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DNA-directed RNA polymerases I, II, and III subunit RPABC3

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Common component of RNA polymerases I, II and III which synthesize ribosomal RNA precursors, mRNA precursors and many functional non-coding RNAs, and small RNAs, such as 5S rRNA and tRNAs, respectively.

AlphaFold DB , UniProt , Accession A0A096M616, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 150 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
1M49.3Very low82.4Confident216 Ų21651.5 Ų51.5100%1.06428%0.282SS*.  076.70-70.8172.8-164.800108.2
2A61.7Low83.3Confident47 Ų4747.3 Ų47.339%0.38826%0.26SS..  trans-90.1132.2-177.100000110.5R84A2-R84 PolarHBondContact O-NH1 2.93Å; A2-R84 PolarHBondContact O-NH2 3.35Å
3G73.6Confident84.1Confident25 Ų2552 Ų5226%0.25828%0.276SS..SBendtrans83.615.3170.300000117A61 S62G3-A61 CarbonylContact O-C 3.51Å; G3-A61 WeakPolarHBondContact O-CA 3.2Å; G3-A61 WeakPolarHBondContact O-CB 3.34Å; G3-S62 WeakPolarHBondContact CA-OG 3.31Å; G3-S62 PolarHBondContact O-N 3.34Å; G3-S62 PolarHBondContact O-OG 2.49Å
4I86.7Confident84.7Confident59 Ų5953.4 Ų53.430%0.30328%0.283SS..EExtended strand (participates in β ladder)trans-85.9124.3161-63172.6000107E7 V59I4-E7 HydrophobicContact CG2-CB 4.29Å; I4-V59 HydrophobicContact CG1-CG1 4.43Å; I4-V59 HydrophobicContact CG2-CG1 3.99Å
5L87.4Confident85.1Confident37 Ų3752.8 Ų52.819%0.19428%0.28CS..EExtended strand (participates in β ladder)trans-92.4-38.7178.4-61.3178.6000111.2I60 V141L5-I60 HydrophobicContact CB-CG2 4.4Å; L5-I60 HydrophobicContact CD1-CG2 4.35Å; L5-I60 PolarHBondContact N-O 3.21Å; L5-V141 HydrophobicContact CD1-CG1 3.74Å
6F88.3Confident85.3Confident11 Ų1151.3 Ų51.35%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-153.1144-175.9179.7-100.5000110.3D8 F10 M37 L58 V59 I60 L125 F135F6-D8 HydrophobicContact CE1-CB 3.86Å; F6-D8 HydrophobicContact CE2-CB 4.44Å; F6-D8 HydrophobicContact CZ-CB 3.6Å; F6-F10 AromaticContact CE1-CE2 3.76Å; F6-F10 HydrophobicContact CE1-CE2 3.76Å; F6-F10 AromaticContact CE1-CZ 3.83Å; F6-F10 HydrophobicContact CE1-CZ 3.83Å; F6-F10 HydrophobicContact CZ-CE2 4.23Å; F6-F10 AromaticContact CZ-CZ 3.98Å; F6-F10 HydrophobicContact CZ-CZ 3.98Å; F6-M37 HydrophobicContact CE2-CE 3.89Å; F6-M37 HydrophobicContact CE2-SD 3.56Å; F6-M37 VanDerWaalsContact CE2-SD 3.56Å; F6-M37 HydrophobicContact CZ-CE 4.4Å; F6-M37 HydrophobicContact CZ-SD 3.49Å; F6-M37 WeakPolarHBondContact CZ-SD 3.38Å; F6-L58 HydrophobicContact CD1-CD2 4.09Å; F6-L58 HydrophobicContact CE1-CD2 4.23Å; F6-V59 CarbonylContact O-C 3.58Å; F6-V59 WeakPolarHBondContact O-CA 3.44Å; F6-I60 HydrophobicContact CB-CB 4.16Å; F6-I60 HydrophobicContact CB-CD1 4.42Å; F6-I60 HydrophobicContact CD1-CD1 4.11Å; F6-I60 PolarHBondContact N-O 3.45Å; F6-I60 VanDerWaalsContact N-O 3.14Å; F6-I60 PolarHBondContact O-N 3.19Å; F6-L125 HydrophobicContact CD1-CD2 4.13Å; F6-L125 HydrophobicContact CE1-CD1 4.44Å; F6-L125 HydrophobicContact CE1-CD2 4.07Å; F6-L125 HydrophobicContact CG-CD2 4.36Å; F6-L125 HydrophobicContact CZ-CD1 4.5Å; F6-L125 HydrophobicContact CZ-CD2 4.29Å; F6-F135 HydrophobicContact CB-CE2 4.09Å; F6-F135 HydrophobicContact CB-CZ 4.1Å
7E89.6Confident85Confident78 Ų7852 Ų5236%0.36428%0.28SS..EExtended strand (participates in β ladder)trans-150.3127.2176.7168.4172.1-177.300109I4 R57 L58 V59I4-E7 HydrophobicContact CG2-CB 4.29Å; E7-R57 IonicContact OE1-CZ 3.19Å; E7-R57 IonicContact OE1-NE 3Å; E7-R57 PolarHBondContact OE1-NE 2.88Å; E7-R57 IonicContact OE1-NH2 2.98Å; E7-R57 PolarHBondContact OE1-NH2 2.94Å; E7-R57 IonicContact OE2-NH2 2.8Å; E7-L58 WeakPolarHBondContact CA-O 3.43Å; E7-V59 HydrophobicContact CB-CG2 4.14Å; E7-V59 HydrophobicContact CG-CG2 3.87Å
8D90.6Very high85Confident9 Ų955.9 Ų55.95%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-159.5169.7173.8-157.95.4000112.2F6 F10 S32 S34 F35 L58F6-D8 HydrophobicContact CE1-CB 3.86Å; F6-D8 HydrophobicContact CE2-CB 4.44Å; F6-D8 HydrophobicContact CZ-CB 3.6Å; D8-F10 HydrophobicContact CB-CD2 4.46Å; D8-F10 HydrophobicContact CB-CE2 3.82Å; D8-F10 HydrophobicContact CB-CZ 4.32Å; D8-S32 WeakPolarHBondContact OD2-CB 3.39Å; D8-S32 PolarHBondContact OD2-OG 2.81Å; D8-S34 PolarHBondContact OD1-OG 2.66Å; D8-F35 WeakPolarHBondContact OD2-CD2 3.3Å; D8-L58 PolarHBondContact N-O 2.88Å; D8-L58 PolarHBondContact O-N 2.84Å; D8-L58 VanDerWaalsContact O-O 3.13Å
9I92.9Very high84.8Confident55 Ų5554.9 Ų54.928%0.28231%0.306SS..EExtended strand (participates in β ladder)trans-102.9127.6172.6-59.5172.4000108.8E33 F56 R57 L148I9-E33 PolarHBondContact O-N 3.02Å; I9-F56 WeakPolarHBondContact CA-O 3.34Å; I9-R57 HydrophobicContact CG1-CB 4.48Å; I9-L148 HydrophobicContact CB-CD1 4.5Å; I9-L148 HydrophobicContact CD1-CD1 3.84Å; I9-L148 HydrophobicContact CG1-CD1 4.03Å; I9-L148 HydrophobicContact CG2-CD1 3.67Å
10F93.3Very high84.8Confident0 Ų058.3 Ų58.30%032%0.317CS..EExtended strand (participates in β ladder)trans-114.6145.6177.8-71-90.3000111.1F6 D8 C30 E31 M37 L39 K55 F56 L58 L125F6-F10 AromaticContact CE1-CE2 3.76Å; F6-F10 HydrophobicContact CE1-CE2 3.76Å; F6-F10 AromaticContact CE1-CZ 3.83Å; F6-F10 HydrophobicContact CE1-CZ 3.83Å; F6-F10 HydrophobicContact CZ-CE2 4.23Å; F6-F10 AromaticContact CZ-CZ 3.98Å; F6-F10 HydrophobicContact CZ-CZ 3.98Å; D8-F10 HydrophobicContact CB-CD2 4.46Å; D8-F10 HydrophobicContact CB-CE2 3.82Å; D8-F10 HydrophobicContact CB-CZ 4.32Å; F10-C30 HydrophobicContact CB-CB 3.95Å; F10-C30 HydrophobicContact CD1-CB 4.19Å; F10-C30 HydrophobicContact CG-CB 4.43Å; F10-E31 WeakPolarHBondContact CA-O 2.98Å; F10-M37 HydrophobicContact CE1-CB 4.33Å; F10-L39 HydrophobicContact CB-CD2 4.47Å; F10-L39 HydrophobicContact CD1-CB 3.71Å; F10-L39 HydrophobicContact CD1-CD2 3.85Å; F10-L39 HydrophobicContact CD1-CG 4.45Å; F10-L39 HydrophobicContact CD2-CD2 4.03Å; F10-L39 HydrophobicContact CE1-CB 3.54Å; F10-L39 HydrophobicContact CE1-CD2 4.07Å; F10-L39 HydrophobicContact CE1-CG 4.41Å; F10-L39 HydrophobicContact CE2-CD2 4.22Å; F10-L39 HydrophobicContact CG-CD2 3.84Å; F10-L39 HydrophobicContact CZ-CB 4.25Å; F10-L39 HydrophobicContact CZ-CD2 4.25Å; F10-K55 WeakPolarHBondContact O-CA 3.46Å; F10-F56 HydrophobicContact CB-CD2 4.29Å; F10-F56 HydrophobicContact CB-CE1 3.93Å; F10-F56 HydrophobicContact CB-CE2 3.72Å; F10-F56 HydrophobicContact CB-CZ 3.52Å; F10-F56 HydrophobicContact CD2-CE2 4.27Å; F10-F56 HydrophobicContact CG-CE2 4.3Å; F10-F56 HydrophobicContact CG-CZ 4.32Å; F10-F56 PolarHBondContact N-O 3.18Å; F10-F56 PolarHBondContact O-N 2.69Å; F10-L58 HydrophobicContact CD2-CB 3.88Å; F10-L58 HydrophobicContact CE2-CB 4.13Å; F10-L58 HydrophobicContact CE2-CD2 4.3Å; F10-L125 HydrophobicContact CE1-CD1 4.33Å; F10-L125 HydrophobicContact CZ-CD1 3.91Å
11D93.3Very high84.9Confident29 Ų2962.2 Ų62.216%0.15533%0.331CS..EExtended strand (participates in β ladder)trans-109.1128.8173.3-178.110.8000109.3K13 C30 E31 K55D11-K13 PolarHBondContact O-N 3Å; D11-K13 IonicContact OD2-NZ 3.19Å; D11-K13 PolarHBondContact OD2-NZ 3.41Å; D11-C30 CarbonylContact O-C 3.56Å; D11-C30 WeakPolarHBondContact O-CA 3.39Å; D11-C30 WeakPolarHBondContact O-CB 3.4Å; D11-E31 PolarHBondContact N-O 2.85Å; D11-E31 PolarHBondContact O-N 3.18Å; D11-K55 HydrophobicContact CB-CG 4.3Å
12V93.2Very high86.8Confident2 Ų258.5 Ų58.51%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-75.3107.2179.1-178.40000109.4I15 L28 V50 G53 D54 F56V12-I15 HydrophobicContact CG1-CD1 4.06Å; V12-I15 HydrophobicContact CG1-CG1 3.74Å; V12-L28 HydrophobicContact CG1-CD2 4.4Å; V12-V50 HydrophobicContact CG2-CG1 3.69Å; V12-G53 WeakPolarHBondContact O-CA 3.47Å; V12-G53 PolarHBondContact O-N 2.55Å; V12-D54 HydrophobicContact CG2-CB 4.26Å; V12-D54 WeakPolarHBondContact CG2-O 3.18Å; V12-D54 PolarHBondContact N-O 3.44Å; V12-F56 HydrophobicContact CG2-CD1 3.91Å; V12-F56 HydrophobicContact CG2-CE1 3.55Å
13K93.2Very high88Confident108 Ų10862.9 Ų62.947%0.4733%0.326SS..EExtended strand (participates in β ladder)trans-89.1-32.6-179.4-63.6-54.8-171.4-168.40113.7D11 H29 E31 L52D11-K13 PolarHBondContact O-N 3Å; D11-K13 IonicContact OD2-NZ 3.19Å; D11-K13 PolarHBondContact OD2-NZ 3.41Å; K13-H29 PolarHBondContact N-O 2.91Å; K13-E31 WeakPolarHBondContact CE-OE2 3.38Å; K13-E31 HydrophobicContact CG-CB 3.84Å; K13-L52 VanDerWaalsContact O-CD1 3.3Å; K13-L52 WeakPolarHBondContact O-CD1 3.23Å
14D92.9Very high88.8Confident71 Ų7169.4 Ų69.438%0.3834%0.343SS..EExtended strand (participates in β ladder)trans-153.8155.3179.4-155.1-0.3000111.5H29D14-H29 HydrophobicContact CB-CB 4.02Å; D14-H29 PolarHBondContact N-O 2.74Å; D14-H29 VanDerWaalsContact N-O 3.09Å; D14-H29 PolarHBondContact O-N 3.19Å
15I90.4Very high89.1Confident45 Ų4568.4 Ų68.423%0.23134%0.339CS..EExtended strand (participates in β ladder)trans-132.8120.9178.4-54.9-176.8000108.1V12 L28 V50 L52V12-I15 HydrophobicContact CG1-CD1 4.06Å; V12-I15 HydrophobicContact CG1-CG1 3.74Å; I15-L28 HydrophobicContact CB-CD2 4.36Å; I15-L28 HydrophobicContact CD1-CD2 3.99Å; I15-L28 HydrophobicContact CG1-CD2 3.73Å; I15-L28 HydrophobicContact CG2-CD2 4.04Å; I15-V50 WeakPolarHBondContact CD1-O 3.32Å; I15-L52 HydrophobicContact CD1-CB 4.5Å; I15-L52 HydrophobicContact CG1-CD1 4.38Å
16D88.7Confident89.3Confident28 Ų2866.9 Ų66.915%0.1533%0.332CS..  trans53.564179.4-65.7-39.1000114.1D18 G19 S26 R27D16-D18 PolarHBondContact O-N 3.2Å; D16-G19 WeakPolarHBondContact O-CA 3.36Å; D16-G19 PolarHBondContact O-N 3.43Å; D16-S26 WeakPolarHBondContact OD1-CA 3.39Å; D16-S26 VanDerWaalsContact OD2-CB 3.22Å; D16-S26 WeakPolarHBondContact OD2-CB 2.93Å; D16-S26 PolarHBondContact OD2-OG 2.97Å; D16-R27 PolarHBondContact N-O 2.79Å; D16-R27 PolarHBondContact OD1-N 3.24Å
17P80.4Confident89.5Confident64 Ų6470.8 Ų70.842%0.41635%0.346SS..THydrogen-bonded Turntrans-62-27.6-178.323.3-33.6000113.9G19 H29P17-G19 PolarHBondContact O-N 2.7Å; P17-H29 WeakPolarHBondContact CG-NE2 3.25Å
18D84.1Confident89.7Confident122 Ų12267 Ų6765%0.65233%0.329SS*.THydrogen-bonded Turntrans-83.77.7174-69.2-36.2000113.2D16 K21D16-D18 PolarHBondContact O-N 3.2Å; D18-K21 IonicContact OD2-NZ 2.58Å; D18-K21 PolarHBondContact OD2-NZ 2.96Å
