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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 G4V892, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 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
1M55.5Low87.1Confident72 Ų7238.9 Ų38.936%0.35522%0.223SC..  0120.10-163.3-128-78.400109.7A3 V58 K91 M150M1-A3 HydrophobicContact SD-CB 3.7Å; M1-V58 HydrophobicContact CE-CG1 4.17Å; M1-V58 HydrophobicContact SD-CG1 4.18Å; M1-K91 HydrophobicContact CE-CB 4.29Å; M1-K91 HydrophobicContact CE-CD 3.25Å; M1-K91 HydrophobicContact CE-CG 4.41Å; M1-M150 HydrophobicContact CE-CE 4.36Å
2S68.6Low87.9Confident104 Ų10443 Ų4373%0.72724%0.237SC*.  trans-94.992.2165.4-179.20000107.3
3A82.3Confident88.6Confident34 Ų3444.5 Ų44.528%0.28124%0.244SC..EExtended strand (participates in β ladder)trans-66.4133.3171.700000108.3M1 L5 E6 V58M1-A3 HydrophobicContact SD-CB 3.7Å; A3-L5 VanDerWaalsContact C-N 3.29Å; A3-E6 HydrophobicContact CB-CB 4.42Å; A3-V58 HydrophobicContact CB-CG1 4.05Å
4L88.1Confident89.1Confident38 Ų3844.1 Ų44.120%0.19924%0.243CC..EExtended strand (participates in β ladder)trans-68.3-37.4169.5-72174.5000110.7L59 K61 F141L4-L59 WeakPolarHBondContact CB-O 3.48Å; L4-L59 PolarHBondContact N-O 2.85Å; L4-K61 HydrophobicContact CD1-CD 4.45Å; L4-K61 HydrophobicContact CD1-CG 3.73Å; L4-K61 HydrophobicContact CG-CG 4.21Å; L4-F141 HydrophobicContact CB-CE2 4.32Å; L4-F141 HydrophobicContact CB-CZ 4.29Å
5L90.8Very high89.5Confident11 Ų1143 Ų436%0.05824%0.237CC..EExtended strand (participates in β ladder)trans-150.8138.3177.3-171.375000109.3A3 M36 M57 V58 L59 L131 F141A3-L5 VanDerWaalsContact C-N 3.29Å; L5-M36 HydrophobicContact CD1-CE 3.91Å; L5-M36 HydrophobicContact CD1-SD 3.94Å; L5-M36 HydrophobicContact CD2-CE 4.15Å; L5-M36 HydrophobicContact CD2-SD 4.4Å; L5-M36 HydrophobicContact CG-CE 4.4Å; L5-M57 HydrophobicContact CD2-CE 3.74Å; L5-V58 WeakPolarHBondContact O-CA 3.25Å; L5-L59 HydrophobicContact CB-CB 4.12Å; L5-L59 HydrophobicContact CB-CD1 4.19Å; L5-L59 HydrophobicContact CB-CG 4.41Å; L5-L59 HydrophobicContact CD2-CD1 3.94Å; L5-L59 PolarHBondContact N-O 3.49Å; L5-L59 PolarHBondContact O-N 2.94Å; L5-L131 HydrophobicContact CD2-CD1 4.31Å; L5-L131 HydrophobicContact CD2-CD2 3.49Å; L5-L131 VanDerWaalsContact CD2-CD2 3.49Å; L5-F141 HydrophobicContact CB-CZ 4.35Å
6E92.3Very high89.6Confident81 Ų8147.6 Ų47.638%0.37925%0.254SS..EExtended strand (participates in β ladder)trans-139.3122.4167175.6172.4151.500108.1A3 R56 M57 V58A3-E6 HydrophobicContact CB-CB 4.42Å; E6-R56 IonicContact OE1-CZ 2.64Å; E6-R56 IonicContact OE1-NE 3.71Å; E6-R56 PolarHBondContact OE1-NE 2.79Å; E6-R56 IonicContact OE1-NH2 3.02Å; E6-R56 PolarHBondContact OE1-NH2 3.05Å; E6-R56 IonicContact OE2-CZ 3.24Å; E6-R56 IonicContact OE2-NH2 3.9Å; E6-R56 PolarHBondContact OE2-NH2 2.88Å; E6-M57 WeakPolarHBondContact CA-O 3.3Å; E6-V58 HydrophobicContact CB-CG2 4.17Å; E6-V58 HydrophobicContact CG-CG2 3.83Å
7D94.1Very high89.7Confident7 Ų751.2 Ų51.24%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-155.1166.7174.6-159.16.2000111.1F9 S31 S33 F34 M36 M57D7-F9 HydrophobicContact CB-CD2 4.4Å; D7-F9 HydrophobicContact CB-CE2 3.87Å; D7-S31 WeakPolarHBondContact OD2-CB 3.49Å; D7-S31 PolarHBondContact OD2-OG 2.9Å; D7-S33 WeakPolarHBondContact OD1-CB 3.33Å; D7-S33 PolarHBondContact OD1-OG 2.97Å; D7-F34 HydrophobicContact CB-CD2 4.2Å; D7-F34 HydrophobicContact CB-CE2 4.39Å; D7-F34 VanDerWaalsContact OD2-CD2 3.29Å; D7-F34 WeakPolarHBondContact OD2-CD2 2.97Å; D7-M36 HydrophobicContact CB-CE 3.85Å; D7-M36 VanDerWaalsContact OD2-CE 3.24Å; D7-M36 WeakPolarHBondContact OD2-CE 3.36Å; D7-M57 PolarHBondContact N-O 2.95Å; D7-M57 VanDerWaalsContact N-O 3.12Å; D7-M57 PolarHBondContact O-N 3.32Å
8I96.1Very high89.8Confident53 Ų5350.6 Ų50.627%0.27228%0.281SS..EExtended strand (participates in β ladder)trans-97.7131.7170.3-61.3173.2000108.4E32 K54 F55 L154I8-E32 HydrophobicContact CG2-CG 4.29Å; I8-E32 PolarHBondContact O-N 3.15Å; I8-K54 HydrophobicContact CG2-CB 4.43Å; I8-F55 WeakPolarHBondContact CA-O 3.29Å; I8-L154 HydrophobicContact CD1-CD1 3.9Å; I8-L154 HydrophobicContact CG1-CD1 4.11Å; I8-L154 HydrophobicContact CG2-CD1 3.75Å
