A0A096M7D8_POEFO Loading...

Myeloid/lymphoid or mixed-lineage leukemia 3

AlphaFold DB , UniProt , Accession A0A096M7D8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 92 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
1Q41Very low74.5Confident219 Ų219105.6 Ų105.6100%1.02351%0.514SS*.  0124.50-79175.5-13.400107.3R3Q1-R3 PolarHBondContact O-N 3.45Å; Q1-R3 VanDerWaalsContact O-N 3.08Å
2N47.8Very low75.3Confident179 Ų179108.8 Ų108.896%0.95754%0.535SS*.  trans-73.297.8-179.7-149.321.8000108.2
3R60.5Low76.3Confident171 Ų171111.1 Ų111.165%0.64555%0.551SS**  trans-80.8133.1178-70.5-176.7177.9162.9-0.8108.2Q1 T19Q1-R3 PolarHBondContact O-N 3.45Å; Q1-R3 VanDerWaalsContact O-N 3.08Å; R3-T19 HydrophobicContact CB-CG2 4.08Å
4G66.6Low77.2Confident35 Ų35114.4 Ų114.436%0.36156%0.556SS.*  trans-60.4146174.800000111.2Y6G4-Y6 VanDerWaalsContact O-CD2 3.27Å; G4-Y6 WeakPolarHBondContact O-CD2 3.41Å; G4-Y6 PolarHBondContact O-N 2.62Å
5V79.6Confident78.1Confident116 Ų116112.1 Ų112.170%0.70355%0.551SS**  trans-83.9105.2177.2-177.80000108.2M7V5-M7 HydrophobicContact CG1-CB 4.27Å; V5-M7 HydrophobicContact CG1-CG 4.23Å; V5-M7 HydrophobicContact CG1-SD 4.27Å
6Y87.8Confident78.9Confident76 Ų76109.7 Ų109.730%0.29854%0.54SS..  trans-114.760.1179.5-58.3-69.9000110.5G4 A18 R26G4-Y6 VanDerWaalsContact O-CD2 3.27Å; G4-Y6 WeakPolarHBondContact O-CD2 3.41Å; G4-Y6 PolarHBondContact O-N 2.62Å; Y6-A18 PolarHBondContact O-N 2.8Å; Y6-R26 HydrophobicContact CD1-CB 3.82Å; Y6-R26 HydrophobicContact CD1-CG 4.26Å; Y6-R26 VanDerWaalsContact CD1-O 3.22Å; Y6-R26 WeakPolarHBondContact CD1-O 3.38Å; Y6-R26 HydrophobicContact CE1-CB 4.43Å; Y6-R26 HydrophobicContact CE1-CG 4.44Å; Y6-R26 WeakPolarHBondContact CE1-O 3.47Å; Y6-R26 HydrophobicContact CG-CB 4.26Å
7M87.4Confident79.7Confident113 Ų113107.9 Ų107.956%0.55753%0.533SS*.EExtended strand (participates in β ladder)trans-116136.6-174-67.3177.8-177.500110.7V5 V15 I16V5-M7 HydrophobicContact CG1-CB 4.27Å; V5-M7 HydrophobicContact CG1-CG 4.23Å; V5-M7 HydrophobicContact CG1-SD 4.27Å; M7-V15 HydrophobicContact CB-CG1 3.84Å; M7-V15 HydrophobicContact CG-CG1 4.31Å; M7-I16 WeakPolarHBondContact CA-O 3.5Å
8F88.6Confident80.5Confident49 Ų49102.8 Ų102.822%0.21551%0.511CS..EExtended strand (participates in β ladder)trans-131.6123.8175.8-161.6-69.8000110.2V15 I16 T38 I49 Y65F8-V15 CarbonylContact O-C 3.52Å; F8-V15 WeakPolarHBondContact O-CA 3.4Å; F8-I16 PolarHBondContact N-O 2.94Å; F8-I16 PolarHBondContact O-N 2.89Å; F8-T38 HydrophobicContact CE2-CG2 3.74Å; F8-T38 HydrophobicContact CZ-CG2 3.87Å; F8-I49 HydrophobicContact CB-CD1 3.68Å; F8-I49 HydrophobicContact CD1-CD1 3.14Å; F8-I49 HydrophobicContact CD1-CG1 3.76Å; F8-I49 HydrophobicContact CD1-CG2 4.27Å; F8-I49 HydrophobicContact CD2-CD1 4.34Å; F8-I49 HydrophobicContact CE1-CD1 3.82Å; F8-I49 HydrophobicContact CE1-CG1 3.92Å; F8-I49 HydrophobicContact CE1-CG2 3.9Å; F8-I49 HydrophobicContact CE2-CG2 4.22Å; F8-I49 HydrophobicContact CG-CD1 3.46Å; F8-I49 VanDerWaalsContact CG-CD1 3.46Å; F8-I49 HydrophobicContact CG-CG1 4.43Å; F8-I49 HydrophobicContact CZ-CG2 3.88Å; F8-Y65 HydrophobicContact CD2-CE2 4.39Å; F8-Y65 AromaticContact CE2-CE2 3.75Å; F8-Y65 HydrophobicContact CE2-CE2 3.75Å; F8-Y65 AromaticContact CE2-CZ 3.99Å
9R87.4Confident81Confident120 Ų12099.5 Ų99.545%0.45350%0.497SS..EExtended strand (participates in β ladder)trans-76.7122.9179.4-171.2-172.6-67.1-102.514.2110.2D11 V15 D70R9-D11 WeakPolarHBondContact CD-O 3.37Å; R9-D11 WeakPolarHBondContact CG-O 3.36Å; R9-V15 HydrophobicContact CG-CG2 4.49Å; R9-D70 IonicContact CZ-OD2 3.6Å; R9-D70 IonicContact NE-OD2 2.62Å; R9-D70 IonicContact NH2-OD2 2.63Å; R9-D70 PolarHBondContact NH2-OD2 3.45Å
10I87.6Confident81.4Confident33 Ų33101.6 Ų101.617%0.16951%0.508CS..SBendtrans-82.4-46.4172.4-67.1179.9000109.5Y14 I16 V40 N47 I49I10-Y14 PolarHBondContact N-O 3.14Å; I10-I16 HydrophobicContact CD1-CD1 3.49Å; I10-I16 VanDerWaalsContact CD1-CD1 3.49Å; I10-I16 HydrophobicContact CD1-CG1 3.6Å; I10-I16 HydrophobicContact CG1-CD1 3.79Å; I10-I16 HydrophobicContact CG1-CG1 3.9Å; I10-V40 HydrophobicContact CG2-CG1 3.92Å; I10-V40 HydrophobicContact CG2-CG2 4.48Å; I10-N47 HydrophobicContact CG2-CB 3.73Å; I10-I49 HydrophobicContact CG1-CD1 4.31Å; I10-I49 HydrophobicContact CG1-CG1 4.3Å
11D84.8Confident81.9Confident51 Ų51102.1 Ų102.127%0.27352%0.517SS..SBendtrans-153-168.1-178.557.945.6000109.9R9 D13 Y14R9-D11 WeakPolarHBondContact CD-O 3.37Å; R9-D11 WeakPolarHBondContact CG-O 3.36Å; D11-D13 PolarHBondContact O-N 3.49Å; D11-D13 WeakPolarHBondContact OD1-CA 3.28Å; D11-D13 PolarHBondContact OD1-N 2.82Å; D11-Y14 PolarHBondContact N-O 2.83Å; D11-Y14 WeakPolarHBondContact OD1-CD2 3.19Å; D11-Y14 PolarHBondContact OD1-N 2.84Å