19G82.4Confident89.9Confident38 Ų3869.3 Ų69.339%0.39234%0.339SS..  trans81160-168.700000113.2D16 P17 K21D16-G19 WeakPolarHBondContact O-CA 3.36Å; D16-G19 PolarHBondContact O-N 3.43Å; P17-G19 PolarHBondContact O-N 2.7Å; G19-K21 PolarHBondContact O-N 3.09Å
20K85.3Confident89.9Confident121 Ų12166.9 Ų66.953%0.52633%0.327SS..  trans-68.9100.9-177.7-171.5173.3-179.1177.90111F22 D23K20-F22 WeakPolarHBondContact CE-O 3.38Å; K20-F22 VanDerWaalsContact CG-O 3.25Å; K20-F22 WeakPolarHBondContact CG-O 3.22Å; K20-D23 WeakPolarHBondContact CE-O 3.46Å; K20-D23 PolarHBondContact NZ-O 2.86Å
21K86.3Confident89.9Confident142 Ų14270.8 Ų70.862%0.61735%0.345SS*.  trans-86.5-23.8177.8-68.2175.7-175.7164.80113.1D18 G19D18-K21 IonicContact OD2-NZ 2.58Å; D18-K21 PolarHBondContact OD2-NZ 2.96Å; G19-K21 PolarHBondContact O-N 3.09Å
22F89.3Confident89.7Confident137 Ų13769.8 Ų69.860%0.60134%0.34SS*.  trans-129.9145.2-176.7-57.5-76.9000110.9K20 V25K20-F22 WeakPolarHBondContact CE-O 3.38Å; K20-F22 VanDerWaalsContact CG-O 3.25Å; K20-F22 WeakPolarHBondContact CG-O 3.22Å; F22-V25 HydrophobicContact CB-CB 4.26Å; F22-V25 WeakPolarHBondContact CB-O 3.44Å
23D87.4Confident89.2Confident139 Ų13975.4 Ų75.474%0.74337%0.366SS*.SBendtrans-74-38.1-176.7-76.1-28.1000113.7K20K20-D23 WeakPolarHBondContact CE-O 3.46Å; K20-D23 PolarHBondContact NZ-O 2.86Å
24R89.9Confident88.3Confident163 Ų16373.9 Ų73.962%0.61537%0.37SS*.SBendtrans-107.7-13.9-170.1-61.1-179.9-176.5179.11114N44 I45 Q46R24-N44 CarbonylContact O-C 3.45Å; R24-N44 WeakPolarHBondContact O-CA 3.18Å; R24-N44 PolarHBondContact O-OD1 2.83Å; R24-N44 VanDerWaalsContact O-OD1 3.07Å; R24-I45 WeakPolarHBondContact O-CG1 3.45Å; R24-I45 PolarHBondContact O-N 2.97Å; R24-Q46 VanDerWaalsContact CD-OE1 3.3Å
25V91.5Very high87.2Confident38 Ų3875 Ų7523%0.2337%0.371CS..EExtended strand (participates in β ladder)trans-121.3131.9-178.6-179.90000107.8F22 D42 V43 L121F22-V25 HydrophobicContact CB-CB 4.26Å; F22-V25 WeakPolarHBondContact CB-O 3.44Å; V25-D42 HydrophobicContact CG1-CB 4.05Å; V25-V43 VanDerWaalsContact CA-O 3.31Å; V25-V43 WeakPolarHBondContact CA-O 3.32Å; V25-L121 HydrophobicContact CB-CD2 4.47Å; V25-L121 HydrophobicContact CG1-CD2 3.59Å; V25-L121 HydrophobicContact CG2-CD2 3.98Å
26S91.8Very high86.8Confident5 Ų580.5 Ų80.54%0.03539%0.393CS..EExtended strand (participates in β ladder)trans-124.2148.1171.7-74.10000109.8D16 V43D16-S26 WeakPolarHBondContact OD1-CA 3.39Å; D16-S26 VanDerWaalsContact OD2-CB 3.22Å; D16-S26 WeakPolarHBondContact OD2-CB 2.93Å; D16-S26 PolarHBondContact OD2-OG 2.97Å; S26-V43 PolarHBondContact N-O 2.86Å; S26-V43 VanDerWaalsContact N-O 3.08Å; S26-V43 PolarHBondContact O-N 2.95Å
27R93.9Very high86.7Confident92 Ų9279.2 Ų79.235%0.34739%0.386SS..EExtended strand (participates in β ladder)trans-93.8110.5175.7179.7161-70173.20.7109.3D16 I40 D42D16-R27 PolarHBondContact N-O 2.79Å; D16-R27 PolarHBondContact OD1-N 3.24Å; R27-I40 HydrophobicContact CG-CG2 3.61Å; R27-D42 WeakPolarHBondContact CB-OD1 3.34Å; R27-D42 IonicContact CZ-OD1 3.84Å; R27-D42 IonicContact CZ-OD2 2.7Å; R27-D42 IonicContact NE-OD1 3.9Å; R27-D42 PolarHBondContact NE-OD1 3.08Å; R27-D42 IonicContact NE-OD2 3.4Å; R27-D42 IonicContact NH2-OD1 2.65Å; R27-D42 PolarHBondContact NH2-OD1 2.93Å; R27-D42 IonicContact NH2-OD2 2.75Å; R27-D42 PolarHBondContact NH2-OD2 2.88Å
28L93.1Very high87.2Confident0 Ų078.9 Ų78.90%038%0.381CS..EExtended strand (participates in β ladder)trans-86.1135.5176.3-55.1179.5000109.9V12 I15 I40 L41 V43 V50V12-L28 HydrophobicContact CG1-CD2 4.4Å; I15-L28 HydrophobicContact CB-CD2 4.36Å; I15-L28 HydrophobicContact CD1-CD2 3.99Å; I15-L28 HydrophobicContact CG1-CD2 3.73Å; I15-L28 HydrophobicContact CG2-CD2 4.04Å; L28-I40 WeakPolarHBondContact O-CA 3.47Å; L28-L41 PolarHBondContact N-O 3.29Å; L28-L41 PolarHBondContact O-N 3.06Å; L28-V43 HydrophobicContact CD1-CB 4.37Å; L28-V43 HydrophobicContact CD1-CG1 3.85Å; L28-V43 HydrophobicContact CD1-CG2 3.57Å; L28-V43 HydrophobicContact CD2-CG2 4.35Å; L28-V43 HydrophobicContact CG-CG1 4.49Å; L28-V43 HydrophobicContact CG-CG2 3.8Å; L28-V50 HydrophobicContact CD1-CB 4.23Å; L28-V50 HydrophobicContact CD1-CG1 3.98Å; L28-V50 HydrophobicContact CD1-CG2 4.22Å; L28-V50 HydrophobicContact CD2-CB 4.35Å; L28-V50 HydrophobicContact CD2-CG1 4.2Å
29H94.3Very high87.6Confident56 Ų5673.1 Ų73.126%0.25935%0.35SS..EExtended strand (participates in β ladder)trans-108.4113.7166.7-76.1-122.5000107.6K13 D14 P17K13-H29 PolarHBondContact N-O 2.91Å; D14-H29 HydrophobicContact CB-CB 4.02Å; D14-H29 PolarHBondContact N-O 2.74Å; D14-H29 VanDerWaalsContact N-O 3.09Å; D14-H29 PolarHBondContact O-N 3.19Å; P17-H29 WeakPolarHBondContact CG-NE2 3.25Å
30C93.7Very high88.2Confident4 Ų472.5 Ų72.53%0.02734%0.338CS..EExtended strand (participates in β ladder)trans-123.7149.2-174.8-41.60000109.9F10 D11 L39 F56F10-C30 HydrophobicContact CB-CB 3.95Å; F10-C30 HydrophobicContact CD1-CB 4.19Å; F10-C30 HydrophobicContact CG-CB 4.43Å; D11-C30 CarbonylContact O-C 3.56Å; D11-C30 WeakPolarHBondContact O-CA 3.39Å; D11-C30 WeakPolarHBondContact O-CB 3.4Å; C30-L39 HydrophobicContact CB-CB 4.16Å; C30-L39 HydrophobicContact CB-CD2 4.18Å; C30-L39 HydrophobicContact CB-CG 4.42Å; C30-L39 PolarHBondContact N-O 3.32Å; C30-L39 PolarHBondContact O-N 2.92Å; C30-F56 HydrophobicContact CB-CE1 4.19Å; C30-F56 HydrophobicContact CB-CZ 4.01Å; C30-F56 VanDerWaalsContact SG-CZ 3.57Å
31E92.3Very high88.6Confident82 Ų8266.7 Ų66.738%0.38331%0.313SS..EExtended strand (participates in β ladder)trans-121.8137.9177.2-167.1-179.7-177.100108.9F10 D11 K13 M37F10-E31 WeakPolarHBondContact CA-O 2.98Å; D11-E31 PolarHBondContact N-O 2.85Å; D11-E31 PolarHBondContact O-N 3.18Å; K13-E31 WeakPolarHBondContact CE-OE2 3.38Å; K13-E31 HydrophobicContact CG-CB 3.84Å; E31-M37 WeakPolarHBondContact CA-O 3.41Å
32S89.2Confident89Confident8 Ų860.6 Ų60.66%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-71.5138.6175.9156.60000110.8D8 S34 F35 M37D8-S32 WeakPolarHBondContact OD2-CB 3.39Å; D8-S32 PolarHBondContact OD2-OG 2.81Å; S32-S34 PolarHBondContact OG-N 3.1Å; S32-F35 PolarHBondContact OG-N 3Å; S32-M37 PolarHBondContact N-O 3.46Å
33E83.6Confident89.1Confident120 Ų12054.1 Ų54.156%0.56126%0.258SS*.THydrogen-bonded Turntrans-75.6-30.7175.5-169.7163.4-167.400112I9 K55I9-E33 PolarHBondContact O-N 3.02Å; E33-K55 IonicContact OE1-NZ 2.81Å; E33-K55 PolarHBondContact OE1-NZ 3.37Å; E33-K55 IonicContact OE2-NZ 2.74Å; E33-K55 PolarHBondContact OE2-NZ 3.22Å
34S74.6Confident89.4Confident77 Ų7749.4 Ų49.454%0.53823%0.233SC..THydrogen-bonded Turntrans-95.9-39.9-168.8-52.30000113.6D8 S32D8-S34 PolarHBondContact OD1-OG 2.66Å; S32-S34 PolarHBondContact OG-N 3.1Å
35F69.2Low89.4Confident94 Ų9443.5 Ų43.541%0.41221%0.213SC..THydrogen-bonded Turntrans-124.410.9-160.8-62.9-67.5000115D8 S32 M37D8-F35 WeakPolarHBondContact OD2-CD2 3.3Å; S32-F35 PolarHBondContact OG-N 3Å; F35-M37 HydrophobicContact CB-CE 3.7Å; F35-M37 HydrophobicContact CB-CG 3.93Å; F35-M37 HydrophobicContact CB-SD 4.22Å; F35-M37 HydrophobicContact CG-CE 4.27Å; F35-M37 PolarHBondContact O-N 3.42Å
36K81.1Confident89.4Confident161 Ų16147.7 Ų47.770%0.723%0.23SC*.  trans49.445.2-177.1-62.4-175.1176.2-177.20112.5R111K36-R111 PolarHBondContact O-NH2 2.69Å
37M86.4Confident89.4Confident0 Ų053 Ų530%026%0.257CS..  trans-97.7143.5176.2-63.1-176.3178.600110.9F6 F10 E31 S32 F35 L125 Q126 N131F6-M37 HydrophobicContact CE2-CE 3.89Å; F6-M37 HydrophobicContact CE2-SD 3.56Å; F6-M37 VanDerWaalsContact CE2-SD 3.56Å; F6-M37 HydrophobicContact CZ-CE 4.4Å; F6-M37 HydrophobicContact CZ-SD 3.49Å; F6-M37 WeakPolarHBondContact CZ-SD 3.38Å; F10-M37 HydrophobicContact CE1-CB 4.33Å; E31-M37 WeakPolarHBondContact CA-O 3.41Å; S32-M37 PolarHBondContact N-O 3.46Å; F35-M37 HydrophobicContact CB-CE 3.7Å; F35-M37 HydrophobicContact CB-CG 3.93Å; F35-M37 HydrophobicContact CB-SD 4.22Å; F35-M37 HydrophobicContact CG-CE 4.27Å; F35-M37 PolarHBondContact O-N 3.42Å; M37-L125 HydrophobicContact CB-CD1 4.49Å; M37-L125 HydrophobicContact SD-CD1 4.37Å; M37-Q126 VanDerWaalsContact CA-O 3.26Å; M37-Q126 WeakPolarHBondContact CA-O 3.34Å; M37-Q126 WeakPolarHBondContact CB-O 3.28Å; M37-N131 HydrophobicContact CE-CB 3.14Å; M37-N131 VanDerWaalsContact CE-CG 3.5Å; M37-N131 WeakPolarHBondContact CE-ND2 3.42Å
38D91.3Very high89.2Confident57 Ų5749.3 Ų49.331%0.30524%0.243SC..EExtended strand (participates in β ladder)trans-102.9128.1174.9-60-55.5000109Q126D38-Q126 HydrophobicContact CB-CB 4.39Å; D38-Q126 PolarHBondContact N-O 2.97Å; D38-Q126 PolarHBondContact O-N 2.89Å
39L92.8Very high89.1Confident2 Ų253.1 Ų53.11%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-119.6125.5177.8173.367.2000109.4F10 C30 L41 F56 L58 M123 R124 L125F10-L39 HydrophobicContact CB-CD2 4.47Å; F10-L39 HydrophobicContact CD1-CB 3.71Å; F10-L39 HydrophobicContact CD1-CD2 3.85Å; F10-L39 HydrophobicContact CD1-CG 4.45Å; F10-L39 HydrophobicContact CD2-CD2 4.03Å; F10-L39 HydrophobicContact CE1-CB 3.54Å; F10-L39 HydrophobicContact CE1-CD2 4.07Å; F10-L39 HydrophobicContact CE1-CG 4.41Å; F10-L39 HydrophobicContact CE2-CD2 4.22Å; F10-L39 HydrophobicContact CG-CD2 3.84Å; F10-L39 HydrophobicContact CZ-CB 4.25Å; F10-L39 HydrophobicContact CZ-CD2 4.25Å; C30-L39 HydrophobicContact CB-CB 4.16Å; C30-L39 HydrophobicContact CB-CD2 4.18Å; C30-L39 HydrophobicContact CB-CG 4.42Å; C30-L39 PolarHBondContact N-O 3.32Å; C30-L39 PolarHBondContact O-N 2.92Å; L39-L41 HydrophobicContact CD1-CB 4.41Å; L39-L41 HydrophobicContact CG-CB 4.35Å; L39-F56 HydrophobicContact CD2-CE2 4.22Å; L39-F56 HydrophobicContact CD2-CZ 4.05Å; L39-L58 HydrophobicContact CD2-CD1 3.71Å; L39-M123 HydrophobicContact CD1-CE 3.38Å; L39-M123 HydrophobicContact CD1-CG 3.87Å; L39-M123 HydrophobicContact CD1-SD 4.32Å; L39-R124 WeakPolarHBondContact CA-O 3.36Å; L39-L125 HydrophobicContact CB-CD1 4.43Å; L39-L125 HydrophobicContact CD1-CD1 4.26Å