9F97.1Very high89.9Confident0 Ų054.8 Ų54.80%030%0.296CS..EExtended strand (participates in β ladder)trans-117140.6177.9-74.6-93000111D7 C29 E30 S31 M36 L38 K54 F55 M57 L131D7-F9 HydrophobicContact CB-CD2 4.4Å; D7-F9 HydrophobicContact CB-CE2 3.87Å; F9-C29 HydrophobicContact CB-CB 4.1Å; F9-C29 HydrophobicContact CD1-CB 4.17Å; F9-E30 WeakPolarHBondContact CA-O 3.37Å; F9-S31 VanDerWaalsContact CE1-CB 3.48Å; F9-M36 HydrophobicContact CE1-CB 4.3Å; F9-M36 HydrophobicContact CE2-CE 4.41Å; F9-M36 HydrophobicContact CZ-CB 4.42Å; F9-M36 HydrophobicContact CZ-CE 3.83Å; F9-L38 HydrophobicContact CB-CD2 4.37Å; F9-L38 HydrophobicContact CD1-CB 3.67Å; F9-L38 HydrophobicContact CD1-CD2 3.74Å; F9-L38 HydrophobicContact CD1-CG 4.37Å; F9-L38 HydrophobicContact CD2-CD2 4.16Å; F9-L38 HydrophobicContact CE1-CB 3.46Å; F9-L38 VanDerWaalsContact CE1-CB 3.46Å; F9-L38 HydrophobicContact CE1-CD2 3.97Å; F9-L38 HydrophobicContact CE1-CG 4.32Å; F9-L38 HydrophobicContact CE2-CD2 4.37Å; F9-L38 HydrophobicContact CG-CD2 3.82Å; F9-L38 HydrophobicContact CZ-CB 4.23Å; F9-L38 HydrophobicContact CZ-CD2 4.25Å; F9-K54 WeakPolarHBondContact O-CA 3.3Å; F9-F55 HydrophobicContact CB-CD1 4.47Å; F9-F55 HydrophobicContact CB-CD2 4.35Å; F9-F55 HydrophobicContact CB-CE1 3.92Å; F9-F55 HydrophobicContact CB-CE2 3.81Å; F9-F55 HydrophobicContact CB-CZ 3.57Å; F9-F55 HydrophobicContact CD2-CE2 4.45Å; F9-F55 HydrophobicContact CG-CE2 4.4Å; F9-F55 HydrophobicContact CG-CZ 4.36Å; F9-F55 PolarHBondContact N-O 2.89Å; F9-F55 PolarHBondContact O-N 2.85Å; F9-M57 HydrophobicContact CD2-CB 3.92Å; F9-M57 HydrophobicContact CD2-CE 4.2Å; F9-M57 HydrophobicContact CD2-SD 4.42Å; F9-M57 HydrophobicContact CE2-CB 4.17Å; F9-M57 HydrophobicContact CE2-CE 3.42Å; F9-M57 VanDerWaalsContact CE2-CE 3.42Å; F9-M57 HydrophobicContact CE2-SD 4.2Å; F9-M57 HydrophobicContact CZ-CE 3.86Å; F9-L131 HydrophobicContact CE1-CD1 4.41Å; F9-L131 HydrophobicContact CZ-CD1 3.99Å
10D96.5Very high90.1Very high27 Ų2759.8 Ų59.814%0.14432%0.315CS..EExtended strand (participates in β ladder)trans-107125.8177.9-172.3-69.2000109.1K12 C29 E30 K54D10-K12 PolarHBondContact O-N 3.04Å; D10-K12 WeakPolarHBondContact OD1-CE 3.48Å; D10-K12 IonicContact OD1-NZ 2.84Å; D10-K12 PolarHBondContact OD1-NZ 2.82Å; D10-K12 IonicContact OD2-NZ 3.98Å; D10-C29 CarbonylContact O-C 3.57Å; D10-C29 WeakPolarHBondContact O-CA 3.4Å; D10-C29 WeakPolarHBondContact O-CB 3.47Å; D10-E30 PolarHBondContact N-O 3.44Å; D10-E30 PolarHBondContact O-N 3.34Å; D10-K54 HydrophobicContact CB-CG 4.35Å; D10-K54 WeakPolarHBondContact OD2-CE 3.47Å
11V96.9Very high90.2Very high1 Ų163.3 Ų63.31%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-77.3105.2-178-177.40000109.5V14 L27 L49 G52 D53 F55V11-V14 HydrophobicContact CG1-CG2 3.69Å; V11-L27 HydrophobicContact CG1-CD2 4.38Å; V11-L49 HydrophobicContact CG2-CB 4.41Å; V11-G52 PolarHBondContact O-N 3.29Å; V11-D53 HydrophobicContact CG2-CB 4.3Å; V11-D53 WeakPolarHBondContact CG2-O 3.06Å; V11-D53 PolarHBondContact N-O 3Å; V11-F55 HydrophobicContact CG2-CD1 3.94Å; V11-F55 HydrophobicContact CG2-CE1 3.68Å
12K96.9Very high92Very high88 Ų8866.9 Ų66.938%0.38335%0.348SS..EExtended strand (participates in β ladder)trans-81.2-37.1179.2-58.5-54.5178.9-1620112.7D10 F28 E30 K51D10-K12 PolarHBondContact O-N 3.04Å; D10-K12 WeakPolarHBondContact OD1-CE 3.48Å; D10-K12 IonicContact OD1-NZ 2.84Å; D10-K12 PolarHBondContact OD1-NZ 2.82Å; D10-K12 IonicContact OD2-NZ 3.98Å; K12-F28 WeakPolarHBondContact CA-O 3.5Å; K12-F28 WeakPolarHBondContact CB-O 3.25Å; K12-F28 PolarHBondContact N-O 2.97Å; K12-E30 VanDerWaalsContact CE-OE2 3.28Å; K12-E30 WeakPolarHBondContact CE-OE2 3.36Å; K12-E30 HydrophobicContact CG-CB 4.06Å; K12-K51 WeakPolarHBondContact O-CD 3.19Å; K12-K51 WeakPolarHBondContact O-CE 3.24Å; K12-K51 WeakPolarHBondContact O-CG 3.5Å; K12-K51 PolarHBondContact O-NZ 3.34Å
13D96.6Very high93.3Very high63 Ų6367.8 Ų67.834%0.33734%0.339SS..EExtended strand (participates in β ladder)trans-153.2158.7177.4-137-20.1000112.7F28D13-F28 HydrophobicContact CB-CB 4.18Å; D13-F28 HydrophobicContact CB-CD2 4.4Å; D13-F28 PolarHBondContact N-O 2.94Å; D13-F28 VanDerWaalsContact N-O 3.1Å; D13-F28 PolarHBondContact O-N 3.19Å
14V95.7Very high93.9Very high38 Ų3867.8 Ų67.823%0.2334%0.335CS..EExtended strand (participates in β ladder)trans-131.1123.9176.5-176.80000107.8V11 K16 L27V11-V14 HydrophobicContact CG1-CG2 3.69Å; V14-K16 PolarHBondContact O-N 3.11Å; V14-L27 HydrophobicContact CB-CD2 4.4Å; V14-L27 HydrophobicContact CG1-CD2 4.05Å; V14-L27 HydrophobicContact CG2-CD2 3.76Å
