakPolarHBondContact CA-O 3.22Å
44A93.3Very high94.1Very high22 Ų2280.7 Ų80.718%0.18247%0.467CS..PPolyproline II helixtrans-69166.5168.900000111D46 G47 K48 L50A44-D46 VanDerWaalsContact CB-OD1 3.32Å; A44-D46 WeakPolarHBondContact CB-OD1 3.17Å; A44-D46 PolarHBondContact O-N 3.36Å; A44-G47 WeakPolarHBondContact O-CA 3.21Å; A44-G47 PolarHBondContact O-N 3.29Å; A44-K48 WeakPolarHBondContact CB-O 3.37Å; A44-K48 PolarHBondContact N-O 3.16Å; A44-L50 HydrophobicContact CB-CD1 4.42Å; A44-L50 HydrophobicContact CB-CG 4.35Å
45A91.9Very high94Very high112 Ų11283.9 Ų83.993%0.92649%0.486SS*.THydrogen-bonded Turntrans-62.7-26.2-177.700000113.2G47A45-G47 PolarHBondContact O-N 3.44Å
46D93.6Very high93.9Very high96 Ų9684.4 Ų84.451%0.51349%0.494SS..THydrogen-bonded Turntrans-86.512.4173.368.5-16.1000113.1A44 K48A44-D46 VanDerWaalsContact CB-OD1 3.32Å; A44-D46 WeakPolarHBondContact CB-OD1 3.17Å; A44-D46 PolarHBondContact O-N 3.36Å; D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 2.87Å; D46-K48 PolarHBondContact OD1-N 3.21Å; D46-K48 WeakPolarHBondContact OD2-CD 3.49Å; D46-K48 WeakPolarHBondContact OD2-CE 3.46Å; D46-K48 IonicContact OD2-NZ 2.75Å; D46-K48 PolarHBondContact OD2-NZ 3.3Å
47G93Very high93.8Very high35 Ų3585.8 Ų85.836%0.36151%0.508SS..SBendtrans78.40.9177.800000114.8K43 A44 A45K43-G47 WeakPolarHBondContact CD-O 3.2Å; K43-G47 PolarHBondContact NZ-O 3.13Å; A44-G47 WeakPolarHBondContact O-CA 3.21Å; A44-G47 PolarHBondContact O-N 3.29Å; A45-G47 PolarHBondContact O-N 3.44Å
48K93.6Very high93.7Very high104 Ų10483.7 Ų83.745%0.45250%0.499SS..  trans-77.6141.6-179.9-63.8-178.2-171138.60111.9K43 A44 D46 T54K43-K48 WeakPolarHBondContact CA-O 3.22Å; A44-K48 WeakPolarHBondContact CB-O 3.37Å; A44-K48 PolarHBondContact N-O 3.16Å; D46-K48 VanDerWaalsContact C-N 3.25Å; D46-K48 PolarHBondContact O-N 2.87Å; D46-K48 PolarHBondContact OD1-N 3.21Å; D46-K48 WeakPolarHBondContact OD2-CD 3.49Å; D46-K48 WeakPolarHBondContact OD2-CE 3.46Å; D46-K48 IonicContact OD2-NZ 2.75Å; D46-K48 PolarHBondContact OD2-NZ 3.3Å; K48-T54 CarbonylContact C-O 3.59Å; K48-T54 WeakPolarHBondContact CA-O 3.42Å
49D93.8Very high93.6Very high26 Ų2687.5 Ų87.514%0.13952%0.518CS..BIsolated β-bridgetrans-90.8112.6162.7179.7-2.4000108.2L51 C52 G53 T54D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 WeakPolarHBondContact OD1-CB 3.46Å; D49-L51 PolarHBondContact OD1-N 3.09Å; D49-C52 PolarHBondContact OD1-N 3.28Å; D49-C52 WeakPolarHBondContact OD2-CB 3.45Å; D49-C52 PolarHBondContact OD2-SG 3.48Å; D49-G53 VanDerWaalsContact O-CA 3.29Å; D49-G53 WeakPolarHBondContact O-CA 3.43Å; D49-G53 PolarHBondContact O-N 3.22Å; D49-T54 WeakPolarHBondContact CB-OG1 3.32Å; D49-T54 PolarHBondContact N-O 3.18Å; D49-T54 PolarHBondContact O-N 2.84Å