40I94.8Very high88.8Confident24 Ų2451 Ų5112%0.12326%0.259CS..EExtended strand (participates in β ladder)trans-111.9126.8164.2-58.8-177.7000107.2R27 L28 M123 R124R27-I40 HydrophobicContact CG-CG2 3.61Å; L28-I40 WeakPolarHBondContact O-CA 3.47Å; I40-M123 CarbonylContact O-C 3.56Å; I40-M123 VanDerWaalsContact O-CA 3.23Å; I40-M123 WeakPolarHBondContact O-CA 3.46Å; I40-R124 HydrophobicContact CB-CB 4.28Å; I40-R124 VanDerWaalsContact CD1-NH2 3.26Å; I40-R124 PolarHBondContact N-O 3.09Å; I40-R124 PolarHBondContact O-N 3.17Å
41L94.5Very high88.7Confident0 Ų055.9 Ų55.90%029%0.285CS..EExtended strand (participates in β ladder)trans-140.7126.8-176.9-175.965.7000111.3L28 L39 V43 L58 M92 Y118 M123 L143L28-L41 PolarHBondContact N-O 3.29Å; L28-L41 PolarHBondContact O-N 3.06Å; L39-L41 HydrophobicContact CD1-CB 4.41Å; L39-L41 HydrophobicContact CG-CB 4.35Å; L41-V43 HydrophobicContact CD2-CG1 3.66Å; L41-V43 HydrophobicContact CG-CG1 3.75Å; L41-L58 HydrophobicContact CD2-CD1 4.41Å; L41-M92 HydrophobicContact CD1-CE 3.89Å; L41-M92 HydrophobicContact CD2-CE 4.32Å; L41-M92 HydrophobicContact CG-CE 4.42Å; L41-Y118 HydrophobicContact CD1-CE2 4.34Å; L41-M123 HydrophobicContact CD1-CB 3.68Å; L41-M123 HydrophobicContact CD1-CG 3.83Å; L41-M123 HydrophobicContact CD1-SD 4.23Å; L41-L143 HydrophobicContact CD1-CD1 3.83Å; L41-L143 HydrophobicContact CD2-CD1 4.01Å
42D94.1Very high88.6Confident14 Ų1457.5 Ų57.58%0.07530%0.296CS..EExtended strand (participates in β ladder)trans-82.5124168.6-63.8-26.8000109.8V25 R27 L121 L122V25-D42 HydrophobicContact CG1-CB 4.05Å; R27-D42 WeakPolarHBondContact CB-OD1 3.34Å; R27-D42 IonicContact CZ-OD1 3.84Å; R27-D42 IonicContact CZ-OD2 2.7Å; R27-D42 IonicContact NE-OD1 3.9Å; R27-D42 PolarHBondContact NE-OD1 3.08Å; R27-D42 IonicContact NE-OD2 3.4Å; R27-D42 IonicContact NH2-OD1 2.65Å; R27-D42 PolarHBondContact NH2-OD1 2.93Å; R27-D42 IonicContact NH2-OD2 2.75Å; R27-D42 PolarHBondContact NH2-OD2 2.88Å; D42-L121 HydrophobicContact CB-CB 4.02Å; D42-L121 HydrophobicContact CB-CD2 3.87Å; D42-L122 PolarHBondContact N-O 3.07Å; D42-L122 PolarHBondContact OD2-N 2.99Å; D42-L122 VanDerWaalsContact OD2-N 3.08Å
43V92.5Very high88.6Confident0 Ų059.3 Ų59.30%032%0.315CS..EExtended strand (participates in β ladder)trans-127.5152.2179.4-580000112V25 S26 L28 L41 I45 Y90V25-V43 VanDerWaalsContact CA-O 3.31Å; V25-V43 WeakPolarHBondContact CA-O 3.32Å; S26-V43 PolarHBondContact N-O 2.86Å; S26-V43 VanDerWaalsContact N-O 3.08Å; S26-V43 PolarHBondContact O-N 2.95Å; L28-V43 HydrophobicContact CD1-CB 4.37Å; L28-V43 HydrophobicContact CD1-CG1 3.85Å; L28-V43 HydrophobicContact CD1-CG2 3.57Å; L28-V43 HydrophobicContact CD2-CG2 4.35Å; L28-V43 HydrophobicContact CG-CG1 4.49Å; L28-V43 HydrophobicContact CG-CG2 3.8Å; L41-V43 HydrophobicContact CD2-CG1 3.66Å; L41-V43 HydrophobicContact CG-CG1 3.75Å; V43-I45 HydrophobicContact CG2-CG2 4.05Å; V43-I45 PolarHBondContact O-N 2.86Å; V43-Y90 HydrophobicContact CG1-CE1 4.47Å
44N92.9Very high89Confident40 Ų4055.6 Ų55.621%0.21430%0.299CS..EExtended strand (participates in β ladder)trans-8596.6173.4-175.1-13.6000110.8R24 Q46 I47 Y48 Y90R24-N44 CarbonylContact O-C 3.45Å; R24-N44 WeakPolarHBondContact O-CA 3.18Å; R24-N44 PolarHBondContact O-OD1 2.83Å; R24-N44 VanDerWaalsContact O-OD1 3.07Å; N44-Q46 PolarHBondContact O-N 2.79Å; N44-Q46 VanDerWaalsContact O-N 3.17Å; N44-Q46 VanDerWaalsContact OD1-CB 3.28Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.31Å; N44-Q46 PolarHBondContact OD1-N 2.83Å; N44-Q46 VanDerWaalsContact OD1-N 3.09Å; N44-I47 HydrophobicContact CB-CD1 4.09Å; N44-I47 HydrophobicContact CB-CG1 3.89Å; N44-I47 WeakPolarHBondContact O-CG1 3.47Å; N44-I47 PolarHBondContact O-N 3.01Å; N44-Y48 PolarHBondContact O-N 3.08Å; N44-Y48 VanDerWaalsContact O-N 3.1Å; N44-Y90 PolarHBondContact N-OH 2.77Å
45I90.2Very high89.8Confident40 Ų4054.2 Ų54.221%0.20528%0.284CS..THydrogen-bonded Turntrans-67.1-12.7-178.256.6160.5000114.1R24 V43R24-I45 WeakPolarHBondContact O-CG1 3.45Å; R24-I45 PolarHBondContact O-N 2.97Å; V43-I45 HydrophobicContact CG2-CG2 4.05Å; V43-I45 PolarHBondContact O-N 2.86Å
46Q90.4Very high90.9Very high126 Ų12649.8 Ų49.859%0.58926%0.264SS*.THydrogen-bonded Turntrans-73.5-37.3177.2-172-177.1-6.100112R24 N44R24-Q46 VanDerWaalsContact CD-OE1 3.3Å; N44-Q46 PolarHBondContact O-N 2.79Å; N44-Q46 VanDerWaalsContact O-N 3.17Å; N44-Q46 VanDerWaalsContact OD1-CB 3.28Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.31Å; N44-Q46 PolarHBondContact OD1-N 2.83Å; N44-Q46 VanDerWaalsContact OD1-N 3.09Å
47I91.8Very high91.5Very high116 Ų11646.6 Ų46.660%0.59525%0.248SC*.THydrogen-bonded Turntrans-97.1-29.5-178.759.3177.1000111.9N44 Y90N44-I47 HydrophobicContact CB-CD1 4.09Å; N44-I47 HydrophobicContact CB-CG1 3.89Å; N44-I47 WeakPolarHBondContact O-CG1 3.47Å; N44-I47 PolarHBondContact O-N 3.01Å; I47-Y90 HydrophobicContact CD1-CD2 4.48Å; I47-Y90 HydrophobicContact CD1-CE2 3.73Å; I47-Y90 HydrophobicContact CG1-CE2 3.96Å
48Y90.9Very high91.8Very high15 Ų1546.6 Ų46.66%0.05925%0.248CC..SBendtrans-133.385179.7-165.3-106.5000109.3N44 V50 E89 Y90 M145 K147N44-Y48 PolarHBondContact O-N 3.08Å; N44-Y48 VanDerWaalsContact O-N 3.1Å; Y48-V50 HydrophobicContact CD1-CG2 3.6Å; Y48-V50 HydrophobicContact CE1-CG2 3.79Å; Y48-V50 PolarHBondContact O-N 2.89Å; Y48-E89 HydrophobicContact CD2-CB 4.46Å; Y48-E89 HydrophobicContact CE2-CB 3.66Å; Y48-E89 PolarHBondContact OH-OE2 3.39Å; Y48-Y90 HydrophobicContact CD1-CD2 4.41Å; Y48-Y90 HydrophobicContact CD1-CG 4.27Å; Y48-Y90 HydrophobicContact CD2-CD2 4.36Å; Y48-Y90 AromaticContact CG-CD2 3.88Å; Y48-Y90 HydrophobicContact CG-CD2 3.88Å; Y48-Y90 HydrophobicContact CG-CG 4.09Å; Y48-M145 HydrophobicContact CD1-CE 4.49Å; Y48-M145 HydrophobicContact CD1-SD 4.41Å; Y48-M145 HydrophobicContact CE1-CE 3.69Å; Y48-M145 HydrophobicContact CE1-CG 4.33Å; Y48-M145 HydrophobicContact CE1-SD 3.81Å; Y48-K147 HydrophobicContact CE1-CD 4.11Å; Y48-K147 HydrophobicContact CE1-CG 4.35Å; Y48-K147 HydrophobicContact CE2-CD 4.05Å; Y48-K147 WeakPolarHBondContact OH-CD 3.41Å; Y48-K147 WeakPolarHBondContact OH-CG 3.37Å; Y48-K147 PolarHBondContact OH-N 3.32Å
49P89.9Confident91.8Very high80 Ų8044.2 Ų44.252%0.51924%0.235SC..  trans-67.1129.4-178.927.5-33000109.2K147P49-K147 WeakPolarHBondContact O-CE 3.37Å; P49-K147 PolarHBondContact O-NZ 2.69Å
50V89.7Confident91.8Very high11 Ų1144.1 Ų44.17%0.06723%0.234CC..  trans-124.2130178.9-179.30000108.5V12 I15 L28 Y48 D54 M145V12-V50 HydrophobicContact CG2-CG1 3.69Å; I15-V50 WeakPolarHBondContact CD1-O 3.32Å; L28-V50 HydrophobicContact CD1-CB 4.23Å; L28-V50 HydrophobicContact CD1-CG1 3.98Å; L28-V50 HydrophobicContact CD1-CG2 4.22Å; L28-V50 HydrophobicContact CD2-CB 4.35Å; L28-V50 HydrophobicContact CD2-CG1 4.2Å; Y48-V50 HydrophobicContact CD1-CG2 3.6Å; Y48-V50 HydrophobicContact CE1-CG2 3.79Å; Y48-V50 PolarHBondContact O-N 2.89Å; V50-D54 HydrophobicContact CG1-CB 4.26Å; V50-M145 HydrophobicContact CG2-CE 4.38Å
51D89.6Confident91.5Very high107 Ų10743 Ų4357%0.57223%0.229SC*.  trans-104.3159.5179.7-67.7-53.6000111.2G53 D54D51-G53 PolarHBondContact O-N 2.83Å; D51-D54 PolarHBondContact N-OD2 3.19Å; D51-D54 VanDerWaalsContact O-CB 3.32Å; D51-D54 WeakPolarHBondContact O-CB 3.43Å; D51-D54 PolarHBondContact O-N 3.06Å
52L90.7Very high91.2Very high116 Ų11645.4 Ų45.461%0.60725%0.246SC*.THydrogen-bonded Turntrans-64.9130.1177.5-171.771.9000110.2K13 I15 D54K13-L52 VanDerWaalsContact O-CD1 3.3Å; K13-L52 WeakPolarHBondContact O-CD1 3.23Å; I15-L52 HydrophobicContact CD1-CB 4.5Å; I15-L52 HydrophobicContact CG1-CD1 4.38Å; L52-D54 VanDerWaalsContact C-N 3.33Å
53G89.2Confident90.9Very high45 Ų4544.8 Ų44.846%0.46424%0.243SC..THydrogen-bonded Turntrans83.82.8-176.200000114.8V12 D51V12-G53 WeakPolarHBondContact O-CA 3.47Å; V12-G53 PolarHBondContact O-N 2.55Å; D51-G53 PolarHBondContact O-N 2.83Å
54D91.9Very high90.4Very high43 Ų4345.8 Ų45.823%0.2325%0.248CC..  trans-63.6138.9169.7-83.4-10.7000110.5V12 V50 D51 L52 K147V12-D54 HydrophobicContact CG2-CB 4.26Å; V12-D54 WeakPolarHBondContact CG2-O 3.18Å; V12-D54 PolarHBondContact N-O 3.44Å; V50-D54 HydrophobicContact CG1-CB 4.26Å; D51-D54 PolarHBondContact N-OD2 3.19Å; D51-D54 VanDerWaalsContact O-CB 3.32Å; D51-D54 WeakPolarHBondContact O-CB 3.43Å; D51-D54 PolarHBondContact O-N 3.06Å; L52-D54 VanDerWaalsContact C-N 3.33Å; D54-K147 IonicContact OD2-NZ 3Å; D54-K147 PolarHBondContact OD2-NZ 3.24Å
55K92.6Very high89.9Confident48 Ų4846.1 Ų46.121%0.20925%0.246CC..EExtended strand (participates in β ladder)trans-102138.3169.2-68-172.3172.1-159.20110.4F10 D11 E33 L148 F150F10-K55 WeakPolarHBondContact O-CA 3.46Å; D11-K55 HydrophobicContact CB-CG 4.3Å; E33-K55 IonicContact OE1-NZ 2.81Å; E33-K55 PolarHBondContact OE1-NZ 3.37Å; E33-K55 IonicContact OE2-NZ 2.74Å; E33-K55 PolarHBondContact OE2-NZ 3.22Å; K55-L148 HydrophobicContact CB-CB 4.45Å; K55-L148 PolarHBondContact O-N 2.67Å; K55-F150 HydrophobicContact CB-CE2 4.44Å; K55-F150 HydrophobicContact CD-CD2 4.37Å; K55-F150 HydrophobicContact CD-CE2 3.8Å
56F92.6Very high89.2Confident1 Ų149 Ų490%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-141.2147.2177.161.7-90.4000111.5I9 F10 V12 C30 L39 L58 M145 K146I9-F56 WeakPolarHBondContact CA-O 3.34Å; F10-F56 HydrophobicContact CB-CD2 4.29Å; F10-F56 HydrophobicContact CB-CE1 3.93Å; F10-F56 HydrophobicContact CB-CE2 3.72Å; F10-F56 HydrophobicContact CB-CZ 3.52Å; F10-F56 HydrophobicContact CD2-CE2 4.27Å; F10-F56 HydrophobicContact CG-CE2 4.3Å; F10-F56 HydrophobicContact CG-CZ 4.32Å; F10-F56 PolarHBondContact N-O 3.18Å; F10-F56 PolarHBondContact O-N 2.69Å; V12-F56 HydrophobicContact CG2-CD1 3.91Å; V12-F56 HydrophobicContact CG2-CE1 3.55Å; C30-F56 HydrophobicContact CB-CE1 4.19Å; C30-F56 HydrophobicContact CB-CZ 4.01Å; C30-F56 VanDerWaalsContact SG-CZ 3.57Å; L39-F56 HydrophobicContact CD2-CE2 4.22Å; L39-F56 HydrophobicContact CD2-CZ 4.05Å; F56-L58 HydrophobicContact CD2-CB 4.07Å; F56-L58 HydrophobicContact CE2-CB 3.94Å; F56-L58 HydrophobicContact CE2-CD1 3.95Å; F56-M145 HydrophobicContact CB-CE 3.71Å; F56-M145 HydrophobicContact CB-CG 4.21Å; F56-M145 HydrophobicContact CD1-CE 3.41Å; F56-M145 VanDerWaalsContact CD1-CE 3.41Å; F56-M145 HydrophobicContact CD2-CE 3.33Å; F56-M145 HydrophobicContact CD2-CG 3.66Å; F56-M145 HydrophobicContact CD2-SD 3.99Å; F56-M145 HydrophobicContact CE1-CE 3.74Å; F56-M145 HydrophobicContact CE2-CE 3.64Å; F56-M145 HydrophobicContact CE2-CG 4.31Å; F56-M145 HydrophobicContact CE2-SD 4.19Å; F56-M145 HydrophobicContact CG-CE 3.18Å; F56-M145 HydrophobicContact CG-CG 4.16Å; F56-M145 HydrophobicContact CG-SD 4.37Å; F56-M145 HydrophobicContact CZ-CE 3.83Å; F56-K146 CarbonylContact C-O 3.55Å; F56-K146 WeakPolarHBondContact CA-O 3.11Å; F56-K146 WeakPolarHBondContact CB-O 3.29Å