12N84.7Confident84.3Confident143 Ų14393.7 Ų93.777%0.76549%0.489SS*.SBendtrans-68.2-22-177.2-68.6-24.6000113.5
13D88.4Confident86.4Confident139 Ų13987.1 Ų87.174%0.74346%0.463SS*.SBendtrans-106.3-26.7-171.4-59-44000112.3D11D11-D13 PolarHBondContact O-N 3.49Å; D11-D13 WeakPolarHBondContact OD1-CA 3.28Å; D11-D13 PolarHBondContact OD1-N 2.82Å
14Y88.9Confident88Confident158 Ų15884.3 Ų84.362%0.6247%0.468SS*.  trans-124.6138.8-170.7-61.2-79.7000114.4I10 D11I10-Y14 PolarHBondContact N-O 3.14Å; D11-Y14 PolarHBondContact N-O 2.83Å; D11-Y14 WeakPolarHBondContact OD1-CD2 3.19Å; D11-Y14 PolarHBondContact OD1-N 2.84Å
15V90.8Very high89.4Confident80 Ų8085 Ų8549%0.48547%0.47SS..EExtended strand (participates in β ladder)trans-128.6138.4176.3177.40000109.4M7 F8 R9M7-V15 HydrophobicContact CB-CG1 3.84Å; M7-V15 HydrophobicContact CG-CG1 4.31Å; F8-V15 CarbonylContact O-C 3.52Å; F8-V15 WeakPolarHBondContact O-CA 3.4Å; R9-V15 HydrophobicContact CG-CG2 4.49Å
16I90.8Very high90.1Very high73 Ų7383.5 Ų83.537%0.37445%0.451SS..EExtended strand (participates in β ladder)trans-90.4123.7168.2-64.6173.1000108.8M7 F8 I10 I49M7-I16 WeakPolarHBondContact CA-O 3.5Å; F8-I16 PolarHBondContact N-O 2.94Å; F8-I16 PolarHBondContact O-N 2.89Å; I10-I16 HydrophobicContact CD1-CD1 3.49Å; I10-I16 VanDerWaalsContact CD1-CD1 3.49Å; I10-I16 HydrophobicContact CD1-CG1 3.6Å; I10-I16 HydrophobicContact CG1-CD1 3.79Å; I10-I16 HydrophobicContact CG1-CG1 3.9Å; I16-I49 HydrophobicContact CB-CD1 4.44Å; I16-I49 HydrophobicContact CD1-CD1 3.44Å; I16-I49 VanDerWaalsContact CD1-CD1 3.44Å; I16-I49 HydrophobicContact CD1-CG1 4.09Å; I16-I49 HydrophobicContact CG1-CD1 4.29Å
17D92.5Very high90.4Very high79 Ų7986 Ų8642%0.42246%0.461SS..EExtended strand (participates in β ladder)trans-104.7121.8174.2-177.910.9000111T19D17-T19 WeakPolarHBondContact OD1-CB 3.26Å; D17-T19 PolarHBondContact OD1-N 2.91Å; D17-T19 PolarHBondContact OD1-OG1 2.86Å
18A93.3Very high90.8Very high17 Ų1781.8 Ų81.814%0.1444%0.441CS..  trans-107.314.9176.800000113.5Y6 T21 R26Y6-A18 PolarHBondContact O-N 2.8Å; A18-T21 WeakPolarHBondContact CA-O 3.44Å; A18-R26 HydrophobicContact CB-CB 4.13Å
19T89.7Confident91.2Very high39 Ų3983.2 Ų83.224%0.23945%0.45CS..SBendtrans-67.6-39.8-174.5-56.60000113.3R3 D17R3-T19 HydrophobicContact CB-CG2 4.08Å; D17-T19 WeakPolarHBondContact OD1-CB 3.26Å; D17-T19 PolarHBondContact OD1-N 2.91Å; D17-T19 PolarHBondContact OD1-OG1 2.86Å
20I89.9Confident91.5Very high141 Ų14178.2 Ų78.272%0.72343%0.432SS*.SBendtrans-95.8-47.1179.4-54.2-178.9000110.3
21T91.8Very high91.9Very high114 Ų11477.1 Ų77.170%0.69943%0.428SS*.SBendtrans-139.1132.8-178.658.10000109.8A18A18-T21 WeakPolarHBondContact CA-O 3.44Å
22G91.9Very high92.5Very high41 Ų4176.1 Ų76.142%0.42342%0.424SS..  trans-177.9173.6176.700000112.4R26G22-R26 PolarHBondContact O-NH1 2.98Å
23G92.4Very high93Very high41 Ų4172.3 Ų72.342%0.42341%0.413SS..  trans-78.3175.4178.100000113.8A25 R26G23-A25 PolarHBondContact O-N 2.97Å; G23-R26 WeakPolarHBondContact O-CG 3.42Å; G23-R26 PolarHBondContact O-N 3.47Å
24P94.3Very high93.5Very high113 Ų11367.8 Ų67.873%0.73439%0.391SS*.G310 helixtrans-60.5-22.2176-23.634.3000114.3R26 Y27P24-R26 PolarHBondContact O-N 2.81Å; P24-Y27 PolarHBondContact O-N 2.93Å
25A94.8Very high93.9Very high49 Ų4960.4 Ų60.441%0.40536%0.362SS..G310 helixtrans-57.4-20.9-179.900000114G23 Y27 I28 I51G23-A25 PolarHBondContact O-N 2.97Å; A25-Y27 PolarHBondContact O-N 3.33Å; A25-I28 HydrophobicContact CB-CD1 4.07Å; A25-I28 WeakPolarHBondContact O-CB 3.47Å; A25-I28 WeakPolarHBondContact O-CG1 3.45Å; A25-I28 PolarHBondContact O-N 2.97Å; A25-I28 VanDerWaalsContact O-N 3.11Å; A25-I51 HydrophobicContact CB-CD1 4.12Å
26R94.1Very high94.3Very high84 Ų8456.9 Ų56.932%0.31734%0.341SS..G310 helixtrans-60.5-14.3176.474.3179.1178.9-107.11.6114.6Y6 A18 G22 G23 P24Y6-R26 HydrophobicContact CD1-CB 3.82Å; Y6-R26 HydrophobicContact CD1-CG 4.26Å; Y6-R26 VanDerWaalsContact CD1-O 3.22Å; Y6-R26 WeakPolarHBondContact CD1-O 3.38Å; Y6-R26 HydrophobicContact CE1-CB 4.43Å; Y6-R26 HydrophobicContact CE1-CG 4.44Å; Y6-R26 WeakPolarHBondContact CE1-O 3.47Å; Y6-R26 HydrophobicContact CG-CB 4.26Å; A18-R26 HydrophobicContact CB-CB 4.13Å; G22-R26 PolarHBondContact O-NH1 2.98Å; G23-R26 WeakPolarHBondContact O-CG 3.42Å; G23-R26 PolarHBondContact O-N 3.47Å; P24-R26 PolarHBondContact O-N 2.81Å
27Y95.1Very high94.5Very high128 Ų12856.9 Ų56.950%0.50234%0.341SS..G310 helixtrans-100.94.3-180-62.1-65.5000113.8P24 A25 N29P24-Y27 PolarHBondContact O-N 2.93Å; A25-Y27 PolarHBondContact O-N 3.33Å; Y27-N29 PolarHBondContact O-N 2.79Å