15D95Very high94.3Very high28 Ų2866.5 Ų66.515%0.1533%0.33CS..  trans53.651.3178.1-63.3-39.6000113.4D17 G18 S25 R26D15-D17 PolarHBondContact O-N 2.76Å; D15-G18 WeakPolarHBondContact O-CA 3.44Å; D15-G18 PolarHBondContact O-N 3.43Å; D15-S25 WeakPolarHBondContact OD1-CA 3.41Å; D15-S25 VanDerWaalsContact OD2-CB 3.31Å; D15-S25 WeakPolarHBondContact OD2-CB 3.34Å; D15-S25 PolarHBondContact OD2-OG 3.13Å; D15-R26 PolarHBondContact N-O 2.7Å; D15-R26 PolarHBondContact OD1-N 3.09Å
16K91.7Very high94.6Very high117 Ų11770.4 Ų70.451%0.50934%0.344SS..THydrogen-bonded Turntrans-50.8-32-176.979178.6-177.4-178.20114.6V14 G18 F28V14-K16 PolarHBondContact O-N 3.11Å; K16-G18 VanDerWaalsContact C-N 3.3Å; K16-F28 HydrophobicContact CB-CD2 4.22Å; K16-F28 HydrophobicContact CB-CE2 3.93Å; K16-F28 HydrophobicContact CD-CD1 4.21Å; K16-F28 HydrophobicContact CD-CD2 4.2Å; K16-F28 HydrophobicContact CD-CE1 3.65Å; K16-F28 HydrophobicContact CD-CE2 3.65Å; K16-F28 HydrophobicContact CD-CG 4.47Å; K16-F28 HydrophobicContact CD-CZ 3.35Å; K16-F28 HydrophobicContact CG-CD2 4.23Å; K16-F28 HydrophobicContact CG-CE1 4.43Å; K16-F28 HydrophobicContact CG-CE2 3.53Å; K16-F28 HydrophobicContact CG-CZ 3.66Å
17D91.4Very high94.8Very high109 Ų10966.5 Ų66.558%0.58333%0.326SS*.THydrogen-bonded Turntrans-94.715.8-178.3-56.6-50.2000112D15D15-D17 PolarHBondContact O-N 2.76Å
18G91.7Very high95Very high40 Ų4067.7 Ų67.741%0.41233%0.331SS..  trans87.7154.4-17200000113.2D15 K16 K20D15-G18 WeakPolarHBondContact O-CA 3.44Å; D15-G18 PolarHBondContact O-N 3.43Å; K16-G18 VanDerWaalsContact C-N 3.3Å; G18-K20 PolarHBondContact O-N 2.88Å; G18-K20 VanDerWaalsContact O-N 3.15Å
19K91.5Very high95.1Very high131 Ų13165.6 Ų65.657%0.5732%0.32SS*.  trans-72.4106.1177.9-171174.1-177.9-177.80110.2F21 D22K19-F21 WeakPolarHBondContact CE-O 3.3Å; K19-F21 WeakPolarHBondContact CG-O 3.31Å; K19-D22 WeakPolarHBondContact CE-O 3.37Å; K19-D22 PolarHBondContact NZ-O 2.8Å
20K92.6Very high95.1Very high154 Ų15470.3 Ų70.367%0.6734%0.342SS*.  trans-91.3-22.9-179.2-66.6-177.1-178.7176.40113.8G18G18-K20 PolarHBondContact O-N 2.88Å; G18-K20 VanDerWaalsContact O-N 3.15Å
21F93.9Very high95Very high134 Ų13469.4 Ų69.459%0.58834%0.338SS*.  trans-129.4142.6-176.5-57.1-73.6000110.1K19 V24K19-F21 WeakPolarHBondContact CE-O 3.3Å; K19-F21 WeakPolarHBondContact CG-O 3.31Å; F21-V24 HydrophobicContact CB-CB 4.03Å
22D92.3Very high94.8Very high146 Ų14674 Ų7478%0.78136%0.36SS*.SBendtrans-69.3-40.8-177.6-71.5-24.9000112.7K19K19-D22 WeakPolarHBondContact CE-O 3.37Å; K19-D22 PolarHBondContact NZ-O 2.8Å
23K95.2Very high94.5Very high124 Ų12473.6 Ų73.654%0.53937%0.368SS..SBendtrans-105.2-11.3-169.8-57.7-177.1-177.9178.40114.2H43 A44 L45K23-H43 CarbonylContact O-C 3.45Å; K23-H43 WeakPolarHBondContact O-CA 3.44Å; K23-H43 PolarHBondContact O-CD2 2.88Å; K23-A44 PolarHBondContact O-N 3.1Å; K23-L45 HydrophobicContact CB-CB 4.47Å; K23-L45 HydrophobicContact CD-CD2 4.23Å; K23-L45 HydrophobicContact CG-CD2 4.34Å
24V95.7Very high93.9Very high33 Ų3375 Ų7520%0.237%0.371CS..  trans-119.9133.1-177.3179.90000108.4F21 D41 I42 L127F21-V24 HydrophobicContact CB-CB 4.03Å; V24-D41 HydrophobicContact CG1-CB 4.09Å; V24-I42 VanDerWaalsContact CA-O 3.3Å; V24-I42 WeakPolarHBondContact CA-O 3.33Å; V24-L127 HydrophobicContact CG1-CD2 3.73Å; V24-L127 HydrophobicContact CG2-CD2 3.92Å
25S96.4Very high93.5Very high11 Ų1180.9 Ų80.98%0.07739%0.394CS..EExtended strand (participates in β ladder)trans-123.1144.1172-75.30000109.9D15 D41 I42D15-S25 WeakPolarHBondContact OD1-CA 3.41Å; D15-S25 VanDerWaalsContact OD2-CB 3.31Å; D15-S25 WeakPolarHBondContact OD2-CB 3.34Å; D15-S25 PolarHBondContact OD2-OG 3.13Å; S25-D41 WeakPolarHBondContact O-CA 3.4Å; S25-I42 PolarHBondContact N-O 2.73Å; S25-I42 VanDerWaalsContact N-O 3.11Å; S25-I42 PolarHBondContact O-N 2.86Å
26R97.3Very high93.5Very high93 Ų9379.6 Ų79.635%0.35139%0.387SS..EExtended strand (participates in β ladder)trans-96.6113.8174.6-179.4163-70.3172.6-0.4109.9D15 F28 I39 D41D15-R26 PolarHBondContact N-O 2.7Å; D15-R26 PolarHBondContact OD1-N 3.09Å; R26-F28 HydrophobicContact CB-CE2 4.49Å; R26-F28 HydrophobicContact CG-CE2 3.79Å; R26-F28 HydrophobicContact CG-CZ 3.95Å; R26-I39 HydrophobicContact CG-CG2 3.73Å; R26-D41 WeakPolarHBondContact CB-OD1 3.37Å; R26-D41 WeakPolarHBondContact CG-OD1 3.24Å; R26-D41 IonicContact CZ-OD1 3.42Å; R26-D41 IonicContact CZ-OD2 3.76Å; R26-D41 IonicContact NE-OD1 2.73Å; R26-D41 PolarHBondContact NE-OD1 2.9Å; R26-D41 IonicContact NE-OD2 3.81Å; R26-D41 IonicContact NH2-OD1 2.81Å; R26-D41 PolarHBondContact NH2-OD1 2.76Å; R26-D41 IonicContact NH2-OD2 3.47Å; R26-D41 PolarHBondContact NH2-OD2 3.24Å