57R93Very high88.3Confident94 Ų9448.1 Ų48.136%0.35526%0.258SS..EExtended strand (participates in β ladder)trans-87.1125.8169.3-176174.5172.4-159.2-1.9108.2E7 I9 V59 M145 K146 L148E7-R57 IonicContact OE1-CZ 3.19Å; E7-R57 IonicContact OE1-NE 3Å; E7-R57 PolarHBondContact OE1-NE 2.88Å; E7-R57 IonicContact OE1-NH2 2.98Å; E7-R57 PolarHBondContact OE1-NH2 2.94Å; E7-R57 IonicContact OE2-NH2 2.8Å; I9-R57 HydrophobicContact CG1-CB 4.48Å; R57-V59 HydrophobicContact CG-CG2 4.44Å; R57-M145 WeakPolarHBondContact O-CA 3.3Å; R57-K146 PolarHBondContact N-O 3.39Å; R57-K146 PolarHBondContact O-N 2.67Å; R57-L148 HydrophobicContact CB-CD2 4.38Å; R57-L148 HydrophobicContact CB-CG 4.46Å
58L92.3Very high87.2Confident0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-114.7131.9176.1-177.6149.2000109.4F6 E7 D8 F10 L39 L41 F56 I60 L143 L144F6-L58 HydrophobicContact CD1-CD2 4.09Å; F6-L58 HydrophobicContact CE1-CD2 4.23Å; E7-L58 WeakPolarHBondContact CA-O 3.43Å; D8-L58 PolarHBondContact N-O 2.88Å; D8-L58 PolarHBondContact O-N 2.84Å; D8-L58 VanDerWaalsContact O-O 3.13Å; F10-L58 HydrophobicContact CD2-CB 3.88Å; F10-L58 HydrophobicContact CE2-CB 4.13Å; F10-L58 HydrophobicContact CE2-CD2 4.3Å; L39-L58 HydrophobicContact CD2-CD1 3.71Å; L41-L58 HydrophobicContact CD2-CD1 4.41Å; F56-L58 HydrophobicContact CD2-CB 4.07Å; F56-L58 HydrophobicContact CE2-CB 3.94Å; F56-L58 HydrophobicContact CE2-CD1 3.95Å; L58-I60 HydrophobicContact CD2-CD1 3.9Å; L58-I60 HydrophobicContact CD2-CG1 3.72Å; L58-L143 HydrophobicContact CD1-CD1 3.94Å; L58-L143 HydrophobicContact CD1-CG 4.25Å; L58-L143 HydrophobicContact CG-CG 4.38Å; L58-L144 WeakPolarHBondContact CA-O 3.24Å
59V92.1Very high86.5Confident6 Ų645.9 Ų45.94%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-127.2134.1176.5179.40000108.6I4 F6 E7 R57 F88 L144I4-V59 HydrophobicContact CG1-CG1 4.43Å; I4-V59 HydrophobicContact CG2-CG1 3.99Å; F6-V59 CarbonylContact O-C 3.58Å; F6-V59 WeakPolarHBondContact O-CA 3.44Å; E7-V59 HydrophobicContact CB-CG2 4.14Å; E7-V59 HydrophobicContact CG-CG2 3.87Å; R57-V59 HydrophobicContact CG-CG2 4.44Å; V59-F88 HydrophobicContact CB-CE1 4.13Å; V59-F88 HydrophobicContact CB-CZ 4.03Å; V59-F88 HydrophobicContact CG2-CE1 3.67Å; V59-F88 HydrophobicContact CG2-CZ 3.59Å; V59-L144 HydrophobicContact CB-CB 4.37Å; V59-L144 HydrophobicContact CG1-CD1 4.45Å; V59-L144 PolarHBondContact N-O 2.9Å; V59-L144 PolarHBondContact O-N 2.63Å
60I91.3Very high85.6Confident0 Ų047.3 Ų47.30%027%0.266CS..EExtended strand (participates in β ladder)trans-113.4125.3171.8-60168.8000107.7L5 F6 L58 M123 L125 F135 V141 Y142L5-I60 HydrophobicContact CB-CG2 4.4Å; L5-I60 HydrophobicContact CD1-CG2 4.35Å; L5-I60 PolarHBondContact N-O 3.21Å; F6-I60 HydrophobicContact CB-CB 4.16Å; F6-I60 HydrophobicContact CB-CD1 4.42Å; F6-I60 HydrophobicContact CD1-CD1 4.11Å; F6-I60 PolarHBondContact N-O 3.45Å; F6-I60 VanDerWaalsContact N-O 3.14Å; F6-I60 PolarHBondContact O-N 3.19Å; L58-I60 HydrophobicContact CD2-CD1 3.9Å; L58-I60 HydrophobicContact CD2-CG1 3.72Å; I60-M123 HydrophobicContact CD1-CE 3.59Å; I60-M123 HydrophobicContact CD1-SD 4.34Å; I60-L125 HydrophobicContact CD1-CD2 4.49Å; I60-F135 HydrophobicContact CB-CZ 4.36Å; I60-F135 HydrophobicContact CD1-CE1 4Å; I60-F135 HydrophobicContact CD1-CZ 3.62Å; I60-F135 HydrophobicContact CG2-CE1 3.99Å; I60-F135 HydrophobicContact CG2-CZ 4.08Å; I60-V141 HydrophobicContact CG2-CB 3.91Å; I60-V141 HydrophobicContact CG2-CG1 4.19Å; I60-V141 HydrophobicContact CG2-CG2 4.46Å; I60-Y142 CarbonylContact C-O 3.5Å; I60-Y142 VanDerWaalsContact CA-O 3.27Å; I60-Y142 WeakPolarHBondContact CA-O 3.27Å
61A90.3Very high84.6Confident0 Ų048.6 Ų48.60%027%0.273CS..EExtended strand (participates in β ladder)trans-128148.9-178.700000110.9G3 V141 Y142 L144G3-A61 CarbonylContact O-C 3.51Å; G3-A61 WeakPolarHBondContact O-CA 3.2Å; G3-A61 WeakPolarHBondContact O-CB 3.34Å; A61-V141 WeakPolarHBondContact O-CA 3.26Å; A61-Y142 PolarHBondContact N-O 3.26Å; A61-Y142 PolarHBondContact O-N 3.26Å; A61-L144 HydrophobicContact CB-CD1 4.03Å
62S88.3Confident83.7Confident51 Ų5151.1 Ų51.136%0.35729%0.286SS..SBendtrans-81.3-20.3171.356.70000112.5G3G3-S62 WeakPolarHBondContact CA-OG 3.31Å; G3-S62 PolarHBondContact O-N 3.34Å; G3-S62 PolarHBondContact O-OG 2.49Å
63T86.3Confident82.7Confident2 Ų247.5 Ų47.51%0.01228%0.277CS..  trans-145.5146.2179.3-179.90000111.5Y65 T69 R84T63-Y65 PolarHBondContact OG1-N 2.96Å; T63-T69 VanDerWaalsContact CB-O 3.29Å; T63-T69 WeakPolarHBondContact CB-O 3.35Å; T63-T69 PolarHBondContact OG1-O 3.45Å; T63-R84 PolarHBondContact O-NH1 3.02Å
64L83.4Confident82Confident21 Ų2152.9 Ų52.911%0.1129%0.29CS..SBendtrans-81.7-21174.1-69.2176.5000112.7R84 A85 V91 Y142 L144L64-R84 WeakPolarHBondContact O-CG 3.47Å; L64-R84 PolarHBondContact O-N 2.98Å; L64-A85 HydrophobicContact CD2-CB 4.33Å; L64-V91 HydrophobicContact CD2-CG1 4.49Å; L64-Y142 HydrophobicContact CD1-CD1 3.69Å; L64-Y142 HydrophobicContact CD1-CE1 3.44Å; L64-Y142 VanDerWaalsContact CD1-CE1 3.44Å; L64-Y142 HydrophobicContact CD1-CG 4.4Å; L64-Y142 HydrophobicContact CD2-CD1 3.76Å; L64-Y142 HydrophobicContact CD2-CD2 4.44Å; L64-Y142 HydrophobicContact CD2-CE1 4.34Å; L64-Y142 HydrophobicContact CD2-CG 3.8Å; L64-Y142 HydrophobicContact CG-CD1 3.58Å; L64-Y142 HydrophobicContact CG-CD2 4.07Å; L64-Y142 HydrophobicContact CG-CE1 3.65Å; L64-Y142 HydrophobicContact CG-CE2 4.15Å; L64-Y142 HydrophobicContact CG-CG 3.79Å; L64-L144 HydrophobicContact CD2-CD2 4.15Å
65Y81.9Confident81.3Confident46 Ų4659.3 Ų59.318%0.1831%0.313CS..BIsolated β-bridgetrans-75131.9-179.6-57-69.4000110.5T63 D67 G68 T69T63-Y65 PolarHBondContact OG1-N 2.96Å; Y65-D67 WeakPolarHBondContact CB-OD1 3.41Å; Y65-D67 PolarHBondContact O-N 2.87Å; Y65-G68 PolarHBondContact O-N 3.41Å; Y65-T69 VanDerWaalsContact CB-OG1 3.3Å; Y65-T69 WeakPolarHBondContact CB-OG1 3.47Å; Y65-T69 VanDerWaalsContact CD2-OG1 3.24Å; Y65-T69 WeakPolarHBondContact CD2-OG1 3.39Å
66E75.4Confident80.6Confident100 Ų10061 Ų6147%0.46732%0.324SS..THydrogen-bonded Turntrans-67-26.5-178.5-67.3-164.7129.300113G68 R84E66-G68 PolarHBondContact O-N 3.31Å; E66-R84 HydrophobicContact CG-CG 3.84Å; E66-R84 PolarHBondContact O-NH2 2.97Å
67D71.5Confident79.7Confident109 Ų10965.8 Ų65.858%0.58336%0.355SS*.THydrogen-bonded Turntrans-73-11.7178.765.75.5000113.8Y65 T69Y65-D67 WeakPolarHBondContact CB-OD1 3.41Å; Y65-D67 PolarHBondContact O-N 2.87Å; D67-T69 VanDerWaalsContact C-N 3.35Å; D67-T69 WeakPolarHBondContact OD1-CB 3.35Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.37Å; D67-T69 PolarHBondContact OD1-N 3.26Å; D67-T69 PolarHBondContact OD1-OG1 3.34Å; D67-T69 WeakPolarHBondContact OD2-CG2 3.5Å
68G69.2Low78.9Confident28 Ų2869.8 Ų69.829%0.28938%0.378SS..  trans80.413.6-179.300000114.2Y65 E66Y65-G68 PolarHBondContact O-N 3.41Å; E66-G68 PolarHBondContact O-N 3.31Å
69T75.4Confident78.1Confident56 Ų5672.4 Ų72.434%0.34439%0.392SS..PPolyproline II helixtrans-60.2131.8172.347.40000110T63 Y65 D67T63-T69 VanDerWaalsContact CB-O 3.29Å; T63-T69 WeakPolarHBondContact CB-O 3.35Å; T63-T69 PolarHBondContact OG1-O 3.45Å; Y65-T69 VanDerWaalsContact CB-OG1 3.3Å; Y65-T69 WeakPolarHBondContact CB-OG1 3.47Å; Y65-T69 VanDerWaalsContact CD2-OG1 3.24Å; Y65-T69 WeakPolarHBondContact CD2-OG1 3.39Å; D67-T69 VanDerWaalsContact C-N 3.35Å; D67-T69 WeakPolarHBondContact OD1-CB 3.35Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.37Å; D67-T69 PolarHBondContact OD1-N 3.26Å; D67-T69 PolarHBondContact OD1-OG1 3.34Å; D67-T69 WeakPolarHBondContact OD2-CG2 3.5Å
70P70.8Confident77.1Confident109 Ų10979.9 Ų79.971%0.70843%0.432SS*.PPolyproline II helixtrans-63.7140.1176.225.3-31.3000109.4
71D70Confident76.4Confident38 Ų3886.1 Ų86.120%0.20346%0.455CS..PPolyproline II helixtrans-71.6129.5178.5-176.950.2000110.6G73 Y142D71-G73 PolarHBondContact O-N 2.95Å; D71-G73 VanDerWaalsContact OD2-CA 3.29Å; D71-G73 WeakPolarHBondContact OD2-CA 3.48Å; D71-G73 PolarHBondContact OD2-N 2.84Å; D71-G73 VanDerWaalsContact OD2-N 3.12Å; D71-Y142 PolarHBondContact OD2-OH 3.45Å
72D70.1Confident75.7Confident160 Ų16090.8 Ų90.886%0.85649%0.485SS*.  trans-75.3-0.7177.5-80.7-41.2000112.3E74D72-E74 VanDerWaalsContact C-N 3.28Å
73G68.8Low75.4Confident40 Ų4089.5 Ų89.541%0.41248%0.477SS..SBendtrans79.88.7179.900000114D71D71-G73 PolarHBondContact O-N 2.95Å; D71-G73 VanDerWaalsContact OD2-CA 3.29Å; D71-G73 WeakPolarHBondContact OD2-CA 3.48Å; D71-G73 PolarHBondContact OD2-N 2.84Å; D71-G73 VanDerWaalsContact OD2-N 3.12Å
74E75.7Confident75.1Confident159 Ų15990.5 Ų90.574%0.74348%0.48SS*.  trans-113.4105.4176.5-167.7165.6-164.600109.4D72 N76D72-E74 VanDerWaalsContact C-N 3.28Å; E74-N76 PolarHBondContact O-N 2.84Å
75Y75.7Confident75.2Confident178 Ų17890.7 Ų90.770%0.69848%0.484SS*.  trans-82.1113.4175.2179.8-108.7000109.4P77Y75-P77 HydrophobicContact CD1-CG 4.11Å; Y75-P77 HydrophobicContact CE1-CB 4.23Å; Y75-P77 HydrophobicContact CE1-CG 3.93Å; Y75-P77 WeakPolarHBondContact O-CD 3.43Å
76N78.2Confident75.3Confident84 Ų8494.1 Ų94.145%0.44951%0.506SS..  trans-100.7108.1175-173.54.7000110.5E74 Q78 D79E74-N76 PolarHBondContact O-N 2.84Å; N76-Q78 PolarHBondContact O-N 2.82Å; N76-Q78 PolarHBondContact OD1-N 2.98Å; N76-D79 HydrophobicContact CB-CB 4.22Å; N76-D79 VanDerWaalsContact O-CB 3.32Å; N76-D79 WeakPolarHBondContact O-CB 3.48Å; N76-D79 PolarHBondContact O-N 2.87Å
77P75.3Confident75.8Confident101 Ų10194.9 Ų94.966%0.65651%0.51SS*.THydrogen-bonded Turntrans-68.7-14.9-179-16.429.8000114.1Y75 D79Y75-P77 HydrophobicContact CD1-CG 4.11Å; Y75-P77 HydrophobicContact CE1-CB 4.23Å; Y75-P77 HydrophobicContact CE1-CG 3.93Å; Y75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-D79 VanDerWaalsContact C-N 3.34Å