28I96Very high94.6Very high26 Ų2654.6 Ų54.613%0.13333%0.33CS..PPolyproline II helixtrans-76.3116.4177.1-61.6170.7000108.1A25 I51 L63 Y65 Y67A25-I28 HydrophobicContact CB-CD1 4.07Å; A25-I28 WeakPolarHBondContact O-CB 3.47Å; A25-I28 WeakPolarHBondContact O-CG1 3.45Å; A25-I28 PolarHBondContact O-N 2.97Å; A25-I28 VanDerWaalsContact O-N 3.11Å; I28-I51 HydrophobicContact CD1-CD1 3.56Å; I28-L63 HydrophobicContact CG2-CB 4.31Å; I28-L63 WeakPolarHBondContact CG2-O 3.27Å; I28-Y65 HydrophobicContact CB-CD1 4.24Å; I28-Y65 HydrophobicContact CB-CE1 3.93Å; I28-Y65 HydrophobicContact CG2-CD1 3.45Å; I28-Y65 VanDerWaalsContact CG2-CD1 3.45Å; I28-Y65 HydrophobicContact CG2-CE1 3.67Å; I28-Y67 PolarHBondContact O-OH 3.44Å
29N95.4Very high94.6Very high78 Ų7858.5 Ų58.542%0.41735%0.345SS..EExtended strand (participates in β ladder)trans-79.9168.2-171.3-75.3-49.4000113.8Y27 E62 C64 Y65 Y67Y27-N29 PolarHBondContact O-N 2.79Å; N29-E62 PolarHBondContact ND2-OE1 3.27Å; N29-C64 WeakPolarHBondContact O-CA 3.08Å; N29-C64 VanDerWaalsContact O-CB 3.26Å; N29-C64 WeakPolarHBondContact O-CB 3.26Å; N29-Y65 PolarHBondContact O-N 3.25Å; N29-Y67 WeakPolarHBondContact CA-OH 3.4Å
30H94.9Very high94.7Very high15 Ų1559.7 Ų59.77%0.06935%0.353CS..EExtended strand (participates in β ladder)trans-76.4140169.2178.556.6000112.3Y65 D66 Y67 C80 R88 M91H30-Y65 WeakPolarHBondContact CA-O 3.49Å; H30-Y65 PolarHBondContact ND1-O 3.21Å; H30-D66 IonicContact CE1-OD1 3.18Å; H30-D66 PolarHBondContact CE1-OD1 2.84Å; H30-D66 IonicContact ND1-OD1 2.71Å; H30-Y67 HydrophobicContact CB-CD1 3.81Å; H30-Y67 HydrophobicContact CB-CD2 3.82Å; H30-Y67 HydrophobicContact CB-CE1 3.94Å; H30-Y67 HydrophobicContact CB-CE2 3.94Å; H30-Y67 HydrophobicContact CB-CG 3.76Å; H30-Y67 PolarHBondContact ND1-N 2.83Å; H30-Y67 VanDerWaalsContact ND1-N 3.2Å; H30-C80 VanDerWaalsContact CD2-SG 3.53Å; H30-R88 PolarHBondContact CE1-NH2 3.31Å; H30-M91 HydrophobicContact CB-CG 4.44Å; H30-M91 HydrophobicContact CB-SD 4.07Å
31S96.6Very high94.8Very high11 Ų1155.9 Ų55.98%0.07734%0.335CS..  trans-139.4142.6161.2179.30000111.4A33 P34 C64 Y65S31-A33 PolarHBondContact O-N 3.17Å; S31-A33 PolarHBondContact OG-N 3.04Å; S31-A33 PolarHBondContact OG-O 2.97Å; S31-P34 WeakPolarHBondContact O-CD 3.43Å; S31-C64 WeakPolarHBondContact CB-SG 3.44Å; S31-Y65 PolarHBondContact N-O 3.2Å
32C96Very high94.9Very high30 Ų3054.8 Ų54.820%0.20333%0.329CS..SBendtrans-74.2-11.8169.4-59.40000112.7P34 R88C32-P34 VanDerWaalsContact C-CD 3.48Å; C32-R88 PolarHBondContact SG-N 3.31Å; C32-R88 VanDerWaalsContact SG-N 3.41Å
33A96.4Very high94.9Very high63 Ų6356.1 Ų56.152%0.52133%0.329SS..SBendtrans-125.669.6170.500000109.1S31 A84S31-A33 PolarHBondContact O-N 3.17Å; S31-A33 PolarHBondContact OG-N 3.04Å; S31-A33 PolarHBondContact OG-O 2.97Å; A33-A84 HydrophobicContact CB-CB 3.74Å
34P97.5Very high94.9Very high43 Ų4363 Ų6328%0.27935%0.35SS..  trans-72.6158.2-170.330.7-35.5000113S31 C32 C64 D66S31-P34 WeakPolarHBondContact O-CD 3.43Å; C32-P34 VanDerWaalsContact C-CD 3.48Å; P34-C64 WeakPolarHBondContact CB-O 3.34Å; P34-D66 HydrophobicContact CG-CB 4.47Å
35N98.1Very high94.7Very high3 Ų367.3 Ų67.32%0.01636%0.357CS..SBendtrans-111.9-4.1171.9616.2000113.6S53 C54 R55 I57 E62 L63 C64N35-S53 WeakPolarHBondContact O-CA 3.46Å; N35-C54 PolarHBondContact O-N 3.41Å; N35-C54 PolarHBondContact O-SG 3.18Å; N35-C54 VanDerWaalsContact O-SG 3.33Å; N35-R55 HydrophobicContact CB-CG 4.29Å; N35-I57 HydrophobicContact CB-CD1 4.26Å; N35-I57 HydrophobicContact CB-CG1 4.41Å; N35-E62 PolarHBondContact ND2-O 3.45Å; N35-L63 WeakPolarHBondContact OD1-CA 3.22Å; N35-C64 PolarHBondContact N-O 3.2Å; N35-C64 PolarHBondContact OD1-N 3.46Å; N35-C64 PolarHBondContact OD1-O 3.28Å
36C98.3Very high94.5Very high6 Ų670.5 Ų70.54%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-122.7154.7171.5-64.20000111.4I51 S52 C64 Y65C36-I51 HydrophobicContact CB-CG2 3.83Å; C36-S52 CarbonylContact C-O 3.59Å; C36-S52 VanDerWaalsContact CA-O 3.26Å; C36-S52 WeakPolarHBondContact CA-O 3.46Å; C36-C64 WeakPolarHBondContact CB-O 3.49Å; C36-C64 PolarHBondContact N-O 2.71Å; C36-Y65 WeakPolarHBondContact O-CB 3.45Å
37I96.1Very high94.3Very high73 Ų7369.6 Ų69.637%0.37437%0.365SS..EExtended strand (participates in β ladder)trans-121.6157168.657.6167.6000109.4E39 I51 S52 C54I37-E39 HydrophobicContact CD1-CG 4.49Å; I37-I51 WeakPolarHBondContact O-CA 3.38Å; I37-S52 PolarHBondContact N-O 2.73Å; I37-S52 PolarHBondContact O-N 2.82Å; I37-C54 HydrophobicContact CG2-CB 4.05Å