50L90.3Very high93.4Very high146 Ų14691 Ų9176%0.76454%0.538SS*.THydrogen-bonded Turntrans-74.8-21.5-178.6-60.4177000112.8A44A44-L50 HydrophobicContact CB-CD1 4.42Å; A44-L50 HydrophobicContact CB-CG 4.35Å
51L92.3Very high93.4Very high131 Ų13193.9 Ų93.969%0.68654%0.536SS*.THydrogen-bonded Turntrans-76.4-47.2179.4-178.166.8000110.6F41 D49F41-L51 HydrophobicContact CD1-CD2 3.66Å; F41-L51 HydrophobicContact CE1-CD2 3.81Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 WeakPolarHBondContact OD1-CB 3.46Å; D49-L51 PolarHBondContact OD1-N 3.09Å
52C92.9Very high93.4Very high84 Ų8490.2 Ų90.257%0.56852%0.522SS*.THydrogen-bonded Turntrans-94.7-10.8-177-55.70000113.6D49 T54D49-C52 PolarHBondContact OD1-N 3.28Å; D49-C52 WeakPolarHBondContact OD2-CB 3.45Å; D49-C52 PolarHBondContact OD2-SG 3.48Å; C52-T54 HydrophobicContact CB-CG2 3.84Å
53G91.4Very high93.5Very high49 Ų4989 Ų8951%0.50551%0.513SS..THydrogen-bonded Turntrans70.331.7-175.200000113.6D49 T56D49-G53 VanDerWaalsContact O-CA 3.29Å; D49-G53 WeakPolarHBondContact O-CA 3.43Å; D49-G53 PolarHBondContact O-N 3.22Å; G53-T56 WeakPolarHBondContact O-CG2 3.26Å
54T94.3Very high93.5Very high49 Ų4987.8 Ų87.830%0.30152%0.517SS..BIsolated β-bridgetrans-100.1155.4-178.672.40000112.1K48 D49 C52K48-T54 CarbonylContact C-O 3.59Å; K48-T54 WeakPolarHBondContact CA-O 3.42Å; D49-T54 WeakPolarHBondContact CB-OG1 3.32Å; D49-T54 PolarHBondContact N-O 3.18Å; D49-T54 PolarHBondContact O-N 2.84Å; C52-T54 HydrophobicContact CB-CG2 3.84Å
55P94.2Very high93.7Very high102 Ų10293.3 Ų93.366%0.66254%0.54SS*.SBendcis-68.2152.2-5.430.4-35.5000112.6
56T92.9Very high93.9Very high95 Ų9595.8 Ų95.858%0.58353%0.526SS*.  trans-114.4160.5175.159.50000110.2G53G53-T56 WeakPolarHBondContact O-CG2 3.26Å
57M92.1Very high94Very high161 Ų16197.1 Ų97.179%0.79354%0.541SS*.  trans-67.1149.8166.3-67.5-60.5-65.200109.8
58V93.6Very high94.2Very high65 Ų65100.2 Ų100.239%0.39455%0.549SS..  trans-118.2143177.9-174.20000107.5I62 L63V58-I62 HydrophobicContact CG1-CB 3.67Å; V58-I62 HydrophobicContact CG1-CD1 3.81Å; V58-I62 HydrophobicContact CG1-CG1 4.3Å; V58-I62 HydrophobicContact CG1-CG2 3.64Å; V58-L63 HydrophobicContact CB-CD2 4.47Å
59D94Very high94.1Very high114 Ų114100.2 Ų100.261%0.6156%0.562SS**  trans-63.4145.7-179.4-63.3-33.2000112.3E61 I62 L63D59-E61 PolarHBondContact O-N 3.05Å; D59-I62 PolarHBondContact O-N 3.03Å; D59-L63 PolarHBondContact O-N 3.5Å; D59-L63 VanDerWaalsContact O-N 3.13Å