78Q75.9Confident76.7Confident178 Ų17891.3 Ų91.383%0.83249%0.489SS*.THydrogen-bonded Turntrans-90.8-1.1178.3-63.4-166.8-19.500113N76 D80N76-Q78 PolarHBondContact O-N 2.82Å; N76-Q78 PolarHBondContact OD1-N 2.98Å; Q78-D80 PolarHBondContact O-N 3.16Å
79D75.1Confident77.7Confident55 Ų5595.1 Ų95.129%0.29450%0.499SS..  trans-75.3110.4178.6-154.1-22000109.7N76 P77 R81N76-D79 HydrophobicContact CB-CB 4.22Å; N76-D79 VanDerWaalsContact O-CB 3.32Å; N76-D79 WeakPolarHBondContact O-CB 3.48Å; N76-D79 PolarHBondContact O-N 2.87Å; P77-D79 VanDerWaalsContact C-N 3.34Å; D79-R81 VanDerWaalsContact CG-NE 3.26Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 WeakPolarHBondContact OD1-CB 3.38Å; D79-R81 WeakPolarHBondContact OD1-CG 3.25Å; D79-R81 IonicContact OD1-CZ 3.86Å; D79-R81 PolarHBondContact OD1-N 2.77Å; D79-R81 IonicContact OD1-NE 2.9Å; D79-R81 PolarHBondContact OD1-NE 3.35Å; D79-R81 IonicContact OD1-NH2 3.97Å; D79-R81 IonicContact OD2-CZ 3.11Å; D79-R81 IonicContact OD2-NE 2.9Å; D79-R81 PolarHBondContact OD2-NE 2.84Å; D79-R81 IonicContact OD2-NH2 2.63Å; D79-R81 PolarHBondContact OD2-NH2 2.79Å
80D71Confident78.5Confident163 Ų16393.2 Ų93.287%0.87249%0.486SS*.  trans-8622.3-179.9-16332000111.8Q78Q78-D80 PolarHBondContact O-N 3.16Å
81R76.9Confident79.6Confident131 Ų13190.8 Ų90.849%0.49447%0.469SS..  trans-70.9132.6175.3-82.3-175.1-87.6176.2-4.8109.3D79 S83D79-R81 VanDerWaalsContact CG-NE 3.26Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 WeakPolarHBondContact OD1-CB 3.38Å; D79-R81 WeakPolarHBondContact OD1-CG 3.25Å; D79-R81 IonicContact OD1-CZ 3.86Å; D79-R81 PolarHBondContact OD1-N 2.77Å; D79-R81 IonicContact OD1-NE 2.9Å; D79-R81 PolarHBondContact OD1-NE 3.35Å; D79-R81 IonicContact OD1-NH2 3.97Å; D79-R81 IonicContact OD2-CZ 3.11Å; D79-R81 IonicContact OD2-NE 2.9Å; D79-R81 PolarHBondContact OD2-NE 2.84Å; D79-R81 IonicContact OD2-NH2 2.63Å; D79-R81 PolarHBondContact OD2-NH2 2.79Å; R81-S83 PolarHBondContact O-N 2.8Å; R81-S83 VanDerWaalsContact O-N 3.15Å
82P75.6Confident80.7Confident97 Ų9789.6 Ų89.663%0.6346%0.462SS*.  trans-59.2123.717624.6-32.5000109
83S80.6Confident81.7Confident25 Ų2586.4 Ų86.418%0.17544%0.439CS..BIsolated β-bridgetrans-119.1157.3-17479.30000110.4R81 A85 D86R81-S83 PolarHBondContact O-N 2.8Å; R81-S83 VanDerWaalsContact O-N 3.15Å; S83-A85 PolarHBondContact O-N 3Å; S83-A85 WeakPolarHBondContact OG-CB 3.42Å; S83-A85 PolarHBondContact OG-N 3.01Å; S83-D86 PolarHBondContact N-OD2 2.83Å; S83-D86 PolarHBondContact O-N 2.98Å; S83-D86 PolarHBondContact OG-OD1 3.16Å; S83-D86 PolarHBondContact OG-OD2 2.79Å
84R81.5Confident82.9Confident23 Ų2384.8 Ų84.89%0.08742%0.422CS..G310 helixtrans-61.8-30172.1-69.6179.4179.6152.25.6112A2 T63 L64 E66 D86 Q87 F88 L144A2-R84 PolarHBondContact O-NH1 2.93Å; A2-R84 PolarHBondContact O-NH2 3.35Å; T63-R84 PolarHBondContact O-NH1 3.02Å; L64-R84 WeakPolarHBondContact O-CG 3.47Å; L64-R84 PolarHBondContact O-N 2.98Å; E66-R84 HydrophobicContact CG-CG 3.84Å; E66-R84 PolarHBondContact O-NH2 2.97Å; R84-D86 PolarHBondContact O-N 2.86Å; R84-Q87 PolarHBondContact O-N 2.81Å; R84-F88 VanDerWaalsContact O-CD2 3.23Å; R84-F88 WeakPolarHBondContact O-CD2 3.46Å; R84-L144 HydrophobicContact CB-CD2 4.02Å
85A83.7Confident83.7Confident24 Ų2481.4 Ų81.420%0.19841%0.405CS..G310 helixtrans-58.1-32.2-178.900000112.5L64 S83 Q87 F88 V91L64-A85 HydrophobicContact CD2-CB 4.33Å; S83-A85 PolarHBondContact O-N 3Å; S83-A85 WeakPolarHBondContact OG-CB 3.42Å; S83-A85 PolarHBondContact OG-N 3.01Å; A85-Q87 PolarHBondContact O-N 2.79Å; A85-Q87 VanDerWaalsContact O-N 3.08Å; A85-F88 PolarHBondContact O-N 2.99Å; A85-F88 VanDerWaalsContact O-O 3.06Å; A85-V91 HydrophobicContact CB-CG2 3.95Å
86D84.7Confident84.5Confident119 Ų11973 Ų7364%0.63637%0.372SS*.G310 helixtrans-62.9-21.6-175.5-56.8-36.1000113.5S83 R84S83-D86 PolarHBondContact N-OD2 2.83Å; S83-D86 PolarHBondContact O-N 2.98Å; S83-D86 PolarHBondContact OG-OD1 3.16Å; S83-D86 PolarHBondContact OG-OD2 2.79Å; R84-D86 PolarHBondContact O-N 2.86Å
87Q85.4Confident85.2Confident116 Ų11673.7 Ų73.754%0.54237%0.369SS..G310 helixtrans-91.2-12.3-179.6-61.117823.100113.4R84 A85 K146R84-Q87 PolarHBondContact O-N 2.81Å; A85-Q87 PolarHBondContact O-N 2.79Å; A85-Q87 VanDerWaalsContact O-N 3.08Å; Q87-K146 WeakPolarHBondContact O-CD 3.2Å; Q87-K146 PolarHBondContact O-NZ 3.25Å
88F90.1Very high85.9Confident33 Ų3372.9 Ų72.915%0.14536%0.355CS..  trans-112.3155.6-176.4-65.8-95.2000111V59 R84 A85 V91 L144 K146V59-F88 HydrophobicContact CB-CE1 4.13Å; V59-F88 HydrophobicContact CB-CZ 4.03Å; V59-F88 HydrophobicContact CG2-CE1 3.67Å; V59-F88 HydrophobicContact CG2-CZ 3.59Å; R84-F88 VanDerWaalsContact O-CD2 3.23Å; R84-F88 WeakPolarHBondContact O-CD2 3.46Å; A85-F88 PolarHBondContact O-N 2.99Å; A85-F88 VanDerWaalsContact O-O 3.06Å; F88-V91 HydrophobicContact CB-CG2 4.46Å; F88-L144 HydrophobicContact CB-CB 4Å; F88-L144 HydrophobicContact CB-CD2 4.45Å; F88-L144 HydrophobicContact CD1-CB 3.72Å; F88-L144 HydrophobicContact CD2-CB 3.8Å; F88-L144 HydrophobicContact CD2-CD2 3.57Å; F88-L144 HydrophobicContact CD2-CG 4.34Å; F88-L144 HydrophobicContact CE1-CB 4.11Å; F88-L144 HydrophobicContact CE2-CB 4.18Å; F88-L144 HydrophobicContact CE2-CD2 3.99Å; F88-L144 HydrophobicContact CG-CB 3.56Å; F88-L144 HydrophobicContact CG-CD2 4.11Å; F88-L144 HydrophobicContact CG-CG 4.5Å; F88-L144 HydrophobicContact CZ-CB 4.34Å; F88-K146 HydrophobicContact CD1-CB 3.79Å; F88-K146 HydrophobicContact CE1-CB 4.45Å
89E91.5Very high86.6Confident108 Ų10867 Ų6751%0.50533%0.329SS..SBendtrans-94.4-28.2-173.4-65.9168172.800111.8Y48 M145 K146 K147Y48-E89 HydrophobicContact CD2-CB 4.46Å; Y48-E89 HydrophobicContact CE2-CB 3.66Å; Y48-E89 PolarHBondContact OH-OE2 3.39Å; E89-M145 PolarHBondContact N-O 3.22Å; E89-K146 HydrophobicContact CG-CG 4.29Å; E89-K147 PolarHBondContact OE2-N 2.9Å
90Y92.1Very high87.1Confident17 Ų1768 Ų687%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-134.4124.7-176-170.5-103.2000110V43 N44 I47 Y48 M92 L144 M145V43-Y90 HydrophobicContact CG1-CE1 4.47Å; N44-Y90 PolarHBondContact N-OH 2.77Å; I47-Y90 HydrophobicContact CD1-CD2 4.48Å; I47-Y90 HydrophobicContact CD1-CE2 3.73Å; I47-Y90 HydrophobicContact CG1-CE2 3.96Å; Y48-Y90 HydrophobicContact CD1-CD2 4.41Å; Y48-Y90 HydrophobicContact CD1-CG 4.27Å; Y48-Y90 HydrophobicContact CD2-CD2 4.36Å; Y48-Y90 AromaticContact CG-CD2 3.88Å; Y48-Y90 HydrophobicContact CG-CD2 3.88Å; Y48-Y90 HydrophobicContact CG-CG 4.09Å; Y90-M92 HydrophobicContact CD1-CE 4.45Å; Y90-M92 HydrophobicContact CD1-CG 4.18Å; Y90-M92 HydrophobicContact CE1-CE 3.68Å; Y90-M92 HydrophobicContact CE1-CG 3.5Å; Y90-M92 VanDerWaalsContact CE1-CG 3.5Å; Y90-M92 HydrophobicContact CE1-SD 3.44Å; Y90-M92 WeakPolarHBondContact CE1-SD 3.48Å; Y90-M92 PolarHBondContact OH-SD 3.48Å; Y90-L144 CarbonylContact O-C 3.59Å; Y90-L144 WeakPolarHBondContact O-CA 3.39Å; Y90-M145 HydrophobicContact CD1-CB 4.43Å; Y90-M145 HydrophobicContact CD1-SD 4.43Å; Y90-M145 PolarHBondContact N-O 3.28Å; Y90-M145 PolarHBondContact O-N 2.91Å
91V92.6Very high87.4Confident57 Ų5761.9 Ų61.935%0.34531%0.307SS..EExtended strand (participates in β ladder)trans-129.8134.5-177.4-178.10000110L64 A85 F88 L143 L144L64-V91 HydrophobicContact CD2-CG1 4.49Å; A85-V91 HydrophobicContact CB-CG2 3.95Å; F88-V91 HydrophobicContact CB-CG2 4.46Å; V91-L143 CarbonylContact C-O 3.54Å; V91-L143 VanDerWaalsContact CA-O 3.25Å; V91-L143 WeakPolarHBondContact CA-O 3.47Å; V91-L144 HydrophobicContact CG1-CG 4.48Å; V91-L144 HydrophobicContact CG2-CD2 4.33Å; V91-L144 HydrophobicContact CG2-CG 4.31Å
92M93.4Very high86.8Confident14 Ų1458.4 Ų58.47%0.06930%0.298CS..EExtended strand (participates in β ladder)trans-130.7146.5175.6-62.5-168.8-7000110.4L41 Y90 Y118 L121 Y142 L143L41-M92 HydrophobicContact CD1-CE 3.89Å; L41-M92 HydrophobicContact CD2-CE 4.32Å; L41-M92 HydrophobicContact CG-CE 4.42Å; Y90-M92 HydrophobicContact CD1-CE 4.45Å; Y90-M92 HydrophobicContact CD1-CG 4.18Å; Y90-M92 HydrophobicContact CE1-CE 3.68Å; Y90-M92 HydrophobicContact CE1-CG 3.5Å; Y90-M92 VanDerWaalsContact CE1-CG 3.5Å; Y90-M92 HydrophobicContact CE1-SD 3.44Å; Y90-M92 WeakPolarHBondContact CE1-SD 3.48Å; Y90-M92 PolarHBondContact OH-SD 3.48Å; M92-Y118 HydrophobicContact CB-CD1 3.56Å; M92-Y118 HydrophobicContact CB-CE1 4.22Å; M92-Y118 HydrophobicContact CB-CG 3.88Å; M92-Y118 HydrophobicContact CE-CD2 4.04Å; M92-Y118 HydrophobicContact CE-CE2 4.39Å; M92-Y118 HydrophobicContact CE-CG 4.23Å; M92-Y118 HydrophobicContact SD-CG 4.3Å; M92-L121 HydrophobicContact SD-CD1 3.83Å; M92-Y142 CarbonylContact O-C 3.56Å; M92-Y142 VanDerWaalsContact O-CA 3.29Å; M92-Y142 WeakPolarHBondContact O-CA 3.29Å; M92-L143 HydrophobicContact CB-CB 4.35Å; M92-L143 HydrophobicContact CE-CB 4.47Å; M92-L143 HydrophobicContact CE-CD1 3.76Å; M92-L143 HydrophobicContact CE-CD2 3.68Å; M92-L143 HydrophobicContact CE-CG 4.18Å; M92-L143 PolarHBondContact N-O 2.9Å; M92-L143 PolarHBondContact O-N 3.15Å
93Y92.6Very high85.8Confident92 Ų9262.7 Ų62.736%0.36131%0.31SS..EExtended strand (participates in β ladder)trans-115.5132.5173.8175.3-107.8000110.1R140 Y142Y93-R140 HydrophobicContact CE2-CB 3.89Å; Y93-R140 HydrophobicContact CE2-CG 4.4Å; Y93-R140 WeakPolarHBondContact OH-CD 3.49Å; Y93-R140 VanDerWaalsContact OH-CG 3.27Å; Y93-R140 WeakPolarHBondContact OH-CG 3.2Å; Y93-R140 PolarHBondContact OH-NE 3.05Å; Y93-R140 PolarHBondContact OH-NH1 3.39Å; Y93-Y142 AromaticContact CD2-CD1 3.69Å; Y93-Y142 HydrophobicContact CD2-CD1 3.69Å; Y93-Y142 HydrophobicContact CD2-CD2 4.32Å; Y93-Y142 AromaticContact CD2-CE1 3.28Å; Y93-Y142 HydrophobicContact CD2-CE1 3.28Å; Y93-Y142 AromaticContact CD2-CE2 3.95Å; Y93-Y142 HydrophobicContact CD2-CE2 3.95Å; Y93-Y142 HydrophobicContact CD2-CG 4.2Å; Y93-Y142 AromaticContact CD2-CZ 3.42Å; Y93-Y142 VanDerWaalsContact CD2-CZ 3.42Å; Y93-Y142 AromaticContact CE2-CE1 4Å; Y93-Y142 HydrophobicContact CE2-CE1 4Å; Y93-Y142 HydrophobicContact CE2-CE2 4.01Å; Y93-Y142 AromaticContact CE2-CZ 3.64Å; Y93-Y142 HydrophobicContact CG-CD1 4.35Å; Y93-Y142 AromaticContact CG-CE1 3.97Å; Y93-Y142 HydrophobicContact CG-CE1 3.97Å