38T94.1Very high94.1Very high32 Ų3267.7 Ų67.720%0.19636%0.359CS..EExtended strand (participates in β ladder)trans-116.9135.4177.5480000109.7F8 I50 I51 Y65F8-T38 HydrophobicContact CE2-CG2 3.74Å; F8-T38 HydrophobicContact CZ-CG2 3.87Å; T38-I50 WeakPolarHBondContact CA-O 3.35Å; T38-I51 HydrophobicContact CG2-CG1 3.97Å; T38-Y65 HydrophobicContact CG2-CD1 4.13Å; T38-Y65 HydrophobicContact CG2-CD2 3.72Å; T38-Y65 HydrophobicContact CG2-CE1 4.36Å; T38-Y65 HydrophobicContact CG2-CE2 3.99Å; T38-Y65 HydrophobicContact CG2-CG 3.82Å
39E92.6Very high93.9Very high99 Ų9968.4 Ų68.446%0.46336%0.363SS..EExtended strand (participates in β ladder)trans-135.4143.2-180-63.4179.5136.100109.7I37 I50I37-E39 HydrophobicContact CD1-CG 4.49Å; E39-I50 PolarHBondContact N-O 3.3Å; E39-I50 PolarHBondContact O-N 2.93Å
40V92.5Very high93.9Very high64 Ų6468 Ų6839%0.38836%0.36SS..EExtended strand (participates in β ladder)trans-94119.4172179.60000108.1I10 N47 K48I10-V40 HydrophobicContact CG2-CG1 3.92Å; I10-V40 HydrophobicContact CG2-CG2 4.48Å; V40-N47 HydrophobicContact CG1-CB 3.87Å; V40-K48 CarbonylContact C-O 3.6Å; V40-K48 WeakPolarHBondContact CA-O 3.36Å
41V92.9Very high94Very high60 Ų6070.2 Ų70.236%0.36437%0.372SS..EExtended strand (participates in β ladder)trans-119.9132.9179.8-176.30000109V43 K48 I50V41-V43 HydrophobicContact CG1-CG2 4.13Å; V41-V43 PolarHBondContact O-N 3.04Å; V41-K48 PolarHBondContact N-O 2.72Å; V41-K48 PolarHBondContact O-N 2.79Å; V41-I50 HydrophobicContact CB-CG1 4Å; V41-I50 HydrophobicContact CG2-CB 4.36Å; V41-I50 HydrophobicContact CG2-CG1 3.77Å
42T93.6Very high94Very high91 Ų9171.7 Ų71.756%0.55838%0.382SS*.EExtended strand (participates in β ladder)trans-82.7115.9173.2-50.60000109.7E46 N47T42-E46 CarbonylContact C-O 3.58Å; T42-E46 WeakPolarHBondContact CA-O 3.37Å; T42-N47 PolarHBondContact OG1-OD1 3.11Å
43V91.4Very high94.1Very high70 Ų7074 Ų7442%0.42440%0.398SS..EExtended strand (participates in β ladder)trans-120.5124.5176.5-176.70000107.7V41 K45 E46 K48V41-V43 HydrophobicContact CG1-CG2 4.13Å; V41-V43 PolarHBondContact O-N 3.04Å; V43-K45 PolarHBondContact O-N 2.84Å; V43-K45 VanDerWaalsContact O-N 3.14Å; V43-E46 PolarHBondContact N-O 2.91Å; V43-E46 PolarHBondContact O-N 3.23Å; V43-E46 VanDerWaalsContact O-O 3.08Å; V43-K48 HydrophobicContact CB-CG 4.21Å; V43-K48 HydrophobicContact CG2-CG 4.31Å
44E92.2Very high94.1Very high184 Ų18474.4 Ų74.486%0.8640%0.397SS*.THydrogen-bonded Turntrans53.235.7179-61-176160.300114.6E46E44-E46 VanDerWaalsContact C-N 3.25Å; E44-E46 PolarHBondContact O-N 3.19Å
45K89.8Confident94.1Very high204 Ų20477.7 Ų77.789%0.88740%0.404SS*.THydrogen-bonded Turntrans71.49.9-175.5-48.9173.6179175.80115.1V43V43-K45 PolarHBondContact O-N 2.84Å; V43-K45 VanDerWaalsContact O-N 3.14Å
46E89.9Confident94.1Very high116 Ų11688.6 Ų88.654%0.54245%0.445SS..EExtended strand (participates in β ladder)trans-112.1135.7172.6-63.5-172.8169.800110.9T42 V43 E44 K48T42-E46 CarbonylContact C-O 3.58Å; T42-E46 WeakPolarHBondContact CA-O 3.37Å; V43-E46 PolarHBondContact N-O 2.91Å; V43-E46 PolarHBondContact O-N 3.23Å; V43-E46 VanDerWaalsContact O-O 3.08Å; E44-E46 VanDerWaalsContact C-N 3.25Å; E44-E46 PolarHBondContact O-N 3.19Å; E46-K48 WeakPolarHBondContact OE2-CE 3.18Å; E46-K48 IonicContact OE2-NZ 3.89Å; E46-K48 PolarHBondContact OE2-NZ 3.17Å
47N90.9Very high94.1Very high66 Ų6690.8 Ų90.835%0.35346%0.455SS..EExtended strand (participates in β ladder)trans-74.8129.7172.4-71.2-19.6000109.9I10 V40 T42I10-N47 HydrophobicContact CG2-CB 3.73Å; V40-N47 HydrophobicContact CG1-CB 3.87Å; T42-N47 PolarHBondContact OG1-OD1 3.11Å
48K91.4Very high94.2Very high87 Ų8794.1 Ų94.138%0.37847%0.469SS..EExtended strand (participates in β ladder)trans-123.9142.3177.8-57.3-62.6179.8-169.10109.5V40 V41 V43 E46 I50V40-K48 CarbonylContact C-O 3.6Å; V40-K48 WeakPolarHBondContact CA-O 3.36Å; V41-K48 PolarHBondContact N-O 2.72Å; V41-K48 PolarHBondContact O-N 2.79Å; V43-K48 HydrophobicContact CB-CG 4.21Å; V43-K48 HydrophobicContact CG2-CG 4.31Å; E46-K48 WeakPolarHBondContact OE2-CE 3.18Å; E46-K48 IonicContact OE2-NZ 3.89Å; E46-K48 PolarHBondContact OE2-NZ 3.17Å; K48-I50 HydrophobicContact CB-CD1 4.28Å
49I92Very high94.4Very high42 Ų42104.8 Ų104.822%0.21551%0.506CS..EExtended strand (participates in β ladder)trans-87.5121.3170.5-57.3157000107.8F8 I10 I16F8-I49 HydrophobicContact CB-CD1 3.68Å; F8-I49 HydrophobicContact CD1-CD1 3.14Å; F8-I49 HydrophobicContact CD1-CG1 3.76Å; F8-I49 HydrophobicContact CD1-CG2 4.27Å; F8-I49 HydrophobicContact CD2-CD1 4.34Å; F8-I49 HydrophobicContact CE1-CD1 3.82Å; F8-I49 HydrophobicContact CE1-CG1 3.92Å; F8-I49 HydrophobicContact CE1-CG2 3.9Å; F8-I49 HydrophobicContact CE2-CG2 4.22Å; F8-I49 HydrophobicContact CG-CD1 3.46Å; F8-I49 VanDerWaalsContact CG-CD1 3.46Å; F8-I49 HydrophobicContact CG-CG1 4.43Å; F8-I49 HydrophobicContact CZ-CG2 3.88Å; I10-I49 HydrophobicContact CG1-CD1 4.31Å; I10-I49 HydrophobicContact CG1-CG1 4.3Å; I16-I49 HydrophobicContact CB-CD1 4.44Å; I16-I49 HydrophobicContact CD1-CD1 3.44Å; I16-I49 VanDerWaalsContact CD1-CD1 3.44Å; I16-I49 HydrophobicContact CD1-CG1 4.09Å; I16-I49 HydrophobicContact CG1-CD1 4.29Å