60D93.6Very high94Very high135 Ų135103.4 Ų103.472%0.72258%0.582SS**Hα-helixtrans-59.4-30.2-179.5-70.7-31.1000112.4I62 L63 S64D60-I62 VanDerWaalsContact C-N 3.34Å; D60-I62 PolarHBondContact O-N 3.24Å; D60-L63 PolarHBondContact O-N 2.75Å; D60-S64 WeakPolarHBondContact O-CB 3.37Å; D60-S64 PolarHBondContact O-N 3.3Å
61E95.6Very high93.9Very high147 Ų147100.7 Ų100.769%0.68758%0.575SS**Hα-helixtrans-61.5-41.6174.8-73.7171.6168.700111.6D59 S64 Q65D59-E61 PolarHBondContact O-N 3.05Å; E61-S64 PolarHBondContact O-N 2.98Å; E61-S64 PolarHBondContact O-OG 3.5Å; E61-Q65 WeakPolarHBondContact O-CG 3.38Å; E61-Q65 PolarHBondContact O-N 3.36Å
62I95.9Very high93.5Very high70 Ų70100.8 Ų100.836%0.35958%0.577SS.*Hα-helixtrans-69.9-43.2176.6-61.8174.9000109.6V58 D59 D60 S64 Q65 Y66V58-I62 HydrophobicContact CG1-CB 3.67Å; V58-I62 HydrophobicContact CG1-CD1 3.81Å; V58-I62 HydrophobicContact CG1-CG1 4.3Å; V58-I62 HydrophobicContact CG1-CG2 3.64Å; D59-I62 PolarHBondContact O-N 3.03Å; D60-I62 VanDerWaalsContact C-N 3.34Å; D60-I62 PolarHBondContact O-N 3.24Å; I62-S64 PolarHBondContact O-N 3.29Å; I62-Q65 WeakPolarHBondContact O-CB 3.43Å; I62-Q65 PolarHBondContact O-N 3.27Å; I62-Q65 VanDerWaalsContact O-N 3.13Å; I62-Y66 HydrophobicContact CG2-CD2 4.23Å; I62-Y66 HydrophobicContact CG2-CE2 3.92Å; I62-Y66 VanDerWaalsContact O-CD2 3.26Å; I62-Y66 WeakPolarHBondContact O-CD2 3.48Å
63L96.1Very high92.1Very high22 Ų22104.2 Ų104.212%0.11559%0.589CS.*Hα-helixtrans-58.4-39177.2-63.3178.1000111.7V58 D59 D60 Q65 Y66 C67 I68 V70V58-L63 HydrophobicContact CB-CD2 4.47Å; D59-L63 PolarHBondContact O-N 3.5Å; D59-L63 VanDerWaalsContact O-N 3.13Å; D60-L63 PolarHBondContact O-N 2.75Å; L63-Q65 VanDerWaalsContact C-N 3.31Å; L63-Q65 PolarHBondContact O-N 3.13Å; L63-Y66 PolarHBondContact O-N 3.14Å; L63-C67 PolarHBondContact O-N 3.34Å; L63-I68 HydrophobicContact CB-CG1 4.33Å; L63-I68 HydrophobicContact CD2-CD1 3.93Å; L63-I68 HydrophobicContact CD2-CG1 3.99Å; L63-I68 PolarHBondContact O-N 3.11Å; L63-I68 VanDerWaalsContact O-N 3.16Å; L63-V70 HydrophobicContact CD1-CG2 4.03Å
64S95.2Very high90.5Very high78 Ų78109.6 Ų109.655%0.54561%0.606SS.*Hα-helixtrans-63.6-34.5178.480.10000113.1D60 E61 I62 Y66 C67D60-S64 WeakPolarHBondContact O-CB 3.37Å; D60-S64 PolarHBondContact O-N 3.3Å; E61-S64 PolarHBondContact O-N 2.98Å; E61-S64 PolarHBondContact O-OG 3.5Å; I62-S64 PolarHBondContact O-N 3.29Å; S64-Y66 PolarHBondContact O-N 2.87Å; S64-C67 PolarHBondContact O-N 3.17Å; S64-C67 VanDerWaalsContact O-N 3.09Å