94G92.6Very high84.5Confident6 Ų667.5 Ų67.56%0.06234%0.338CS..EExtended strand (participates in β ladder)trans-156.1-178.7-17100000113.5S117 R140 V141G94-S117 CarbonylContact C-O 3.51Å; G94-S117 WeakPolarHBondContact CA-O 3.3Å; G94-R140 WeakPolarHBondContact O-CA 3.05Å; G94-V141 PolarHBondContact N-O 3.46Å; G94-V141 PolarHBondContact O-N 2.8Å
95K92.7Very high82.9Confident89 Ų8969.5 Ų69.539%0.38736%0.356SS..EExtended strand (participates in β ladder)trans-128.9136.5179.1-163.4-17573.4161.70110.6Y97 V116 S117 D138 S139K95-Y97 PolarHBondContact O-N 3.3Å; K95-V116 WeakPolarHBondContact O-CG1 3.45Å; K95-S117 PolarHBondContact N-O 2.92Å; K95-S117 PolarHBondContact O-N 3.44Å; K95-D138 HydrophobicContact CD-CB 4.49Å; K95-D138 VanDerWaalsContact CE-OD1 3.3Å; K95-D138 WeakPolarHBondContact CE-OD1 3.37Å; K95-D138 IonicContact NZ-OD1 3.72Å; K95-D138 PolarHBondContact NZ-OD1 3.08Å; K95-S139 WeakPolarHBondContact CA-O 3.08Å; K95-S139 VanDerWaalsContact CG-O 3.31Å; K95-S139 WeakPolarHBondContact CG-O 3.47Å
96V93.1Very high81.4Confident0 Ų075.7 Ų75.70%039%0.391CS..EExtended strand (participates in β ladder)trans-71.5119.6168.4-173.60000107.7I99 V116 F135 E136 D138 S139 V141V96-I99 HydrophobicContact CG1-CD1 4.12Å; V96-I99 HydrophobicContact CG1-CG1 3.85Å; V96-V116 HydrophobicContact CG2-CG2 4.11Å; V96-F135 HydrophobicContact CG2-CD1 3.94Å; V96-E136 VanDerWaalsContact CB-O 3.32Å; V96-E136 WeakPolarHBondContact CB-O 3.25Å; V96-D138 WeakPolarHBondContact O-CA 3.48Å; V96-D138 PolarHBondContact O-N 3.34Å; V96-S139 WeakPolarHBondContact CG2-OG 3.44Å; V96-S139 PolarHBondContact N-O 3.42Å; V96-V141 HydrophobicContact CG2-CG1 4.03Å; V96-V141 HydrophobicContact CG2-CG2 4.19Å
97Y93.4Very high79.5Confident99 Ų9978.5 Ų78.539%0.38840%0.401SS..EExtended strand (participates in β ladder)trans-111.2-22.9-17575.4-91000113.3K95 Y115 L122K95-Y97 PolarHBondContact O-N 3.3Å; Y97-Y115 WeakPolarHBondContact CD1-O 3.48Å; Y97-Y115 VanDerWaalsContact CE1-CB 3.42Å; Y97-Y115 VanDerWaalsContact CZ-CB 3.43Å; Y97-Y115 PolarHBondContact N-O 2.9Å; Y97-Y115 WeakPolarHBondContact OH-CB 3.48Å; Y97-L122 HydrophobicContact CE1-CD2 4.32Å
98K90.2Very high77.7Confident85 Ų8576.3 Ų76.337%0.3740%0.402SS..EExtended strand (participates in β ladder)trans-148.2137.7178.9-174.1-174.7-175.6-152.90109.2E100 Y115K98-E100 IonicContact NZ-OE1 2.89Å; K98-E100 PolarHBondContact NZ-OE1 3.04Å; K98-E100 IonicContact NZ-OE2 2.69Å; K98-E100 PolarHBondContact NZ-OE2 3.22Å; K98-Y115 HydrophobicContact CB-CD2 4Å; K98-Y115 HydrophobicContact CB-CG 4.38Å; K98-Y115 HydrophobicContact CD-CD2 4.05Å; K98-Y115 HydrophobicContact CD-CE2 4.16Å; K98-Y115 HydrophobicContact CG-CD2 4.06Å; K98-Y115 WeakPolarHBondContact O-CB 3.27Å; K98-Y115 PolarHBondContact O-N 2.94Å
99I89Confident76Confident54 Ų5478.2 Ų78.228%0.27742%0.424SS..EExtended strand (participates in β ladder)trans-124.6132.1166.6-57.5174.2000105.8V96 L112 S113 F135 V137V96-I99 HydrophobicContact CG1-CD1 4.12Å; V96-I99 HydrophobicContact CG1-CG1 3.85Å; I99-L112 HydrophobicContact CG2-CD2 4.2Å; I99-S113 WeakPolarHBondContact CA-O 3.29Å; I99-F135 HydrophobicContact CD1-CB 4Å; I99-F135 WeakPolarHBondContact CD1-O 3.23Å; I99-V137 HydrophobicContact CB-CG2 4.3Å; I99-V137 HydrophobicContact CD1-CG2 3.95Å; I99-V137 HydrophobicContact CG1-CG2 3.95Å
100E86.4Confident74.9Confident77 Ų7776.7 Ų76.736%0.3642%0.422SS..EExtended strand (participates in β ladder)trans-126.6124.5-175.8-171.4163-143.100108.6K98 S113 Y115K98-E100 IonicContact NZ-OE1 2.89Å; K98-E100 PolarHBondContact NZ-OE1 3.04Å; K98-E100 IonicContact NZ-OE2 2.69Å; K98-E100 PolarHBondContact NZ-OE2 3.22Å; E100-S113 PolarHBondContact N-O 3.28Å; E100-S113 PolarHBondContact O-N 2.72Å; E100-Y115 HydrophobicContact CB-CE2 3.99Å; E100-Y115 WeakPolarHBondContact OE2-CE2 3.42Å; E100-Y115 PolarHBondContact OE2-OH 3.23Å; E100-Y115 VanDerWaalsContact OE2-OH 3.06Å
101G77.2Confident74.2Confident34 Ų3480.3 Ų80.335%0.35144%0.436SS..EExtended strand (participates in β ladder)trans-86.1141.9168.200000109.9E103G101-E103 VanDerWaalsContact C-N 3.28Å; G101-E103 PolarHBondContact O-N 2.58Å
102D64.9Low73.9Confident57 Ų5779.8 Ų79.831%0.30543%0.431SS..  trans-72.287.9170-164.6-0.2000108.9T104 R111D102-T104 PolarHBondContact O-N 2.75Å; D102-T104 WeakPolarHBondContact OD1-CB 3.4Å; D102-T104 PolarHBondContact OD1-N 3.32Å; D102-T104 PolarHBondContact OD1-OG1 2.77Å; D102-R111 HydrophobicContact CB-CB 4.46Å; D102-R111 PolarHBondContact N-O 3.14Å; D102-R111 VanDerWaalsContact N-O 3.16Å
103E54.2Low73.7Confident188 Ų18879.8 Ų79.888%0.87943%0.432SS*.THydrogen-bonded Turntrans-74.9-3.7177.2-67.4-172.112500112.5G101 S105G101-E103 VanDerWaalsContact C-N 3.28Å; G101-E103 PolarHBondContact O-N 2.58Å; E103-S105 VanDerWaalsContact C-N 3.3Å; E103-S105 PolarHBondContact O-N 2.91Å
104T54.2Low73.6Confident125 Ų12575.4 Ų75.477%0.76742%0.415SS*.THydrogen-bonded Turntrans-78.7-8-172.7-4.10000114.6D102D102-T104 PolarHBondContact O-N 2.75Å; D102-T104 WeakPolarHBondContact OD1-CB 3.4Å; D102-T104 PolarHBondContact OD1-N 3.32Å; D102-T104 PolarHBondContact OD1-OG1 2.77Å
105S48.1Very low73.7Confident66 Ų6677 Ų7746%0.46242%0.42SS..  trans-118.8109.8179.8-63.60000111.6E103 E107E103-S105 VanDerWaalsContact C-N 3.3Å; E103-S105 PolarHBondContact O-N 2.91Å; S105-E107 PolarHBondContact O-N 2.83Å
106T51.1Low73.8Confident153 Ų15372.8 Ų72.894%0.93940%0.401SS*.SBendtrans-64.8-2.5178.4-31.70000113.9
107E45.3Very low73.9Confident179 Ų17974.4 Ų74.484%0.83641%0.412SS*.SBendtrans-130.4106.2173.7-64.1-165.2103.700108.5S105S105-E107 PolarHBondContact O-N 2.83Å
108A48.2Very low73.9Confident70 Ų7070.3 Ų70.358%0.57940%0.396SS*.  trans65.988.6178.800000115.5T110A108-T110 HydrophobicContact CB-CG2 4Å; A108-T110 PolarHBondContact O-N 2.91Å; A108-T110 PolarHBondContact O-OG1 2.79Å
109A53.7Low73.9Confident72 Ų7270.3 Ų70.360%0.59542%0.421SS*.  trans-66.863.8158.600000110.4
110T69.1Low74Confident77 Ų7770.3 Ų70.347%0.47243%0.434SS..  trans-87.9-20-178.837.20000112.7A108 D128 A129A108-T110 HydrophobicContact CB-CG2 4Å; A108-T110 PolarHBondContact O-N 2.91Å; A108-T110 PolarHBondContact O-OG1 2.79Å; T110-D128 CarbonylContact O-C 3.53Å; T110-D128 VanDerWaalsContact O-CA 3.25Å; T110-D128 WeakPolarHBondContact O-CA 3.49Å; T110-A129 PolarHBondContact O-N 3.05Å
111R75.9Confident74.3Confident93 Ų9368.4 Ų68.435%0.35143%0.426SS..EExtended strand (participates in β ladder)trans-95.7125.9178.3-78.6-176.6160.7-158.1-12.8112.2K36 D102 G127K36-R111 PolarHBondContact O-NH2 2.69Å; D102-R111 HydrophobicContact CB-CB 4.46Å; D102-R111 PolarHBondContact N-O 3.14Å; D102-R111 VanDerWaalsContact N-O 3.16Å; R111-G127 CarbonylContact C-O 3.57Å; R111-G127 WeakPolarHBondContact CA-O 3.18Å
112L86.6Confident75.1Confident46 Ų4670.1 Ų70.124%0.24143%0.427CS..EExtended strand (participates in β ladder)trans-114145.3173.3-78.8169.2000109.7I99 Q126 G127 A129 L132I99-L112 HydrophobicContact CG2-CD2 4.2Å; L112-Q126 WeakPolarHBondContact O-CA 3.32Å; L112-G127 PolarHBondContact N-O 3.32Å; L112-G127 PolarHBondContact O-N 2.81Å; L112-A129 HydrophobicContact CD1-CB 3.43Å; L112-A129 VanDerWaalsContact CD1-CB 3.43Å; L112-A129 HydrophobicContact CG-CB 3.99Å; L112-L132 HydrophobicContact CB-CD2 3.99Å
113S89.3Confident76.5Confident14 Ų1467.5 Ų67.510%0.09841%0.413CS..EExtended strand (participates in β ladder)trans-116.5112.3171.2-60.60000109.5I99 E100 L125 Q126I99-S113 WeakPolarHBondContact CA-O 3.29Å; E100-S113 PolarHBondContact N-O 3.28Å; E100-S113 PolarHBondContact O-N 2.72Å; S113-L125 CarbonylContact C-O 3.5Å; S113-L125 WeakPolarHBondContact CA-O 3.47Å; S113-Q126 WeakPolarHBondContact OG-CG 3.3Å
114A91.3Very high78.4Confident0 Ų062.5 Ų62.50%039%0.386CS..EExtended strand (participates in β ladder)trans-94.9133.1172.200000110.3R124 L125 L132 F135A114-R124 WeakPolarHBondContact O-CA 3.34Å; A114-L125 PolarHBondContact N-O 2.91Å; A114-L125 PolarHBondContact O-N 3.16Å; A114-L132 HydrophobicContact CB-CD2 3.71Å; A114-F135 HydrophobicContact CB-CB 4.44Å; A114-F135 HydrophobicContact CB-CD1 4.29Å; A114-F135 HydrophobicContact CB-CG 4.22Å
115Y93.6Very high80.1Confident40 Ų4056.6 Ų56.616%0.15735%0.349CS..EExtended strand (participates in β ladder)trans-114.2127.1175.9-58.2-97.5000110.6Y97 K98 E100 M123 R124Y97-Y115 WeakPolarHBondContact CD1-O 3.48Å; Y97-Y115 VanDerWaalsContact CE1-CB 3.42Å; Y97-Y115 VanDerWaalsContact CZ-CB 3.43Å; Y97-Y115 PolarHBondContact N-O 2.9Å; Y97-Y115 WeakPolarHBondContact OH-CB 3.48Å; K98-Y115 HydrophobicContact CB-CD2 4Å; K98-Y115 HydrophobicContact CB-CG 4.38Å; K98-Y115 HydrophobicContact CD-CD2 4.05Å; K98-Y115 HydrophobicContact CD-CE2 4.16Å; K98-Y115 HydrophobicContact CG-CD2 4.06Å; K98-Y115 WeakPolarHBondContact O-CB 3.27Å; K98-Y115 PolarHBondContact O-N 2.94Å; E100-Y115 HydrophobicContact CB-CE2 3.99Å; E100-Y115 WeakPolarHBondContact OE2-CE2 3.42Å; E100-Y115 PolarHBondContact OE2-OH 3.23Å; E100-Y115 VanDerWaalsContact OE2-OH 3.06Å; Y115-M123 VanDerWaalsContact CA-O 3.31Å; Y115-M123 WeakPolarHBondContact CA-O 3.31Å; Y115-R124 HydrophobicContact CD1-CB 3.96Å; Y115-R124 HydrophobicContact CD1-CG 3.82Å; Y115-R124 HydrophobicContact CE1-CB 4.03Å; Y115-R124 VanDerWaalsContact CE1-CD 3.42Å; Y115-R124 HydrophobicContact CE1-CG 3.51Å
116V94.8Very high82.1Confident0 Ų055.2 Ų55.20%034%0.336CS..EExtended strand (participates in β ladder)trans-124142.5-177.4-165.40000109.3K95 V96 Y118 M123 V141K95-V116 WeakPolarHBondContact O-CG1 3.45Å; V96-V116 HydrophobicContact CG2-CG2 4.11Å; V116-Y118 HydrophobicContact CB-CE2 3.98Å; V116-Y118 HydrophobicContact CG1-CD2 4.44Å; V116-Y118 HydrophobicContact CG1-CE1 4.02Å; V116-Y118 HydrophobicContact CG1-CE2 3.8Å; V116-M123 HydrophobicContact CB-CB 4.15Å; V116-M123 HydrophobicContact CB-SD 4.36Å; V116-M123 HydrophobicContact CG2-SD 4.29Å; V116-M123 PolarHBondContact N-O 2.88Å; V116-M123 PolarHBondContact O-N 3.2Å; V116-V141 HydrophobicContact CG1-CG2 3.51Å
117S94.9Very high83.8Confident34 Ų3448 Ų4824%0.23829%0.292CS..EExtended strand (participates in β ladder)trans-119.5119.9174.7-178.60000110.4G94 K95 G120G94-S117 CarbonylContact C-O 3.51Å; G94-S117 WeakPolarHBondContact CA-O 3.3Å; K95-S117 PolarHBondContact N-O 2.92Å; K95-S117 PolarHBondContact O-N 3.44Å; S117-G120 PolarHBondContact OG-N 2.95Å