50I94.8Very high94.6Very high68 Ų68104 Ų10435%0.34952%0.524SS..EExtended strand (participates in β ladder)trans-108.1133.2176.1-54.1-57.4000108.6T38 E39 V41 K48T38-I50 WeakPolarHBondContact CA-O 3.35Å; E39-I50 PolarHBondContact N-O 3.3Å; E39-I50 PolarHBondContact O-N 2.93Å; V41-I50 HydrophobicContact CB-CG1 4Å; V41-I50 HydrophobicContact CG2-CB 4.36Å; V41-I50 HydrophobicContact CG2-CG1 3.77Å; K48-I50 HydrophobicContact CB-CD1 4.28Å
51I96.1Very high94.9Very high62 Ų62103.8 Ų103.832%0.31852%0.519SS..EExtended strand (participates in β ladder)trans-107.7118.5175.1-54.6-179.7000107.7A25 I28 C36 I37 T38A25-I51 HydrophobicContact CB-CD1 4.12Å; I28-I51 HydrophobicContact CD1-CD1 3.56Å; C36-I51 HydrophobicContact CB-CG2 3.83Å; I37-I51 WeakPolarHBondContact O-CA 3.38Å; T38-I51 HydrophobicContact CG2-CG1 3.97Å
52S97.2Very high95.1Very high43 Ų43106.8 Ų106.830%0.30153%0.529SS..EExtended strand (participates in β ladder)trans-120144.4-177.6-63.90000110C36 I37C36-S52 CarbonylContact C-O 3.59Å; C36-S52 VanDerWaalsContact CA-O 3.26Å; C36-S52 WeakPolarHBondContact CA-O 3.46Å; I37-S52 PolarHBondContact N-O 2.73Å; I37-S52 PolarHBondContact O-N 2.82Å
53S97.9Very high95.4Very high77 Ų77106.2 Ų106.254%0.53852%0.522SS..EExtended strand (participates in β ladder)trans-72.6136.9172.460.20000110.8N35N35-S53 WeakPolarHBondContact O-CA 3.46Å
54C96.5Very high95.7Very high72 Ų72103.5 Ų103.549%0.48651%0.506SS..SBendtrans-96.1-3.5174.764.50000113.7N35 I37N35-C54 PolarHBondContact O-N 3.41Å; N35-C54 PolarHBondContact O-SG 3.18Å; N35-C54 VanDerWaalsContact O-SG 3.33Å; I37-C54 HydrophobicContact CG2-CB 4.05Å
55R97.4Very high95.8Very high113 Ų11396 Ų9643%0.42647%0.47SS..SBendtrans-153.9170.6174.361.2172.9-178.379.4-4110.2N35 I57 E61N35-R55 HydrophobicContact CB-CG 4.29Å; R55-I57 PolarHBondContact O-N 3.34Å; R55-E61 IonicContact CZ-OE2 2.82Å; R55-E61 IonicContact NH1-OE1 3.43Å; R55-E61 IonicContact NH1-OE2 2.85Å; R55-E61 PolarHBondContact NH1-OE2 3.24Å; R55-E61 IonicContact NH2-OE2 3.92Å; R55-E61 PolarHBondContact NH2-OE2 3.04Å
56R98.3Very high96Very high232 Ų23288.3 Ų88.388%0.87544%0.439SS*.  trans-63.5133.2168.2-179.1175.3-81.7-107.41109.7
57I98.4Very high96Very high51 Ų5185.8 Ų85.826%0.26243%0.425SS..  trans-112.3125.8-178-54.8-177.8000108.5N35 R55 E61 L63N35-I57 HydrophobicContact CB-CD1 4.26Å; N35-I57 HydrophobicContact CB-CG1 4.41Å; R55-I57 PolarHBondContact O-N 3.34Å; I57-E61 HydrophobicContact CG2-CB 3.78Å; I57-L63 HydrophobicContact CD1-CD2 3.41Å; I57-L63 VanDerWaalsContact CD1-CD2 3.41Å; I57-L63 HydrophobicContact CG2-CD2 4.1Å
58Q98.3Very high95.6Very high144 Ų14489.7 Ų89.767%0.67344%0.439SS*.  trans-83.6159.9176.9-55.9-176.921.100111.5G60 E61Q58-G60 PolarHBondContact O-N 2.82Å; Q58-E61 HydrophobicContact CB-CG 4.22Å; Q58-E61 WeakPolarHBondContact CB-OE1 3.32Å; Q58-E61 VanDerWaalsContact CG-OE1 3.28Å; Q58-E61 WeakPolarHBondContact CG-OE1 3.34Å; Q58-E61 PolarHBondContact N-OE1 2.57Å; Q58-E61 WeakPolarHBondContact O-CB 2.92Å; Q58-E61 PolarHBondContact O-N 2.96Å
59R98.2Very high94.9Very high255 Ų25588.9 Ų88.996%0.96244%0.435SS*.THydrogen-bonded Turntrans-60.4128.9176.2179.8-179.4177-176.5-0.6110
60G97.6Very high93.9Very high82 Ų8291.7 Ų91.785%0.84545%0.451SS*.THydrogen-bonded Turntrans91.7-6178.600000114.3Q58Q58-G60 PolarHBondContact O-N 2.82Å
61E97.9Very high92.3Very high60 Ų6096.4 Ų96.428%0.2848%0.476SS..PPolyproline II helixtrans-71.9134168.3-67.6-176.2-143.400110.7R55 I57 Q58R55-E61 IonicContact CZ-OE2 2.82Å; R55-E61 IonicContact NH1-OE1 3.43Å; R55-E61 IonicContact NH1-OE2 2.85Å; R55-E61 PolarHBondContact NH1-OE2 3.24Å; R55-E61 IonicContact NH2-OE2 3.92Å; R55-E61 PolarHBondContact NH2-OE2 3.04Å; I57-E61 HydrophobicContact CG2-CB 3.78Å; Q58-E61 HydrophobicContact CB-CG 4.22Å; Q58-E61 WeakPolarHBondContact CB-OE1 3.32Å; Q58-E61 VanDerWaalsContact CG-OE1 3.28Å; Q58-E61 WeakPolarHBondContact CG-OE1 3.34Å; Q58-E61 PolarHBondContact N-OE1 2.57Å; Q58-E61 WeakPolarHBondContact O-CB 2.92Å; Q58-E61 PolarHBondContact O-N 2.96Å
62E98Very high90.8Very high123 Ų12397.1 Ų97.158%0.57548%0.478SS*.PPolyproline II helixtrans-70.3135.9173.1-176.8178.2-170.400110.7N29 N35N29-E62 PolarHBondContact ND2-OE1 3.27Å; N35-E62 PolarHBondContact ND2-O 3.45Å