65Q97.1Very high88.3Confident139 Ų139116.5 Ų116.565%0.6563%0.632SS**Hα-helixtrans-64.8-29.7177.3-67.4170.923.300112.5E61 I62 L63E61-Q65 WeakPolarHBondContact O-CG 3.38Å; E61-Q65 PolarHBondContact O-N 3.36Å; I62-Q65 WeakPolarHBondContact O-CB 3.43Å; I62-Q65 PolarHBondContact O-N 3.27Å; I62-Q65 VanDerWaalsContact O-N 3.13Å; L63-Q65 VanDerWaalsContact C-N 3.31Å; L63-Q65 PolarHBondContact O-N 3.13Å
66Y96.6Very high85.6Confident164 Ų164120.5 Ų120.564%0.64366%0.662SS**THydrogen-bonded Turntrans-95.13.4176.8-64.9-76.1000113I62 L63 S64 I68I62-Y66 HydrophobicContact CG2-CD2 4.23Å; I62-Y66 HydrophobicContact CG2-CE2 3.92Å; I62-Y66 VanDerWaalsContact O-CD2 3.26Å; I62-Y66 WeakPolarHBondContact O-CD2 3.48Å; L63-Y66 PolarHBondContact O-N 3.14Å; S64-Y66 PolarHBondContact O-N 2.87Å; Y66-I68 PolarHBondContact O-N 3.33Å
67C96.2Very high85.2Confident123 Ų123121.8 Ų121.883%0.83167%0.666SS**THydrogen-bonded Turntrans53.637.1-176.1-59.90000113.2L63 S64L63-C67 PolarHBondContact O-N 3.34Å; S64-C67 PolarHBondContact O-N 3.17Å; S64-C67 VanDerWaalsContact O-N 3.09Å
68I95.7Very high84.9Confident101 Ų101119.7 Ų119.752%0.51866%0.659SS.*  trans-117.9157.5178.860.5177.3000111.4L63 Y66L63-I68 HydrophobicContact CB-CG1 4.33Å; L63-I68 HydrophobicContact CD2-CD1 3.93Å; L63-I68 HydrophobicContact CD2-CG1 3.99Å; L63-I68 PolarHBondContact O-N 3.11Å; L63-I68 VanDerWaalsContact O-N 3.16Å; Y66-I68 PolarHBondContact O-N 3.33Å
69S92.3Very high84.4Confident104 Ų104122.7 Ų122.773%0.72767%0.674SS**  trans-140.6143.4175.6640000110.5S71S69-S71 PolarHBondContact O-N 3.06Å
70V91.3Very high83.8Confident92 Ų92123.2 Ų123.256%0.55868%0.677SS**  trans-76.1123.1177.4-178.80000110.3L63L63-V70 HydrophobicContact CD1-CG2 4.03Å
71S89.4Confident83.2Confident90 Ų90122.5 Ų122.563%0.62968%0.675SS**  trans-102.4115172.856.40000110.8S69 L73S69-S71 PolarHBondContact O-N 3.06Å; S71-L73 PolarHBondContact O-N 3.37Å
72N82.6Confident82.4Confident133 Ų133120.9 Ų120.971%0.71167%0.674SS**  trans-82.695.7172.2-83.1-39000109.7N74N72-N74 PolarHBondContact O-N 3.26Å
73L64.4Low81.4Confident156 Ų156124.5 Ų124.582%0.81770%0.696SS**THydrogen-bonded Turntrans-73.14178.9-84.5153.8000114.6S71S71-L73 PolarHBondContact O-N 3.37Å
74N56.6Low80.3Confident162 Ų162132.4 Ų132.487%0.86674%0.741SS**THydrogen-bonded Turntrans-108.329.9178.2-67.9-19000113.7N72 S76N72-N74 PolarHBondContact O-N 3.26Å; N74-S76 PolarHBondContact O-N 2.88Å
75K48.3Very low79Confident194 Ų194136.9 Ų136.984%0.84376%0.757SS**  trans-92.674.4159.3-84-177.2178175.20108.9
76S38Very low77.4Confident185 Ų185136.7 Ų136.7100%1.29477%0.767SS**  trans-155.50158.3-150.90000110.8N74N74-S76 PolarHBondContact O-N 2.88Å

Retrieved 76 of 76 residues in 141.6 ms (Link to these results)