27L97.2Very high93.6Very high0 Ų075.1 Ų75.10%037%0.373CS..EExtended strand (participates in β ladder)trans-87.7142.3177.2-52.6177000110.4V11 V14 I39 L40 I42 L49V11-L27 HydrophobicContact CG1-CD2 4.38Å; V14-L27 HydrophobicContact CB-CD2 4.4Å; V14-L27 HydrophobicContact CG1-CD2 4.05Å; V14-L27 HydrophobicContact CG2-CD2 3.76Å; L27-I39 VanDerWaalsContact O-CA 3.3Å; L27-I39 WeakPolarHBondContact O-CA 3.22Å; L27-L40 WeakPolarHBondContact CB-O 3.29Å; L27-L40 PolarHBondContact N-O 3.23Å; L27-L40 PolarHBondContact O-N 3.01Å; L27-I42 HydrophobicContact CD1-CB 4.49Å; L27-I42 HydrophobicContact CD1-CD1 3.73Å; L27-I42 HydrophobicContact CD1-CG1 3.85Å; L27-I42 HydrophobicContact CD1-CG2 3.79Å; L27-I42 HydrophobicContact CD2-CD1 4.12Å; L27-I42 HydrophobicContact CD2-CG1 4.33Å; L27-I42 HydrophobicContact CG-CD1 4.11Å; L27-I42 HydrophobicContact CG-CG1 3.95Å; L27-I42 HydrophobicContact CG-CG2 4.49Å; L27-L49 HydrophobicContact CD1-CB 4.21Å; L27-L49 HydrophobicContact CD1-CD1 3.57Å; L27-L49 HydrophobicContact CD1-CG 4.5Å; L27-L49 HydrophobicContact CD2-CB 4.21Å
28F97.7Very high93.9Very high32 Ų3270 Ų7014%0.1435%0.346CS..EExtended strand (participates in β ladder)trans-116.8111.9168-65.3-93.2000107.6K12 D13 K16 R26 I39K12-F28 WeakPolarHBondContact CA-O 3.5Å; K12-F28 WeakPolarHBondContact CB-O 3.25Å; K12-F28 PolarHBondContact N-O 2.97Å; D13-F28 HydrophobicContact CB-CB 4.18Å; D13-F28 HydrophobicContact CB-CD2 4.4Å; D13-F28 PolarHBondContact N-O 2.94Å; D13-F28 VanDerWaalsContact N-O 3.1Å; D13-F28 PolarHBondContact O-N 3.19Å; K16-F28 HydrophobicContact CB-CD2 4.22Å; K16-F28 HydrophobicContact CB-CE2 3.93Å; K16-F28 HydrophobicContact CD-CD1 4.21Å; K16-F28 HydrophobicContact CD-CD2 4.2Å; K16-F28 HydrophobicContact CD-CE1 3.65Å; K16-F28 HydrophobicContact CD-CE2 3.65Å; K16-F28 HydrophobicContact CD-CG 4.47Å; K16-F28 HydrophobicContact CD-CZ 3.35Å; K16-F28 HydrophobicContact CG-CD2 4.23Å; K16-F28 HydrophobicContact CG-CE1 4.43Å; K16-F28 HydrophobicContact CG-CE2 3.53Å; K16-F28 HydrophobicContact CG-CZ 3.66Å; R26-F28 HydrophobicContact CB-CE2 4.49Å; R26-F28 HydrophobicContact CG-CE2 3.79Å; R26-F28 HydrophobicContact CG-CZ 3.95Å; F28-I39 HydrophobicContact CD1-CD1 4.03Å; F28-I39 HydrophobicContact CD1-CG1 3.81Å; F28-I39 HydrophobicContact CD1-CG2 4.49Å; F28-I39 HydrophobicContact CE1-CD1 3.71Å; F28-I39 HydrophobicContact CE1-CG1 3.92Å; F28-I39 HydrophobicContact CE1-CG2 4.14Å; F28-I39 HydrophobicContact CZ-CG2 4.42Å
29C97.5Very high94.2Very high9 Ų970.2 Ų70.26%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-125.7155.6-172.1-47.90000111.3F9 D10 L38 F55F9-C29 HydrophobicContact CB-CB 4.1Å; F9-C29 HydrophobicContact CD1-CB 4.17Å; D10-C29 CarbonylContact O-C 3.57Å; D10-C29 WeakPolarHBondContact O-CA 3.4Å; D10-C29 WeakPolarHBondContact O-CB 3.47Å; C29-L38 HydrophobicContact CB-CB 4.1Å; C29-L38 HydrophobicContact CB-CD2 4.2Å; C29-L38 HydrophobicContact CB-CG 4.39Å; C29-L38 PolarHBondContact N-O 3.24Å; C29-L38 PolarHBondContact O-N 3.46Å; C29-F55 HydrophobicContact CB-CE1 4.4Å; C29-F55 HydrophobicContact CB-CZ 4.34Å
30E96.9Very high94.5Very high98 Ų9864 Ų6446%0.45831%0.31SS..EExtended strand (participates in β ladder)trans-128141.5175.6-168178.6-171.900109.3F9 D10 K12 M36F9-E30 WeakPolarHBondContact CA-O 3.37Å; D10-E30 PolarHBondContact N-O 3.44Å; D10-E30 PolarHBondContact O-N 3.34Å; K12-E30 VanDerWaalsContact CE-OE2 3.28Å; K12-E30 WeakPolarHBondContact CE-OE2 3.36Å; K12-E30 HydrophobicContact CG-CB 4.06Å; E30-M36 WeakPolarHBondContact CA-O 3.46Å
31S95.7Very high94.7Very high8 Ų857.4 Ų57.46%0.05628%0.282CS..EExtended strand (participates in β ladder)trans-80.7141.5-178.7121.50000111.3D7 F9 F34 K35 M36D7-S31 WeakPolarHBondContact OD2-CB 3.49Å; D7-S31 PolarHBondContact OD2-OG 2.9Å; F9-S31 VanDerWaalsContact CE1-CB 3.48Å; S31-F34 PolarHBondContact OG-N 2.81Å; S31-K35 PolarHBondContact OG-N 2.97Å; S31-M36 WeakPolarHBondContact CB-O 3.3Å; S31-M36 PolarHBondContact N-O 2.85Å; S31-M36 PolarHBondContact OG-N 2.87Å