63L98.3Very high89.2Confident79 Ų79101.4 Ų101.441%0.41450%0.497SS..PPolyproline II helixtrans-78.8131.4172.2-58.9-177.3000109.6I28 N35 I57I28-L63 HydrophobicContact CG2-CB 4.31Å; I28-L63 WeakPolarHBondContact CG2-O 3.27Å; N35-L63 WeakPolarHBondContact OD1-CA 3.22Å; I57-L63 HydrophobicContact CD1-CD2 3.41Å; I57-L63 VanDerWaalsContact CD1-CD2 3.41Å; I57-L63 HydrophobicContact CG2-CD2 4.1Å
64C97.8Very high87.6Confident14 Ų14103.8 Ų103.810%0.09550%0.504CS..EExtended strand (participates in β ladder)trans-150.3148.3179.7540000111.8N29 S31 P34 N35 C36N29-C64 WeakPolarHBondContact O-CA 3.08Å; N29-C64 VanDerWaalsContact O-CB 3.26Å; N29-C64 WeakPolarHBondContact O-CB 3.26Å; S31-C64 WeakPolarHBondContact CB-SG 3.44Å; P34-C64 WeakPolarHBondContact CB-O 3.34Å; N35-C64 PolarHBondContact N-O 3.2Å; N35-C64 PolarHBondContact OD1-N 3.46Å; N35-C64 PolarHBondContact OD1-O 3.28Å; C36-C64 WeakPolarHBondContact CB-O 3.49Å; C36-C64 PolarHBondContact N-O 2.71Å
65Y96.1Very high86.1Confident26 Ų26108.7 Ų108.710%0.10252%0.52CS..EExtended strand (participates in β ladder)trans-132.1165.7173.565.3-90.9000111.2F8 I28 N29 H30 S31 C36 T38 Y67F8-Y65 HydrophobicContact CD2-CE2 4.39Å; F8-Y65 AromaticContact CE2-CE2 3.75Å; F8-Y65 HydrophobicContact CE2-CE2 3.75Å; F8-Y65 AromaticContact CE2-CZ 3.99Å; I28-Y65 HydrophobicContact CB-CD1 4.24Å; I28-Y65 HydrophobicContact CB-CE1 3.93Å; I28-Y65 HydrophobicContact CG2-CD1 3.45Å; I28-Y65 VanDerWaalsContact CG2-CD1 3.45Å; I28-Y65 HydrophobicContact CG2-CE1 3.67Å; N29-Y65 PolarHBondContact O-N 3.25Å; H30-Y65 WeakPolarHBondContact CA-O 3.49Å; H30-Y65 PolarHBondContact ND1-O 3.21Å; S31-Y65 PolarHBondContact N-O 3.2Å; C36-Y65 WeakPolarHBondContact O-CB 3.45Å; T38-Y65 HydrophobicContact CG2-CD1 4.13Å; T38-Y65 HydrophobicContact CG2-CD2 3.72Å; T38-Y65 HydrophobicContact CG2-CE1 4.36Å; T38-Y65 HydrophobicContact CG2-CE2 3.99Å; T38-Y65 HydrophobicContact CG2-CG 3.82Å; Y65-Y67 AromaticContact CD2-CD1 3.93Å; Y65-Y67 HydrophobicContact CD2-CD1 3.93Å; Y65-Y67 HydrophobicContact CD2-CE1 4.43Å; Y65-Y67 HydrophobicContact CE1-CE1 4.13Å; Y65-Y67 AromaticContact CE2-CD1 3.43Å; Y65-Y67 HydrophobicContact CE2-CD1 3.43Å; Y65-Y67 VanDerWaalsContact CE2-CD1 3.43Å; Y65-Y67 AromaticContact CE2-CE1 3.82Å; Y65-Y67 HydrophobicContact CE2-CE1 3.82Å; Y65-Y67 HydrophobicContact CE2-CG 4.49Å; Y65-Y67 AromaticContact CZ-CD1 3.77Å; Y65-Y67 AromaticContact CZ-CE1 3.63Å; Y65-Y67 PolarHBondContact O-N 3.43Å
66D93.3Very high84.9Confident42 Ų42109.2 Ų109.223%0.22553%0.527CS..  trans-76.9119.6173.3-172.1-0.2000109.7H30 P34 K68 R88H30-D66 IonicContact CE1-OD1 3.18Å; H30-D66 PolarHBondContact CE1-OD1 2.84Å; H30-D66 IonicContact ND1-OD1 2.71Å; P34-D66 HydrophobicContact CG-CB 4.47Å; D66-K68 HydrophobicContact CB-CG 4.21Å; D66-K68 PolarHBondContact O-N 3.24Å; D66-K68 PolarHBondContact OD1-N 3.17Å; D66-K68 VanDerWaalsContact OD1-N 3.11Å; D66-R88 IonicContact OD1-CZ 2.72Å; D66-R88 IonicContact OD1-NH2 3.7Å; D66-R88 PolarHBondContact OD1-NH2 3.21Å; D66-R88 IonicContact OD2-NH1 3.21Å; D66-R88 IonicContact OD2-NH2 3.86Å; D66-R88 PolarHBondContact OD2-NH2 3.14Å
67Y90.1Very high84.1Confident64 Ų64101.1 Ų101.125%0.25150%0.498SS..  trans-68.4-22.1-178.2-79.98.2000111.9I28 N29 H30 Y65 F69 M91I28-Y67 PolarHBondContact O-OH 3.44Å; N29-Y67 WeakPolarHBondContact CA-OH 3.4Å; H30-Y67 HydrophobicContact CB-CD1 3.81Å; H30-Y67 HydrophobicContact CB-CD2 3.82Å; H30-Y67 HydrophobicContact CB-CE1 3.94Å; H30-Y67 HydrophobicContact CB-CE2 3.94Å; H30-Y67 HydrophobicContact CB-CG 3.76Å; H30-Y67 PolarHBondContact ND1-N 2.83Å; H30-Y67 VanDerWaalsContact ND1-N 3.2Å; Y65-Y67 AromaticContact CD2-CD1 3.93Å; Y65-Y67 HydrophobicContact CD2-CD1 3.93Å; Y65-Y67 HydrophobicContact CD2-CE1 4.43Å; Y65-Y67 HydrophobicContact CE1-CE1 4.13Å; Y65-Y67 AromaticContact CE2-CD1 3.43Å; Y65-Y67 HydrophobicContact CE2-CD1 3.43Å; Y65-Y67 VanDerWaalsContact CE2-CD1 3.43Å; Y65-Y67 AromaticContact CE2-CE1 3.82Å; Y65-Y67 HydrophobicContact CE2-CE1 3.82Å; Y65-Y67 HydrophobicContact CE2-CG 4.49Å; Y65-Y67 AromaticContact CZ-CD1 3.77Å; Y65-Y67 AromaticContact CZ-CE1 3.63Å; Y65-Y67 PolarHBondContact O-N 3.43Å; Y67-F69 HydrophobicContact CD2-CD2 4.46Å; Y67-F69 AromaticContact CD2-CE2 3.67Å; Y67-F69 HydrophobicContact CD2-CE2 3.67Å; Y67-F69 AromaticContact CD2-CZ 3.69Å; Y67-F69 HydrophobicContact CD2-CZ 3.69Å; Y67-F69 HydrophobicContact CE2-CZ 4.43Å; Y67-F69 HydrophobicContact CG-CE2 4.49Å; Y67-F69 PolarHBondContact O-N 2.82Å; Y67-M91 HydrophobicContact CD2-SD 4.38Å; Y67-M91 HydrophobicContact CE2-SD 4.44Å