118Y94.2Very high85.6Confident12 Ų1242.6 Ų42.65%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-100.869.9176.9-58.4-81.8000109.5L41 M92 V116 G120 L121 M123 V141 L143L41-Y118 HydrophobicContact CD1-CE2 4.34Å; M92-Y118 HydrophobicContact CB-CD1 3.56Å; M92-Y118 HydrophobicContact CB-CE1 4.22Å; M92-Y118 HydrophobicContact CB-CG 3.88Å; M92-Y118 HydrophobicContact CE-CD2 4.04Å; M92-Y118 HydrophobicContact CE-CE2 4.39Å; M92-Y118 HydrophobicContact CE-CG 4.23Å; M92-Y118 HydrophobicContact SD-CG 4.3Å; V116-Y118 HydrophobicContact CB-CE2 3.98Å; V116-Y118 HydrophobicContact CG1-CD2 4.44Å; V116-Y118 HydrophobicContact CG1-CE1 4.02Å; V116-Y118 HydrophobicContact CG1-CE2 3.8Å; Y118-G120 VanDerWaalsContact C-N 3.28Å; Y118-G120 PolarHBondContact O-N 2.94Å; Y118-L121 PolarHBondContact N-O 3.22Å; Y118-L121 PolarHBondContact O-N 3.22Å; Y118-M123 HydrophobicContact CD2-CB 4.31Å; Y118-M123 HydrophobicContact CE2-CB 3.72Å; Y118-M123 HydrophobicContact CE2-CG 4.35Å; Y118-M123 HydrophobicContact CE2-SD 3.73Å; Y118-M123 PolarHBondContact OH-SD 2.65Å; Y118-M123 VanDerWaalsContact OH-SD 3.39Å; Y118-V141 HydrophobicContact CE1-CG2 4.33Å; Y118-L143 HydrophobicContact CD1-CB 4.47Å; Y118-L143 HydrophobicContact CE1-CB 3.61Å; Y118-L143 HydrophobicContact CE2-CB 4.4Å; Y118-L143 HydrophobicContact CE2-CD1 3.89Å; Y118-L143 WeakPolarHBondContact OH-CB 3.05Å
119G89.8Confident87Confident86 Ų8640.8 Ų40.889%0.88725%0.254SS*.THydrogen-bonded Turntrans65.627.7-179.900000114.5
120G90.4Very high88.1Confident53 Ų5343.9 Ų43.955%0.54626%0.26SS..THydrogen-bonded Turntrans111.7-17.6-178.100000114.2S117 Y118S117-G120 PolarHBondContact OG-N 2.95Å; Y118-G120 VanDerWaalsContact C-N 3.28Å; Y118-G120 PolarHBondContact O-N 2.94Å
121L92.7Very high88.3Confident38 Ų3842.2 Ų42.220%0.19925%0.248CC..EExtended strand (participates in β ladder)trans-78.4120.3167.4-62.2174.9000109V25 D42 M92 Y118V25-L121 HydrophobicContact CB-CD2 4.47Å; V25-L121 HydrophobicContact CG1-CD2 3.59Å; V25-L121 HydrophobicContact CG2-CD2 3.98Å; D42-L121 HydrophobicContact CB-CB 4.02Å; D42-L121 HydrophobicContact CB-CD2 3.87Å; M92-L121 HydrophobicContact SD-CD1 3.83Å; Y118-L121 PolarHBondContact N-O 3.22Å; Y118-L121 PolarHBondContact O-N 3.22Å
122L94.1Very high88.3Confident69 Ų6938.2 Ų38.236%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-92.2144.8-174.6-60178.3000111.1D42 Y97D42-L122 PolarHBondContact N-O 3.07Å; D42-L122 PolarHBondContact OD2-N 2.99Å; D42-L122 VanDerWaalsContact OD2-N 3.08Å; Y97-L122 HydrophobicContact CE1-CD2 4.32Å
123M94.9Very high87.5Confident3 Ų343 Ų432%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-129.3140171.7177.5-173.3171.800109.5L39 I40 L41 I60 Y115 V116 Y118 L125 L143L39-M123 HydrophobicContact CD1-CE 3.38Å; L39-M123 HydrophobicContact CD1-CG 3.87Å; L39-M123 HydrophobicContact CD1-SD 4.32Å; I40-M123 CarbonylContact O-C 3.56Å; I40-M123 VanDerWaalsContact O-CA 3.23Å; I40-M123 WeakPolarHBondContact O-CA 3.46Å; L41-M123 HydrophobicContact CD1-CB 3.68Å; L41-M123 HydrophobicContact CD1-CG 3.83Å; L41-M123 HydrophobicContact CD1-SD 4.23Å; I60-M123 HydrophobicContact CD1-CE 3.59Å; I60-M123 HydrophobicContact CD1-SD 4.34Å; Y115-M123 VanDerWaalsContact CA-O 3.31Å; Y115-M123 WeakPolarHBondContact CA-O 3.31Å; V116-M123 HydrophobicContact CB-CB 4.15Å; V116-M123 HydrophobicContact CB-SD 4.36Å; V116-M123 HydrophobicContact CG2-SD 4.29Å; V116-M123 PolarHBondContact N-O 2.88Å; V116-M123 PolarHBondContact O-N 3.2Å; Y118-M123 HydrophobicContact CD2-CB 4.31Å; Y118-M123 HydrophobicContact CE2-CB 3.72Å; Y118-M123 HydrophobicContact CE2-CG 4.35Å; Y118-M123 HydrophobicContact CE2-SD 3.73Å; Y118-M123 PolarHBondContact OH-SD 2.65Å; Y118-M123 VanDerWaalsContact OH-SD 3.39Å; M123-L125 HydrophobicContact CE-CB 3.81Å; M123-L125 HydrophobicContact CE-CD2 4.34Å; M123-L125 HydrophobicContact CE-CG 4.47Å; M123-L143 HydrophobicContact SD-CD1 3.89Å
124R93.5Very high86.6Confident82 Ų8243.9 Ų43.931%0.30927%0.266SS..EExtended strand (participates in β ladder)trans-127.6120.1167.3-174.4-176.576.6178.57.4108.7L39 I40 A114 Y115L39-R124 WeakPolarHBondContact CA-O 3.36Å; I40-R124 HydrophobicContact CB-CB 4.28Å; I40-R124 VanDerWaalsContact CD1-NH2 3.26Å; I40-R124 PolarHBondContact N-O 3.09Å; I40-R124 PolarHBondContact O-N 3.17Å; A114-R124 WeakPolarHBondContact O-CA 3.34Å; Y115-R124 HydrophobicContact CD1-CB 3.96Å; Y115-R124 HydrophobicContact CD1-CG 3.82Å; Y115-R124 HydrophobicContact CE1-CB 4.03Å; Y115-R124 VanDerWaalsContact CE1-CD 3.42Å; Y115-R124 HydrophobicContact CE1-CG 3.51Å
125L91.7Very high86.2Confident1 Ų144.7 Ų44.71%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-111.2118.8172.2-177.265000108.8F6 F10 M37 L39 I60 S113 A114 M123 F135F6-L125 HydrophobicContact CD1-CD2 4.13Å; F6-L125 HydrophobicContact CE1-CD1 4.44Å; F6-L125 HydrophobicContact CE1-CD2 4.07Å; F6-L125 HydrophobicContact CG-CD2 4.36Å; F6-L125 HydrophobicContact CZ-CD1 4.5Å; F6-L125 HydrophobicContact CZ-CD2 4.29Å; F10-L125 HydrophobicContact CE1-CD1 4.33Å; F10-L125 HydrophobicContact CZ-CD1 3.91Å; M37-L125 HydrophobicContact CB-CD1 4.49Å; M37-L125 HydrophobicContact SD-CD1 4.37Å; L39-L125 HydrophobicContact CB-CD1 4.43Å; L39-L125 HydrophobicContact CD1-CD1 4.26Å; I60-L125 HydrophobicContact CD1-CD2 4.49Å; S113-L125 CarbonylContact C-O 3.5Å; S113-L125 WeakPolarHBondContact CA-O 3.47Å; A114-L125 PolarHBondContact N-O 2.91Å; A114-L125 PolarHBondContact O-N 3.16Å; M123-L125 HydrophobicContact CE-CB 3.81Å; M123-L125 HydrophobicContact CE-CD2 4.34Å; M123-L125 HydrophobicContact CE-CG 4.47Å; L125-F135 HydrophobicContact CD2-CE2 4.31Å; L125-F135 HydrophobicContact CD2-CZ 4.2Å
126Q89.9Confident85.8Confident38 Ų3849.5 Ų49.518%0.17829%0.294CS..EExtended strand (participates in β ladder)trans-115.4126177.9-176.5172.91.500109.6M37 D38 L112 S113M37-Q126 VanDerWaalsContact CA-O 3.26Å; M37-Q126 WeakPolarHBondContact CA-O 3.34Å; M37-Q126 WeakPolarHBondContact CB-O 3.28Å; D38-Q126 HydrophobicContact CB-CB 4.39Å; D38-Q126 PolarHBondContact N-O 2.97Å; D38-Q126 PolarHBondContact O-N 2.89Å; L112-Q126 WeakPolarHBondContact O-CA 3.32Å; S113-Q126 WeakPolarHBondContact OG-CG 3.3Å
127G86.7Confident85.4Confident1 Ų153.3 Ų53.31%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-169.3-176.7-17600000112.8R111 L112R111-G127 CarbonylContact C-O 3.57Å; R111-G127 WeakPolarHBondContact CA-O 3.18Å; L112-G127 PolarHBondContact N-O 3.32Å; L112-G127 PolarHBondContact O-N 2.81Å
128D83Confident85.1Confident66 Ų6656.7 Ų56.735%0.35333%0.332SS..EExtended strand (participates in β ladder)trans-69.8144.3176.8-73.8-44.1000112T110 N130 N131 L132T110-D128 CarbonylContact O-C 3.53Å; T110-D128 VanDerWaalsContact O-CA 3.25Å; T110-D128 WeakPolarHBondContact O-CA 3.49Å; D128-N130 PolarHBondContact O-N 3.35Å; D128-N130 VanDerWaalsContact O-N 3.15Å; D128-N131 PolarHBondContact O-N 3.15Å; D128-L132 WeakPolarHBondContact O-CD1 3.32Å; D128-L132 PolarHBondContact O-N 3.27Å
129A76.6Confident84.8Confident32 Ų3257.4 Ų57.426%0.26434%0.339SS..G310 helixtrans-60.4-30.9-173.300000113.9T110 L112 N131 L132 H133T110-A129 PolarHBondContact O-N 3.05Å; L112-A129 HydrophobicContact CD1-CB 3.43Å; L112-A129 VanDerWaalsContact CD1-CB 3.43Å; L112-A129 HydrophobicContact CG-CB 3.99Å; A129-N131 PolarHBondContact O-N 3.2Å; A129-L132 PolarHBondContact O-N 3.19Å; A129-H133 PolarHBondContact O-N 3.31Å
130N76.8Confident84.8Confident136 Ų13660 Ų6073%0.72732%0.322SS*.G310 helixtrans-62.2-28.9175.9-67-29.7000112.6D128 H133D128-N130 PolarHBondContact O-N 3.35Å; D128-N130 VanDerWaalsContact O-N 3.15Å; N130-H133 PolarHBondContact O-ND1 2.9Å
131N73.3Confident84.9Confident42 Ų4257.4 Ų57.423%0.22530%0.296CS..G310 helixtrans-91.3-13.6-178.3-64.1-24.5000112.5M37 D128 A129M37-N131 HydrophobicContact CE-CB 3.14Å; M37-N131 VanDerWaalsContact CE-CG 3.5Å; M37-N131 WeakPolarHBondContact CE-ND2 3.42Å; D128-N131 PolarHBondContact O-N 3.15Å; A129-N131 PolarHBondContact O-N 3.2Å
132L76.4Confident84.8Confident9 Ų956.3 Ų56.35%0.04729%0.289CS..G310 helixtrans-99.714.7175.7-78.580.3000112.2L112 A114 D128 A129 G134 F135L112-L132 HydrophobicContact CB-CD2 3.99Å; A114-L132 HydrophobicContact CB-CD2 3.71Å; D128-L132 WeakPolarHBondContact O-CD1 3.32Å; D128-L132 PolarHBondContact O-N 3.27Å; A129-L132 PolarHBondContact O-N 3.19Å; L132-G134 PolarHBondContact O-N 3.19Å; L132-F135 HydrophobicContact CB-CD2 3.97Å; L132-F135 HydrophobicContact CG-CD2 4.06Å; L132-F135 HydrophobicContact CG-CE2 4.29Å; L132-F135 PolarHBondContact O-N 2.86Å
133H68.8Low84.8Confident146 Ų14653 Ų5368%0.67627%0.272SS*.THydrogen-bonded Turntrans-66.895.8177.278.8-76.2000110.1A129 N130A129-H133 PolarHBondContact O-N 3.31Å; N130-H133 PolarHBondContact O-ND1 2.9Å
134G72.2Confident84.7Confident34 Ų3452.9 Ų52.935%0.35127%0.271SS..THydrogen-bonded Turntrans137-10-177.900000114.4L132 E136L132-G134 PolarHBondContact O-N 3.19Å; G134-E136 PolarHBondContact O-N 3.43Å
135F81.6Confident84.7Confident17 Ų1749 Ų498%0.07526%0.256CS..  trans-78.4118.4165.1-68.4-86.1000109.3F6 I60 V96 I99 A114 L125 L132F6-F135 HydrophobicContact CB-CE2 4.09Å; F6-F135 HydrophobicContact CB-CZ 4.1Å; I60-F135 HydrophobicContact CB-CZ 4.36Å; I60-F135 HydrophobicContact CD1-CE1 4Å; I60-F135 HydrophobicContact CD1-CZ 3.62Å; I60-F135 HydrophobicContact CG2-CE1 3.99Å; I60-F135 HydrophobicContact CG2-CZ 4.08Å; V96-F135 HydrophobicContact CG2-CD1 3.94Å; I99-F135 HydrophobicContact CD1-CB 4Å; I99-F135 WeakPolarHBondContact CD1-O 3.23Å; A114-F135 HydrophobicContact CB-CB 4.44Å; A114-F135 HydrophobicContact CB-CD1 4.29Å; A114-F135 HydrophobicContact CB-CG 4.22Å; L125-F135 HydrophobicContact CD2-CE2 4.31Å; L125-F135 HydrophobicContact CD2-CZ 4.2Å; L132-F135 HydrophobicContact CB-CD2 3.97Å; L132-F135 HydrophobicContact CG-CD2 4.06Å; L132-F135 HydrophobicContact CG-CE2 4.29Å; L132-F135 PolarHBondContact O-N 2.86Å
136E85.2Confident84.8Confident141 Ų14152.8 Ų52.866%0.65927%0.273SS*.  trans-119144.5173-67.4-176169.400108.8V96 G134 S139V96-E136 VanDerWaalsContact CB-O 3.32Å; V96-E136 WeakPolarHBondContact CB-O 3.25Å; G134-E136 PolarHBondContact O-N 3.43Å; E136-S139 VanDerWaalsContact O-CB 3.3Å; E136-S139 WeakPolarHBondContact O-CB 3.35Å; E136-S139 PolarHBondContact O-N 2.89Å; E136-S139 PolarHBondContact O-OG 3.12Å