32E93Very high94.8Very high99 Ų9951 Ų5146%0.46325%0.254SS..SBendtrans-76.7-37.8178.1-69.3-161.1144.800112.4I8 K54I8-E32 HydrophobicContact CG2-CG 4.29Å; I8-E32 PolarHBondContact O-N 3.15Å; E32-K54 VanDerWaalsContact OE1-CE 3.28Å; E32-K54 WeakPolarHBondContact OE1-CE 3.42Å; E32-K54 IonicContact OE1-NZ 2.83Å; E32-K54 PolarHBondContact OE1-NZ 2.86Å
33S89.6Confident95Very high78 Ų7846.6 Ų46.655%0.54523%0.229SC..SBendtrans-90.3-39.2-168.7-49.50000113D7D7-S33 WeakPolarHBondContact OD1-CB 3.33Å; D7-S33 PolarHBondContact OD1-OG 2.97Å
34F83.8Confident94.9Very high92 Ų9242 Ų4240%0.40421%0.213SC..SBendtrans-123.99.6-160.4-59.5-61.4000114.6D7 S31 M36 N137D7-F34 HydrophobicContact CB-CD2 4.2Å; D7-F34 HydrophobicContact CB-CE2 4.39Å; D7-F34 VanDerWaalsContact OD2-CD2 3.29Å; D7-F34 WeakPolarHBondContact OD2-CD2 2.97Å; S31-F34 PolarHBondContact OG-N 2.81Å; F34-M36 HydrophobicContact CB-CE 3.87Å; F34-M36 HydrophobicContact CB-CG 3.82Å; F34-M36 HydrophobicContact CB-SD 4.05Å; F34-M36 HydrophobicContact CD2-CE 3.72Å; F34-M36 HydrophobicContact CG-CE 4.26Å; F34-M36 PolarHBondContact O-N 2.78Å; F34-N137 WeakPolarHBondContact CB-ND2 3.42Å
35K88.5Confident94.7Very high163 Ų16346.1 Ų46.171%0.70923%0.234SC*.  trans51.339.1-177-59.5-178.1176.8-179.70112.6S31 R117S31-K35 PolarHBondContact OG-N 2.97Å; K35-R117 PolarHBondContact O-NH2 2.81Å
36M93.4Very high94.5Very high1 Ų151.1 Ų51.11%0.00526%0.259CS..  trans-87.4140.4175.6-58.6177.9-61.100109.9L5 D7 F9 E30 S31 F34 L131 T132 N137L5-M36 HydrophobicContact CD1-CE 3.91Å; L5-M36 HydrophobicContact CD1-SD 3.94Å; L5-M36 HydrophobicContact CD2-CE 4.15Å; L5-M36 HydrophobicContact CD2-SD 4.4Å; L5-M36 HydrophobicContact CG-CE 4.4Å; D7-M36 HydrophobicContact CB-CE 3.85Å; D7-M36 VanDerWaalsContact OD2-CE 3.24Å; D7-M36 WeakPolarHBondContact OD2-CE 3.36Å; F9-M36 HydrophobicContact CE1-CB 4.3Å; F9-M36 HydrophobicContact CE2-CE 4.41Å; F9-M36 HydrophobicContact CZ-CB 4.42Å; F9-M36 HydrophobicContact CZ-CE 3.83Å; E30-M36 WeakPolarHBondContact CA-O 3.46Å; S31-M36 WeakPolarHBondContact CB-O 3.3Å; S31-M36 PolarHBondContact N-O 2.85Å; S31-M36 PolarHBondContact OG-N 2.87Å; F34-M36 HydrophobicContact CB-CE 3.87Å; F34-M36 HydrophobicContact CB-CG 3.82Å; F34-M36 HydrophobicContact CB-SD 4.05Å; F34-M36 HydrophobicContact CD2-CE 3.72Å; F34-M36 HydrophobicContact CG-CE 4.26Å; F34-M36 PolarHBondContact O-N 2.78Å; M36-L131 HydrophobicContact CB-CD1 4.28Å; M36-T132 CarbonylContact C-O 3.58Å; M36-T132 WeakPolarHBondContact CA-O 3.46Å; M36-T132 VanDerWaalsContact CB-O 3.3Å; M36-T132 WeakPolarHBondContact CB-O 3.46Å; M36-N137 HydrophobicContact SD-CB 4.32Å
37G95.6Very high94.3Very high22 Ų2247.9 Ų47.923%0.22725%0.246CC..EExtended strand (participates in β ladder)trans-96.5133.6170.300000109.7T132G37-T132 VanDerWaalsContact CA-OG1 3.3Å; G37-T132 WeakPolarHBondContact CA-OG1 3.28Å; G37-T132 PolarHBondContact N-O 3.06Å; G37-T132 PolarHBondContact N-OG1 2.81Å; G37-T132 PolarHBondContact O-N 3.23Å; G37-T132 PolarHBondContact O-OG1 3.34Å; G37-T132 VanDerWaalsContact O-OG1 3.05Å
38L97.5Very high94Very high2 Ų250.2 Ų50.21%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-125.1127.1178.5171.968.5000109.7F9 C29 L40 F55 M57 M129 Q130 L131F9-L38 HydrophobicContact CB-CD2 4.37Å; F9-L38 HydrophobicContact CD1-CB 3.67Å; F9-L38 HydrophobicContact CD1-CD2 3.74Å; F9-L38 HydrophobicContact CD1-CG 4.37Å; F9-L38 HydrophobicContact CD2-CD2 4.16Å; F9-L38 HydrophobicContact CE1-CB 3.46Å; F9-L38 VanDerWaalsContact CE1-CB 3.46Å; F9-L38 HydrophobicContact CE1-CD2 3.97Å; F9-L38 HydrophobicContact CE1-CG 4.32Å; F9-L38 HydrophobicContact CE2-CD2 4.37Å; F9-L38 HydrophobicContact CG-CD2 3.82Å; F9-L38 HydrophobicContact CZ-CB 4.23Å; F9-L38 HydrophobicContact CZ-CD2 4.25Å; C29-L38 HydrophobicContact CB-CB 4.1Å; C29-L38 HydrophobicContact CB-CD2 4.2Å; C29-L38 HydrophobicContact CB-CG 4.39Å; C29-L38 PolarHBondContact N-O 3.24Å; C29-L38 PolarHBondContact O-N 3.46Å; L38-L40 HydrophobicContact CD1-CB 4.29Å; L38-L40 HydrophobicContact CG-CB 4.27Å; L38-F55 HydrophobicContact CD2-CE2 4.13Å; L38-F55 HydrophobicContact CD2-CZ 3.83Å; L38-M57 HydrophobicContact CD1-SD 4.35Å; L38-M57 HydrophobicContact CD2-CE 4.4Å; L38-M57 HydrophobicContact CD2-SD 3.71Å; L38-M129 HydrophobicContact CD1-CG 3.63Å; L38-M129 HydrophobicContact CD1-SD 3.98Å; L38-Q130 WeakPolarHBondContact CA-O 3.5Å; L38-L131 HydrophobicContact CB-CD1 4.48Å; L38-L131 HydrophobicContact CD1-CD1 4.36Å