68K81.3Confident83.6Confident147 Ų147102.4 Ų102.464%0.63951%0.505SS*.  trans47.846.6-179.3-59.4-178.7-180-179.90111.7D66 D70D66-K68 HydrophobicContact CB-CG 4.21Å; D66-K68 PolarHBondContact O-N 3.24Å; D66-K68 PolarHBondContact OD1-N 3.17Å; D66-K68 VanDerWaalsContact OD1-N 3.11Å; K68-D70 PolarHBondContact O-N 3.11Å
69F76.8Confident83.2Confident71 Ų7198.5 Ų98.531%0.31149%0.492SS..  trans-56.1141.5173.6-77.6-46000109.7Y67 M91 N92Y67-F69 HydrophobicContact CD2-CD2 4.46Å; Y67-F69 AromaticContact CD2-CE2 3.67Å; Y67-F69 HydrophobicContact CD2-CE2 3.67Å; Y67-F69 AromaticContact CD2-CZ 3.69Å; Y67-F69 HydrophobicContact CD2-CZ 3.69Å; Y67-F69 HydrophobicContact CE2-CZ 4.43Å; Y67-F69 HydrophobicContact CG-CE2 4.49Å; Y67-F69 PolarHBondContact O-N 2.82Å; F69-M91 HydrophobicContact CD2-CB 3.74Å; F69-M91 HydrophobicContact CE2-CB 3.9Å; F69-M91 HydrophobicContact CE2-CE 4.44Å; F69-M91 HydrophobicContact CE2-SD 4.45Å; F69-N92 HydrophobicContact CB-CB 3.88Å
70D70.7Confident83Confident100 Ų10087 Ų8754%0.53545%0.45SS..  trans-56154.8173.9-68.7-44.7000109.4R9 K68 E72R9-D70 IonicContact CZ-OD2 3.6Å; R9-D70 IonicContact NE-OD2 2.62Å; R9-D70 IonicContact NH2-OD2 2.63Å; R9-D70 PolarHBondContact NH2-OD2 3.45Å; K68-D70 PolarHBondContact O-N 3.11Å; D70-E72 PolarHBondContact O-N 2.85Å
71L62.9Low82.9Confident168 Ų16891 Ų9188%0.8845%0.446SS*.  trans-63.4101.8176.4-71.9170.5000109.4
72E64.9Low82.8Confident77 Ų7790.1 Ų90.136%0.3645%0.446SS..  trans-82150.5173-64.2-177.3169.500111.5D70 H76D70-E72 PolarHBondContact O-N 2.85Å; E72-H76 HydrophobicContact CB-CB 4.29Å; E72-H76 VanDerWaalsContact OE2-C 3.29Å; E72-H76 WeakPolarHBondContact OE2-CB 3.18Å
73D61.8Low82.7Confident133 Ų13387.7 Ų87.771%0.71146%0.455SS*.  trans-54.2145.5166.7-114.4-16.3000110Q75 H76D73-Q75 PolarHBondContact O-N 3.38Å; D73-H76 PolarHBondContact O-N 3.14Å
74D64.6Low82.6Confident126 Ų12684.9 Ų84.967%0.67444%0.443SS*.THydrogen-bonded Turntrans-52.4-21.8-172.7-82.2-24.9000114.5K77D74-K77 WeakPolarHBondContact OD1-CE 3.3Å; D74-K77 IonicContact OD1-NZ 3.71Å; D74-K77 PolarHBondContact OD1-NZ 3.17Å
75Q66.2Low82.5Confident176 Ų17691.2 Ų91.282%0.82248%0.48SS*.THydrogen-bonded Turntrans-75.6-17.3-179.9-62.9-176.812.800114.7D73D73-Q75 PolarHBondContact O-N 3.38Å
76H72.3Confident82.4Confident124 Ų12496.9 Ų96.957%0.57451%0.513SS*.THydrogen-bonded Turntrans-111-2.5-174.5-61.799.4000114.2E72 D73 I78E72-H76 HydrophobicContact CB-CB 4.29Å; E72-H76 VanDerWaalsContact OE2-C 3.29Å; E72-H76 WeakPolarHBondContact OE2-CB 3.18Å; D73-H76 PolarHBondContact O-N 3.14Å; H76-I78 PolarHBondContact O-N 3.03Å
77K81.5Confident82.6Confident62 Ų6295.7 Ų95.727%0.2751%0.508SS..PPolyproline II helixtrans-55.9124.7-178.4-68.3-179168.5168.30111.9D74 W90D74-K77 WeakPolarHBondContact OD1-CE 3.3Å; D74-K77 IonicContact OD1-NZ 3.71Å; D74-K77 PolarHBondContact OD1-NZ 3.17Å; K77-W90 HydrophobicContact CB-CD2 3.91Å; K77-W90 HydrophobicContact CB-CE3 3.41Å; K77-W90 VanDerWaalsContact CB-CE3 3.41Å; K77-W90 HydrophobicContact CB-CH2 4.4Å; K77-W90 HydrophobicContact CB-CZ3 3.69Å; K77-W90 HydrophobicContact CD-CD2 4.14Å; K77-W90 HydrophobicContact CD-CE3 4.48Å; K77-W90 HydrophobicContact CD-CG 4.32Å; K77-W90 WeakPolarHBondContact O-CZ3 3.37Å
78I86.4Confident82.7Confident78 Ų7897.3 Ų97.340%0.451%0.513SS..PPolyproline II helixtrans-93.5125177.5-43.7175.5000109.4H76 W90 M91H76-I78 PolarHBondContact O-N 3.03Å; I78-W90 WeakPolarHBondContact O-CA 3.43Å; I78-M91 HydrophobicContact CB-CE 3.44Å; I78-M91 VanDerWaalsContact CB-CE 3.44Å; I78-M91 HydrophobicContact CD1-CE 4.05Å; I78-M91 HydrophobicContact CG1-CE 4.34Å; I78-M91 HydrophobicContact CG2-CE 3.14Å; I78-M91 PolarHBondContact O-N 2.63Å; I78-M91 VanDerWaalsContact O-N 3.08Å
79P91.4Very high83.3Confident62 Ų6296.9 Ų96.940%0.40351%0.511SS..BIsolated β-bridgetrans-64.4137.6-177.425.7-34.4000111.7H81 K89 W90P79-H81 PolarHBondContact O-CD2 3.22Å; P79-K89 WeakPolarHBondContact CA-O 3.42Å; P79-W90 HydrophobicContact CB-CE3 4.4Å; P79-W90 HydrophobicContact CB-CZ3 4.25Å
80C93.4Very high84Confident12 Ų1298.4 Ų98.48%0.08152%0.515CS..PPolyproline II helixtrans-91.1127176.4178.20000110.9H30 C82 K89 W90 M91H30-C80 VanDerWaalsContact CD2-SG 3.53Å; C80-C82 PolarHBondContact SG-SG 3.41Å; C80-K89 PolarHBondContact N-O 2.95Å; C80-W90 VanDerWaalsContact CB-C 3.48Å; C80-W90 WeakPolarHBondContact CB-O 3.48Å; C80-M91 HydrophobicContact CB-CG 4.09Å
81H95.6Very high84.8Confident167 Ų16795.4 Ų95.477%0.77350%0.498SS*.  trans-109.719.4-179.2-65.4-74.7000113.5P79 G83P79-H81 PolarHBondContact O-CD2 3.22Å; H81-G83 PolarHBondContact O-N 3.41Å; H81-G83 VanDerWaalsContact O-N 3.14Å
82C96.2Very high85.6Confident41 Ų4189.2 Ų89.228%0.27747%0.466SS..  trans-66.7-15.2-173.772.10000115.6C80 A84 C87C80-C82 PolarHBondContact SG-SG 3.41Å; C82-A84 PolarHBondContact O-N 3.28Å; C82-A84 VanDerWaalsContact O-N 3.17Å; C82-C87 VanDerWaalsContact SG-SG 3.63Å