137V87.8Confident84.8Confident80 Ų8053.5 Ų53.549%0.48528%0.275SS..THydrogen-bonded Turntrans-63.6142.5174.8-178.90000109I99 S139I99-V137 HydrophobicContact CB-CG2 4.3Å; I99-V137 HydrophobicContact CD1-CG2 3.95Å; I99-V137 HydrophobicContact CG1-CG2 3.95Å; V137-S139 PolarHBondContact O-N 3.42Å
138D87.9Confident84.9Confident105 Ų10556 Ų5656%0.56129%0.289SS*.THydrogen-bonded Turntrans66.84.5-174.6-69.7-36.4000115.6K95 V96K95-D138 HydrophobicContact CD-CB 4.49Å; K95-D138 VanDerWaalsContact CE-OD1 3.3Å; K95-D138 WeakPolarHBondContact CE-OD1 3.37Å; K95-D138 IonicContact NZ-OD1 3.72Å; K95-D138 PolarHBondContact NZ-OD1 3.08Å; V96-D138 WeakPolarHBondContact O-CA 3.48Å; V96-D138 PolarHBondContact O-N 3.34Å
139S87.4Confident84.3Confident26 Ų2658 Ų5818%0.18231%0.313CS..  trans-73.6143.5172.8830000111.8K95 V96 E136 V137K95-S139 WeakPolarHBondContact CA-O 3.08Å; K95-S139 VanDerWaalsContact CG-O 3.31Å; K95-S139 WeakPolarHBondContact CG-O 3.47Å; V96-S139 WeakPolarHBondContact CG2-OG 3.44Å; V96-S139 PolarHBondContact N-O 3.42Å; E136-S139 VanDerWaalsContact O-CB 3.3Å; E136-S139 WeakPolarHBondContact O-CB 3.35Å; E136-S139 PolarHBondContact O-N 2.89Å; E136-S139 PolarHBondContact O-OG 3.12Å; V137-S139 PolarHBondContact O-N 3.42Å
140R90.1Very high83.2Confident140 Ų14067.5 Ų67.553%0.52835%0.349SS..EExtended strand (participates in β ladder)trans-90.1132.9175.8-69.3158.1171.1-152.58.9108.8Y93 G94Y93-R140 HydrophobicContact CE2-CB 3.89Å; Y93-R140 HydrophobicContact CE2-CG 4.4Å; Y93-R140 WeakPolarHBondContact OH-CD 3.49Å; Y93-R140 VanDerWaalsContact OH-CG 3.27Å; Y93-R140 WeakPolarHBondContact OH-CG 3.2Å; Y93-R140 PolarHBondContact OH-NE 3.05Å; Y93-R140 PolarHBondContact OH-NH1 3.39Å; G94-R140 WeakPolarHBondContact O-CA 3.05Å
141V92Very high83.5Confident0 Ų064.1 Ų64.10%033%0.33CS..EExtended strand (participates in β ladder)trans-137.3145.7-176-640000111L5 I60 A61 G94 V96 V116 Y118L5-V141 HydrophobicContact CD1-CG1 3.74Å; I60-V141 HydrophobicContact CG2-CB 3.91Å; I60-V141 HydrophobicContact CG2-CG1 4.19Å; I60-V141 HydrophobicContact CG2-CG2 4.46Å; A61-V141 WeakPolarHBondContact O-CA 3.26Å; G94-V141 PolarHBondContact N-O 3.46Å; G94-V141 PolarHBondContact O-N 2.8Å; V96-V141 HydrophobicContact CG2-CG1 4.03Å; V96-V141 HydrophobicContact CG2-CG2 4.19Å; V116-V141 HydrophobicContact CG1-CG2 3.51Å; Y118-V141 HydrophobicContact CE1-CG2 4.33Å
142Y91.6Very high84Confident14 Ų1465.2 Ų65.26%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-101.6130169.9-62.4-89.3000108.6I60 A61 L64 D71 M92 Y93I60-Y142 CarbonylContact C-O 3.5Å; I60-Y142 VanDerWaalsContact CA-O 3.27Å; I60-Y142 WeakPolarHBondContact CA-O 3.27Å; A61-Y142 PolarHBondContact N-O 3.26Å; A61-Y142 PolarHBondContact O-N 3.26Å; L64-Y142 HydrophobicContact CD1-CD1 3.69Å; L64-Y142 HydrophobicContact CD1-CE1 3.44Å; L64-Y142 VanDerWaalsContact CD1-CE1 3.44Å; L64-Y142 HydrophobicContact CD1-CG 4.4Å; L64-Y142 HydrophobicContact CD2-CD1 3.76Å; L64-Y142 HydrophobicContact CD2-CD2 4.44Å; L64-Y142 HydrophobicContact CD2-CE1 4.34Å; L64-Y142 HydrophobicContact CD2-CG 3.8Å; L64-Y142 HydrophobicContact CG-CD1 3.58Å; L64-Y142 HydrophobicContact CG-CD2 4.07Å; L64-Y142 HydrophobicContact CG-CE1 3.65Å; L64-Y142 HydrophobicContact CG-CE2 4.15Å; L64-Y142 HydrophobicContact CG-CG 3.79Å; D71-Y142 PolarHBondContact OD2-OH 3.45Å; M92-Y142 CarbonylContact O-C 3.56Å; M92-Y142 VanDerWaalsContact O-CA 3.29Å; M92-Y142 WeakPolarHBondContact O-CA 3.29Å; Y93-Y142 AromaticContact CD2-CD1 3.69Å; Y93-Y142 HydrophobicContact CD2-CD1 3.69Å; Y93-Y142 HydrophobicContact CD2-CD2 4.32Å; Y93-Y142 AromaticContact CD2-CE1 3.28Å; Y93-Y142 HydrophobicContact CD2-CE1 3.28Å; Y93-Y142 AromaticContact CD2-CE2 3.95Å; Y93-Y142 HydrophobicContact CD2-CE2 3.95Å; Y93-Y142 HydrophobicContact CD2-CG 4.2Å; Y93-Y142 AromaticContact CD2-CZ 3.42Å; Y93-Y142 VanDerWaalsContact CD2-CZ 3.42Å; Y93-Y142 AromaticContact CE2-CE1 4Å; Y93-Y142 HydrophobicContact CE2-CE1 4Å; Y93-Y142 HydrophobicContact CE2-CE2 4.01Å; Y93-Y142 AromaticContact CE2-CZ 3.64Å; Y93-Y142 HydrophobicContact CG-CD1 4.35Å; Y93-Y142 AromaticContact CG-CE1 3.97Å; Y93-Y142 HydrophobicContact CG-CE1 3.97Å
143L93.1Very high84.5Confident0 Ų068.3 Ų68.30%035%0.352CS..EExtended strand (participates in β ladder)trans-99.1127166.2178.4156.7000107.8L41 L58 V91 M92 Y118 M123 M145L41-L143 HydrophobicContact CD1-CD1 3.83Å; L41-L143 HydrophobicContact CD2-CD1 4.01Å; L58-L143 HydrophobicContact CD1-CD1 3.94Å; L58-L143 HydrophobicContact CD1-CG 4.25Å; L58-L143 HydrophobicContact CG-CG 4.38Å; V91-L143 CarbonylContact C-O 3.54Å; V91-L143 VanDerWaalsContact CA-O 3.25Å; V91-L143 WeakPolarHBondContact CA-O 3.47Å; M92-L143 HydrophobicContact CB-CB 4.35Å; M92-L143 HydrophobicContact CE-CB 4.47Å; M92-L143 HydrophobicContact CE-CD1 3.76Å; M92-L143 HydrophobicContact CE-CD2 3.68Å; M92-L143 HydrophobicContact CE-CG 4.18Å; M92-L143 PolarHBondContact N-O 2.9Å; M92-L143 PolarHBondContact O-N 3.15Å; Y118-L143 HydrophobicContact CD1-CB 4.47Å; Y118-L143 HydrophobicContact CE1-CB 3.61Å; Y118-L143 HydrophobicContact CE2-CB 4.4Å; Y118-L143 HydrophobicContact CE2-CD1 3.89Å; Y118-L143 WeakPolarHBondContact OH-CB 3.05Å; M123-L143 HydrophobicContact SD-CD1 3.89Å; L143-M145 HydrophobicContact CD2-CB 4Å
144L92.9Very high85.4Confident1 Ų163.8 Ų63.81%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-119.9131.3175.1-53.793.8000108L58 V59 A61 L64 R84 F88 Y90 V91L58-L144 WeakPolarHBondContact CA-O 3.24Å; V59-L144 HydrophobicContact CB-CB 4.37Å; V59-L144 HydrophobicContact CG1-CD1 4.45Å; V59-L144 PolarHBondContact N-O 2.9Å; V59-L144 PolarHBondContact O-N 2.63Å; A61-L144 HydrophobicContact CB-CD1 4.03Å; L64-L144 HydrophobicContact CD2-CD2 4.15Å; R84-L144 HydrophobicContact CB-CD2 4.02Å; F88-L144 HydrophobicContact CB-CB 4Å; F88-L144 HydrophobicContact CB-CD2 4.45Å; F88-L144 HydrophobicContact CD1-CB 3.72Å; F88-L144 HydrophobicContact CD2-CB 3.8Å; F88-L144 HydrophobicContact CD2-CD2 3.57Å; F88-L144 HydrophobicContact CD2-CG 4.34Å; F88-L144 HydrophobicContact CE1-CB 4.11Å; F88-L144 HydrophobicContact CE2-CB 4.18Å; F88-L144 HydrophobicContact CE2-CD2 3.99Å; F88-L144 HydrophobicContact CG-CB 3.56Å; F88-L144 HydrophobicContact CG-CD2 4.11Å; F88-L144 HydrophobicContact CG-CG 4.5Å; F88-L144 HydrophobicContact CZ-CB 4.34Å; Y90-L144 CarbonylContact O-C 3.59Å; Y90-L144 WeakPolarHBondContact O-CA 3.39Å; V91-L144 HydrophobicContact CG1-CG 4.48Å; V91-L144 HydrophobicContact CG2-CD2 4.33Å; V91-L144 HydrophobicContact CG2-CG 4.31Å
145M93.5Very high86.2Confident0 Ų065.6 Ų65.60%033%0.332CS..EExtended strand (participates in β ladder)trans-135.2139.6-175-178.5-174.9179.800110Y48 V50 F56 R57 E89 Y90 L143Y48-M145 HydrophobicContact CD1-CE 4.49Å; Y48-M145 HydrophobicContact CD1-SD 4.41Å; Y48-M145 HydrophobicContact CE1-CE 3.69Å; Y48-M145 HydrophobicContact CE1-CG 4.33Å; Y48-M145 HydrophobicContact CE1-SD 3.81Å; V50-M145 HydrophobicContact CG2-CE 4.38Å; F56-M145 HydrophobicContact CB-CE 3.71Å; F56-M145 HydrophobicContact CB-CG 4.21Å; F56-M145 HydrophobicContact CD1-CE 3.41Å; F56-M145 VanDerWaalsContact CD1-CE 3.41Å; F56-M145 HydrophobicContact CD2-CE 3.33Å; F56-M145 HydrophobicContact CD2-CG 3.66Å; F56-M145 HydrophobicContact CD2-SD 3.99Å; F56-M145 HydrophobicContact CE1-CE 3.74Å; F56-M145 HydrophobicContact CE2-CE 3.64Å; F56-M145 HydrophobicContact CE2-CG 4.31Å; F56-M145 HydrophobicContact CE2-SD 4.19Å; F56-M145 HydrophobicContact CG-CE 3.18Å; F56-M145 HydrophobicContact CG-CG 4.16Å; F56-M145 HydrophobicContact CG-SD 4.37Å; F56-M145 HydrophobicContact CZ-CE 3.83Å; R57-M145 WeakPolarHBondContact O-CA 3.3Å; E89-M145 PolarHBondContact N-O 3.22Å; Y90-M145 HydrophobicContact CD1-CB 4.43Å; Y90-M145 HydrophobicContact CD1-SD 4.43Å; Y90-M145 PolarHBondContact N-O 3.28Å; Y90-M145 PolarHBondContact O-N 2.91Å; L143-M145 HydrophobicContact CD2-CB 4Å
146K93.3Very high86.5Confident80 Ų8068.9 Ų68.935%0.34835%0.349SS..EExtended strand (participates in β ladder)trans-141.8127.6178.3-177.1178.9-166.9153.10109.8F56 R57 Q87 F88 E89F56-K146 CarbonylContact C-O 3.55Å; F56-K146 WeakPolarHBondContact CA-O 3.11Å; F56-K146 WeakPolarHBondContact CB-O 3.29Å; R57-K146 PolarHBondContact N-O 3.39Å; R57-K146 PolarHBondContact O-N 2.67Å; Q87-K146 WeakPolarHBondContact O-CD 3.2Å; Q87-K146 PolarHBondContact O-NZ 3.25Å; F88-K146 HydrophobicContact CD1-CB 3.79Å; F88-K146 HydrophobicContact CE1-CB 4.45Å; E89-K146 HydrophobicContact CG-CG 4.29Å
147K90.9Very high86.6Confident53 Ų5363.7 Ų63.723%0.2333%0.327CS..EExtended strand (participates in β ladder)trans-66.6141.6174.6-91.7153.2178.8-105.70110.2Y48 P49 D54 E89Y48-K147 HydrophobicContact CE1-CD 4.11Å; Y48-K147 HydrophobicContact CE1-CG 4.35Å; Y48-K147 HydrophobicContact CE2-CD 4.05Å; Y48-K147 WeakPolarHBondContact OH-CD 3.41Å; Y48-K147 WeakPolarHBondContact OH-CG 3.37Å; Y48-K147 PolarHBondContact OH-N 3.32Å; P49-K147 WeakPolarHBondContact O-CE 3.37Å; P49-K147 PolarHBondContact O-NZ 2.69Å; D54-K147 IonicContact OD2-NZ 3Å; D54-K147 PolarHBondContact OD2-NZ 3.24Å; E89-K147 PolarHBondContact OE2-N 2.9Å
148L88.2Confident86.5Confident55 Ų5562.5 Ų62.529%0.28832%0.315SS..  trans-98.7108170.3-63176.4000107I9 K55 R57 F150I9-L148 HydrophobicContact CB-CD1 4.5Å; I9-L148 HydrophobicContact CD1-CD1 3.84Å; I9-L148 HydrophobicContact CG1-CD1 4.03Å; I9-L148 HydrophobicContact CG2-CD1 3.67Å; K55-L148 HydrophobicContact CB-CB 4.45Å; K55-L148 PolarHBondContact O-N 2.67Å; R57-L148 HydrophobicContact CB-CD2 4.38Å; R57-L148 HydrophobicContact CB-CG 4.46Å; L148-F150 HydrophobicContact CB-CE2 4.36Å; L148-F150 PolarHBondContact O-N 2.87Å
149A71.2Confident86.4Confident106 Ų10658.9 Ų58.988%0.87629%0.294SS*.  trans-72124.7170.800000109
150F52.6Low86.3Confident232 Ų23261.9 Ų61.9100%1.01830%0.304SS*.  trans-107.20164.9-81.5-81.9000109.9K55 L148K55-F150 HydrophobicContact CB-CE2 4.44Å; K55-F150 HydrophobicContact CD-CD2 4.37Å; K55-F150 HydrophobicContact CD-CE2 3.8Å; L148-F150 HydrophobicContact CB-CE2 4.36Å; L148-F150 PolarHBondContact O-N 2.87Å

Retrieved 150 of 150 residues in 82.3 ms (Link to these results)

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