39I97.8Very high93.8Very high45 Ų4549.3 Ų49.323%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-113.8126.6164.8-56.3176000106.5R26 L27 F28 M129 Q130R26-I39 HydrophobicContact CG-CG2 3.73Å; L27-I39 VanDerWaalsContact O-CA 3.3Å; L27-I39 WeakPolarHBondContact O-CA 3.22Å; F28-I39 HydrophobicContact CD1-CD1 4.03Å; F28-I39 HydrophobicContact CD1-CG1 3.81Å; F28-I39 HydrophobicContact CD1-CG2 4.49Å; F28-I39 HydrophobicContact CE1-CD1 3.71Å; F28-I39 HydrophobicContact CE1-CG1 3.92Å; F28-I39 HydrophobicContact CE1-CG2 4.14Å; F28-I39 HydrophobicContact CZ-CG2 4.42Å; I39-M129 CarbonylContact O-C 3.55Å; I39-M129 VanDerWaalsContact O-CA 3.24Å; I39-M129 WeakPolarHBondContact O-CA 3.36Å; I39-Q130 HydrophobicContact CB-CB 4.22Å; I39-Q130 PolarHBondContact N-O 3.2Å; I39-Q130 PolarHBondContact O-N 3.4Å
40L97.7Very high93.6Very high1 Ų152.4 Ų52.41%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-141.4125.3-174.4179.266.6000111.2L27 L38 I42 F124 M129 L149 I151L27-L40 WeakPolarHBondContact CB-O 3.29Å; L27-L40 PolarHBondContact N-O 3.23Å; L27-L40 PolarHBondContact O-N 3.01Å; L38-L40 HydrophobicContact CD1-CB 4.29Å; L38-L40 HydrophobicContact CG-CB 4.27Å; L40-I42 HydrophobicContact CD2-CG2 3.67Å; L40-I42 HydrophobicContact CG-CG2 3.78Å; L40-F124 HydrophobicContact CD1-CE2 4.36Å; L40-M129 HydrophobicContact CD1-CB 3.8Å; L40-M129 HydrophobicContact CD1-CG 3.91Å; L40-M129 HydrophobicContact CD1-SD 4.3Å; L40-L149 HydrophobicContact CD1-CD2 3.82Å; L40-L149 HydrophobicContact CD2-CD2 4.16Å; L40-I151 HydrophobicContact CD2-CD1 3.48Å; L40-I151 VanDerWaalsContact CD2-CD1 3.48Å
41D97.2Very high93.6Very high15 Ų1554.4 Ų54.48%0.0830%0.296CS..EExtended strand (participates in β ladder)trans-82.7127.1167.2-64-25.7000109.6V24 S25 R26 L127 L128V24-D41 HydrophobicContact CG1-CB 4.09Å; S25-D41 WeakPolarHBondContact O-CA 3.4Å; R26-D41 WeakPolarHBondContact CB-OD1 3.37Å; R26-D41 WeakPolarHBondContact CG-OD1 3.24Å; R26-D41 IonicContact CZ-OD1 3.42Å; R26-D41 IonicContact CZ-OD2 3.76Å; R26-D41 IonicContact NE-OD1 2.73Å; R26-D41 PolarHBondContact NE-OD1 2.9Å; R26-D41 IonicContact NE-OD2 3.81Å; R26-D41 IonicContact NH2-OD1 2.81Å; R26-D41 PolarHBondContact NH2-OD1 2.76Å; R26-D41 IonicContact NH2-OD2 3.47Å; R26-D41 PolarHBondContact NH2-OD2 3.24Å; D41-L127 HydrophobicContact CB-CB 4.12Å; D41-L127 HydrophobicContact CB-CD2 4.07Å; D41-L128 PolarHBondContact N-O 2.83Å; D41-L128 PolarHBondContact OD2-N 2.87Å
42I95.9Very high93.5Very high0 Ų056.4 Ų56.40%032%0.318CS..EExtended strand (participates in β ladder)trans-124.7151.7179.157.7153.6000111.4V24 S25 L27 L40 A44 Y47 L49V24-I42 VanDerWaalsContact CA-O 3.3Å; V24-I42 WeakPolarHBondContact CA-O 3.33Å; S25-I42 PolarHBondContact N-O 2.73Å; S25-I42 VanDerWaalsContact N-O 3.11Å; S25-I42 PolarHBondContact O-N 2.86Å; L27-I42 HydrophobicContact CD1-CB 4.49Å; L27-I42 HydrophobicContact CD1-CD1 3.73Å; L27-I42 HydrophobicContact CD1-CG1 3.85Å; L27-I42 HydrophobicContact CD1-CG2 3.79Å; L27-I42 HydrophobicContact CD2-CD1 4.12Å; L27-I42 HydrophobicContact CD2-CG1 4.33Å; L27-I42 HydrophobicContact CG-CD1 4.11Å; L27-I42 HydrophobicContact CG-CG1 3.95Å; L27-I42 HydrophobicContact CG-CG2 4.49Å; L40-I42 HydrophobicContact CD2-CG2 3.67Å; L40-I42 HydrophobicContact CG-CG2 3.78Å; I42-A44 VanDerWaalsContact C-N 3.29Å; I42-A44 PolarHBondContact O-N 2.64Å; I42-Y47 VanDerWaalsContact CD1-O 3.25Å; I42-Y47 WeakPolarHBondContact CD1-O 3.22Å; I42-L49 HydrophobicContact CD1-CB 4.26Å; I42-L49 HydrophobicContact CD1-CD1 4.45Å; I42-L49 HydrophobicContact CD1-CG 4.45Å
43H95.5Very high93.6Very high53 Ų5353.2 Ų53.225%0.24530%0.304CS..  trans-77.483169.1-168.2-136.6000110.1K23 L45 I46 Y47 Y97K23-H43 CarbonylContact O-C 3.45Å; K23-H43 WeakPolarHBondContact O-CA 3.44Å; K23-H43 PolarHBondContact O-CD2 2.88Å; H43-L45 PolarHBondContact O-N 3.49Å; H43-I46 HydrophobicContact CB-CD1 4.21Å; H43-I46 HydrophobicContact CB-CG1 4.01Å; H43-I46 WeakPolarHBondContact ND1-CD1 3.35Å; H43-I46 WeakPolarHBondContact ND1-CG1 3.11Å; H43-I46 WeakPolarHBondContact O-CG1 3.28Å; H43-I46 PolarHBondContact O-N 2.96Å; H43-I46 VanDerWaalsContact O-N 3.09Å; H43-Y47 PolarHBondContact O-N 2.86Å; H43-Y47 VanDerWaalsContact O-N 3.13Å; H43-Y97 HydrophobicContact CB-CE2 4.43Å; H43-Y97 PolarHBondContact N-OH 2.9Å