83G94.8Very high86.6Confident73 Ų7389.8 Ų89.875%0.75347%0.471SS*.  trans70.84.8178.800000116H81H81-G83 PolarHBondContact O-N 3.41Å; H81-G83 VanDerWaalsContact O-N 3.14Å
84A96.2Very high87.9Confident20 Ų2087.5 Ų87.517%0.16546%0.459CS..  trans-60.8143.7177.800000112.2A33 C82 N86 C87A33-A84 HydrophobicContact CB-CB 3.74Å; C82-A84 PolarHBondContact O-N 3.28Å; C82-A84 VanDerWaalsContact O-N 3.17Å; A84-N86 PolarHBondContact O-N 3.08Å; A84-C87 HydrophobicContact CB-CB 4.27Å; A84-C87 WeakPolarHBondContact O-CB 3.37Å; A84-C87 PolarHBondContact O-N 3.13Å
85V96.3Very high89.2Confident146 Ų14685.4 Ų85.489%0.88545%0.447SS*.THydrogen-bonded Turntrans-53.2-43.3-179.6177.20000111.6
86N94.3Very high90.6Very high146 Ų14680.1 Ų80.178%0.78142%0.424SS*.THydrogen-bonded Turntrans-105.940.8178.5-63.3-26.9000111.9A84 R88A84-N86 PolarHBondContact O-N 3.08Å; N86-R88 PolarHBondContact O-N 3.44Å
87C96.3Very high91.7Very high17 Ų1777.3 Ų77.312%0.11542%0.415CS..  trans-62.2130.9179.3177.20000112C82 A84 K89C82-C87 VanDerWaalsContact SG-SG 3.63Å; A84-C87 HydrophobicContact CB-CB 4.27Å; A84-C87 WeakPolarHBondContact O-CB 3.37Å; A84-C87 PolarHBondContact O-N 3.13Å; C87-K89 PolarHBondContact O-N 2.87Å; C87-K89 VanDerWaalsContact O-N 3.13Å; C87-K89 PolarHBondContact SG-N 3.08Å
88R93.8Very high92.4Very high97 Ų9778.3 Ų78.337%0.36643%0.425SS..  trans-65.5-9.8175.5-66-179.2-69.6-175.8-8.6114.1H30 C32 D66 N86 W90 N92H30-R88 PolarHBondContact CE1-NH2 3.31Å; C32-R88 PolarHBondContact SG-N 3.31Å; C32-R88 VanDerWaalsContact SG-N 3.41Å; D66-R88 IonicContact OD1-CZ 2.72Å; D66-R88 IonicContact OD1-NH2 3.7Å; D66-R88 PolarHBondContact OD1-NH2 3.21Å; D66-R88 IonicContact OD2-NH1 3.21Å; D66-R88 IonicContact OD2-NH2 3.86Å; D66-R88 PolarHBondContact OD2-NH2 3.14Å; N86-R88 PolarHBondContact O-N 3.44Å; R88-W90 PolarHBondContact O-N 3.5Å; R88-W90 VanDerWaalsContact O-N 3.14Å; R88-N92 VanDerWaalsContact CZ-O 3.31Å; R88-N92 VanDerWaalsContact NH1-C 3.28Å; R88-N92 PolarHBondContact NH1-O 2.84Å; R88-N92 PolarHBondContact NH1-OXT 2.82Å
89K93.1Very high92.8Very high139 Ų13978.4 Ų78.460%0.60443%0.427SS*.SBendtrans68.2-7.3-174.2-51.2-59.8-178.1179.60115.5P79 C80 C87P79-K89 WeakPolarHBondContact CA-O 3.42Å; C80-K89 PolarHBondContact N-O 2.95Å; C87-K89 PolarHBondContact O-N 2.87Å; C87-K89 VanDerWaalsContact O-N 3.13Å; C87-K89 PolarHBondContact SG-N 3.08Å
90W91.4Very high93Very high103 Ų10379.6 Ų79.639%0.3943%0.428SS..BIsolated β-bridgetrans-132.5157.5178.7-52103.2000110.4K77 I78 P79 C80 R88 N92K77-W90 HydrophobicContact CB-CD2 3.91Å; K77-W90 HydrophobicContact CB-CE3 3.41Å; K77-W90 VanDerWaalsContact CB-CE3 3.41Å; K77-W90 HydrophobicContact CB-CH2 4.4Å; K77-W90 HydrophobicContact CB-CZ3 3.69Å; K77-W90 HydrophobicContact CD-CD2 4.14Å; K77-W90 HydrophobicContact CD-CE3 4.48Å; K77-W90 HydrophobicContact CD-CG 4.32Å; K77-W90 WeakPolarHBondContact O-CZ3 3.37Å; I78-W90 WeakPolarHBondContact O-CA 3.43Å; P79-W90 HydrophobicContact CB-CE3 4.4Å; P79-W90 HydrophobicContact CB-CZ3 4.25Å; C80-W90 VanDerWaalsContact CB-C 3.48Å; C80-W90 WeakPolarHBondContact CB-O 3.48Å; R88-W90 PolarHBondContact O-N 3.5Å; R88-W90 VanDerWaalsContact O-N 3.14Å; W90-N92 VanDerWaalsContact CB-OD1 3.3Å; W90-N92 WeakPolarHBondContact CB-OD1 3.2Å
91M87.5Confident92.9Very high37 Ų3785.3 Ų85.318%0.18246%0.457CS..  trans-84.2-8.7-178.3-69.6-159.8-83.200114.5H30 Y67 F69 I78 C80H30-M91 HydrophobicContact CB-CG 4.44Å; H30-M91 HydrophobicContact CB-SD 4.07Å; Y67-M91 HydrophobicContact CD2-SD 4.38Å; Y67-M91 HydrophobicContact CE2-SD 4.44Å; F69-M91 HydrophobicContact CD2-CB 3.74Å; F69-M91 HydrophobicContact CE2-CB 3.9Å; F69-M91 HydrophobicContact CE2-CE 4.44Å; F69-M91 HydrophobicContact CE2-SD 4.45Å; I78-M91 HydrophobicContact CB-CE 3.44Å; I78-M91 VanDerWaalsContact CB-CE 3.44Å; I78-M91 HydrophobicContact CD1-CE 4.05Å; I78-M91 HydrophobicContact CG1-CE 4.34Å; I78-M91 HydrophobicContact CG2-CE 3.14Å; I78-M91 PolarHBondContact O-N 2.63Å; I78-M91 VanDerWaalsContact O-N 3.08Å; C80-M91 HydrophobicContact CB-CG 4.09Å
92N79.7Confident92.7Very high37 Ų3777.8 Ų77.820%0.19843%0.429CS..  trans-91.10168.857.4-16.2000112.6F69 R88 W90F69-N92 HydrophobicContact CB-CB 3.88Å; R88-N92 VanDerWaalsContact CZ-O 3.31Å; R88-N92 VanDerWaalsContact NH1-C 3.28Å; R88-N92 PolarHBondContact NH1-O 2.84Å; R88-N92 PolarHBondContact NH1-OXT 2.82Å; W90-N92 VanDerWaalsContact CB-OD1 3.3Å; W90-N92 WeakPolarHBondContact CB-OD1 3.2Å

Retrieved 92 of 92 residues in 25.4 ms (Link to these results)

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