44A93.1Very high93.9Very high26 Ų2651.9 Ų51.922%0.21529%0.289CS..THydrogen-bonded Turntrans-59-19.4-174.400000114.4K23 I42K23-A44 PolarHBondContact O-N 3.1Å; I42-A44 VanDerWaalsContact C-N 3.29Å; I42-A44 PolarHBondContact O-N 2.64Å
45L91.6Very high94.5Very high120 Ų12047.5 Ų47.563%0.62827%0.27SS*.THydrogen-bonded Turntrans-68.2-38.3175.9-177.462.5000112.6K23 H43K23-L45 HydrophobicContact CB-CB 4.47Å; K23-L45 HydrophobicContact CD-CD2 4.23Å; K23-L45 HydrophobicContact CG-CD2 4.34Å; H43-L45 PolarHBondContact O-N 3.49Å
46I93Very high94.8Very high117 Ų11742.9 Ų42.960%0.625%0.248SC*.THydrogen-bonded Turntrans-95.4-28.3-178.565.2176.7000111.9H43 Y97H43-I46 HydrophobicContact CB-CD1 4.21Å; H43-I46 HydrophobicContact CB-CG1 4.01Å; H43-I46 WeakPolarHBondContact ND1-CD1 3.35Å; H43-I46 WeakPolarHBondContact ND1-CG1 3.11Å; H43-I46 WeakPolarHBondContact O-CG1 3.28Å; H43-I46 PolarHBondContact O-N 2.96Å; H43-I46 VanDerWaalsContact O-N 3.09Å; I46-Y97 HydrophobicContact CD1-CD2 4.35Å; I46-Y97 HydrophobicContact CD1-CE2 3.91Å; I46-Y97 HydrophobicContact CG1-CD2 4.45Å; I46-Y97 HydrophobicContact CG1-CE2 4.08Å
47Y93Very high94.9Very high24 Ų2442.8 Ų42.89%0.09425%0.247CC..SBendtrans-142.887.9-176.8-169.6-102.2000110.1I42 H43 L49 D96 Y97 I151 K153I42-Y47 VanDerWaalsContact CD1-O 3.25Å; I42-Y47 WeakPolarHBondContact CD1-O 3.22Å; H43-Y47 PolarHBondContact O-N 2.86Å; H43-Y47 VanDerWaalsContact O-N 3.13Å; Y47-L49 HydrophobicContact CD1-CD1 4.41Å; Y47-L49 HydrophobicContact CD1-CG 4.27Å; Y47-L49 HydrophobicContact CE1-CD1 3.86Å; Y47-L49 HydrophobicContact CE1-CD2 4.09Å; Y47-L49 HydrophobicContact CE1-CG 3.85Å; Y47-D96 HydrophobicContact CD2-CB 4.13Å; Y47-D96 HydrophobicContact CE2-CB 3.5Å; Y47-Y97 VanDerWaalsContact CB-CD2 3.43Å; Y47-Y97 HydrophobicContact CD1-CD2 4.12Å; Y47-Y97 HydrophobicContact CD1-CG 4.04Å; Y47-Y97 AromaticContact CG-CD2 3.82Å; Y47-Y97 HydrophobicContact CG-CD2 3.82Å; Y47-Y97 HydrophobicContact CG-CG 4.07Å; Y47-I151 HydrophobicContact CE1-CG2 3.77Å; Y47-K153 WeakPolarHBondContact OH-CA 3.42Å; Y47-K153 VanDerWaalsContact OH-CB 3.29Å; Y47-K153 WeakPolarHBondContact OH-CB 3.46Å; Y47-K153 PolarHBondContact OH-N 2.86Å
48G91Very high94.8Very high50 Ų5041.8 Ų41.852%0.51524%0.237SC..  trans-82.9126.4-178.200000112.4
49L93.7Very high94.6Very high12 Ų1241.7 Ų41.76%0.06324%0.236CC..  trans-114.9137.6169.3-71.7173.2000110V11 L27 I42 Y47 D53 F55 K153V11-L49 HydrophobicContact CG2-CB 4.41Å; L27-L49 HydrophobicContact CD1-CB 4.21Å; L27-L49 HydrophobicContact CD1-CD1 3.57Å; L27-L49 HydrophobicContact CD1-CG 4.5Å; L27-L49 HydrophobicContact CD2-CB 4.21Å; I42-L49 HydrophobicContact CD1-CB 4.26Å; I42-L49 HydrophobicContact CD1-CD1 4.45Å; I42-L49 HydrophobicContact CD1-CG 4.45Å; Y47-L49 HydrophobicContact CD1-CD1 4.41Å; Y47-L49 HydrophobicContact CD1-CG 4.27Å; Y47-L49 HydrophobicContact CE1-CD1 3.86Å; Y47-L49 HydrophobicContact CE1-CD2 4.09Å; Y47-L49 HydrophobicContact CE1-CG 3.85Å; L49-D53 HydrophobicContact CD2-CB 4.09Å; L49-F55 HydrophobicContact CD1-CD1 3.8Å; L49-F55 HydrophobicContact CD1-CE1 4.05Å; L49-F55 HydrophobicContact CD1-CG 4.33Å; L49-K153 HydrophobicContact CD2-CD 4.09Å; L49-K153 HydrophobicContact CD2-CG 4.25Å
50S93.5Very high94.2Very high74 Ų7439.6 Ų39.652%0.51723%0.225SC..  trans-108.9157.4178.3-62.70000110.8G52 D53S50-G52 PolarHBondContact O-N 2.99Å; S50-D53 PolarHBondContact N-OD2 2.83Å; S50-D53 VanDerWaalsContact O-CB 3.22Å; S50-D53 WeakPolarHBondContact O-CB 3.44Å; S50-D53 PolarHBondContact O-N 2.87Å
51K94.9Very high93.6Very high140 Ų14044.5 Ų44.561%0.60925%0.247SC*.THydrogen-bonded Turntrans-54.9131.6171.3179.5170.5-179.51590110.8K12 D53K12-K51 WeakPolarHBondContact O-CD 3.19Å; K12-K51 WeakPolarHBondContact O-CE 3.24Å; K12-K51 WeakPolarHBondContact O-CG 3.5Å; K12-K51 PolarHBondContact O-NZ 3.34Å; K51-D53 VanDerWaalsContact C-N 3.33Å
52G94.4Very high92.8Very high50 Ų5046.7 Ų46.752%0.51526%0.261SS..THydrogen-bonded Turntrans87.9-8.7-175.700000114.7V11 S50V11-G52 PolarHBondContact O-N 3.29Å; S50-G52 PolarHBondContact O-N 2.99Å
53D95.8Very high91.6Very high32 Ų3247.4 Ų47.417%0.17126%0.264CS..  trans-66.3148.7170.4-75-29000110.5V11 L49 S50 K51 K153V11-D53 HydrophobicContact CG2-CB 4.3Å; V11-D53 WeakPolarHBondContact CG2-O 3.06Å; V11-D53 PolarHBondContact N-O 3Å; L49-D53 HydrophobicContact CD2-CB 4.09Å; S50-D53 PolarHBondContact N-OD2 2.83Å; S50-D53 VanDerWaalsContact O-CB 3.22Å; S50-D53 WeakPolarHBondContact O-CB 3.44Å; S50-D53 PolarHBondContact O-N 2.87Å; K51-D53 VanDerWaalsContact C-N 3.33Å; D53-K153 VanDerWaalsContact OD1-CE 3.24Å; D53-K153 WeakPolarHBondContact OD1-CE 3.49Å; D53-K153 IonicContact OD1-NZ 2.9Å; D53-K153 PolarHBondContact OD1-NZ 2.84Å; D53-K153 WeakPolarHBondContact OD2-CE 3.4Å; D53-K153 IonicContact OD2-NZ 2.7Å; D53-K153 PolarHBondContact OD2-NZ 2.77Å
54K96.2Very high90.2Very high51 Ų5147.7 Ų47.722%0.22227%0.267CS..EExtended strand (participates in β ladder)trans-114.8144.4170.6-63.7-176.3-178.7-170.90110.2I8 F9 D10 E32 L154 F156I8-K54 HydrophobicContact CG2-CB 4.43Å; F9-K54 WeakPolarHBondContact O-CA 3.3Å; D10-K54 HydrophobicContact CB-CG 4.35Å; D10-K54 WeakPolarHBondContact OD2-CE 3.47Å; E32-K54 VanDerWaalsContact OE1-CE 3.28Å; E32-K54 WeakPolarHBondContact OE1-CE 3.42Å; E32-K54 IonicContact OE1-NZ 2.83Å; E32-K54 PolarHBondContact OE1-NZ 2.86Å; K54-L154 HydrophobicContact CB-CB 4.37Å; K54-L154 HydrophobicContact CB-CD1 4.38Å; K54-L154 PolarHBondContact O-N 2.81Å; K54-F156 HydrophobicContact CB-CD2 4.34Å; K54-F156 HydrophobicContact CB-CE2 3.96Å; K54-F156 HydrophobicContact CD-CD2 4.16Å; K54-F156 HydrophobicContact CD-CE2 3.64Å; K54-F156 HydrophobicContact CD-CZ 4.29Å; K54-F156 HydrophobicContact CG-CE2 4.31Å
55F96Very high88.5Confident0 Ų050.5 Ų50.50%028%0.279CS..EExtended strand (participates in β ladder)trans-141.9145.8175.762.8-89.1000111.3I8 F9 V11 C29 L38 L49 M57 I151 K152I8-F55 WeakPolarHBondContact CA-O 3.29Å; F9-F55 HydrophobicContact CB-CD1 4.47Å; F9-F55 HydrophobicContact CB-CD2 4.35Å; F9-F55 HydrophobicContact CB-CE1 3.92Å; F9-F55 HydrophobicContact CB-CE2 3.81Å; F9-F55 HydrophobicContact CB-CZ 3.57Å; F9-F55 HydrophobicContact CD2-CE2 4.45Å; F9-F55 HydrophobicContact CG-CE2 4.4Å; F9-F55 HydrophobicContact CG-CZ 4.36Å; F9-F55 PolarHBondContact N-O 2.89Å; F9-F55 PolarHBondContact O-N 2.85Å; V11-F55 HydrophobicContact CG2-CD1 3.94Å; V11-F55 HydrophobicContact CG2-CE1 3.68Å; C29-F55 HydrophobicContact CB-CE1 4.4Å; C29-F55 HydrophobicContact CB-CZ 4.34Å; L38-F55 HydrophobicContact CD2-CE2 4.13Å; L38-F55 HydrophobicContact CD2-CZ 3.83Å; L49-F55 HydrophobicContact CD1-CD1 3.8Å; L49-F55 HydrophobicContact CD1-CE1 4.05Å; L49-F55 HydrophobicContact CD1-CG 4.33Å; F55-M57 HydrophobicContact CD2-CB 4.19Å; F55-M57 HydrophobicContact CE2-CB 4.03Å; F55-I151 HydrophobicContact CB-CG2 3.9Å; F55-I151 HydrophobicContact CD2-CD1 4.45Å; F55-I151 HydrophobicContact CD2-CG1 4.29Å; F55-I151 HydrophobicContact CD2-CG2 3.59Å; F55-I151 HydrophobicContact CE2-CD1 4.22Å; F55-I151 HydrophobicContact CE2-CG1 4.41Å; F55-I151 HydrophobicContact CE2-CG2 4.36Å; F55-I151 HydrophobicContact CG-CG2 3.95Å; F55-K152 CarbonylContact C-O 3.6Å; F55-K152 VanDerWaalsContact CA-O 3.27Å; F55-K152 WeakPolarHBondContact CA-O 3.44Å; F55-K152 WeakPolarHBondContact CB-O 3.39Å
56R95.2Very high86.6Confident65 Ų6552.6 Ų52.625%0.24529%0.286CS..EExtended strand (participates in β ladder)trans-83.1129.9168-177.6178.1177.5-161.3-3.2108.1E6 I151 K152 L154E6-R56 IonicContact OE1-CZ 2.64Å; E6-R56 IonicContact OE1-NE 3.71Å; E6-R56 PolarHBondContact OE1-NE 2.79Å; E6-R56 IonicContact OE1-NH2 3.02Å; E6-R56 PolarHBondContact OE1-NH2 3.05Å; E6-R56 IonicContact OE2-CZ 3.24Å; E6-R56 IonicContact OE2-NH2 3.9Å; E6-R56 PolarHBondContact OE2-NH2 2.88Å; R56-I151 WeakPolarHBondContact O-CA 3.41Å; R56-K152 PolarHBondContact N-O 3.38Å; R56-K152 PolarHBondContact O-N 3.35Å; R56-L154 HydrophobicContact CB-CD2 4.44Å
57M94.8Very high84.1Confident0 Ų056.1 Ų56.10%030%0.304CS..EExtended strand (participates in β ladder)trans-117135.2175.5-171.7-178.680.500109.9L5 E6 D7 F9 L38 F55 L59 L149 M150 I151L5-M57 HydrophobicContact CD2-CE 3.74Å; E6-M57 WeakPolarHBondContact CA-O 3.3Å; D7-M57 PolarHBondContact N-O 2.95Å; D7-M57 VanDerWaalsContact N-O 3.12Å; D7-M57 PolarHBondContact O-N 3.32Å; F9-M57 HydrophobicContact CD2-CB 3.92Å; F9-M57 HydrophobicContact CD2-CE 4.2Å; F9-M57 HydrophobicContact CD2-SD 4.42Å; F9-M57 HydrophobicContact CE2-CB 4.17Å; F9-M57 HydrophobicContact CE2-CE 3.42Å; F9-M57 VanDerWaalsContact CE2-CE 3.42Å; F9-M57 HydrophobicContact CE2-SD 4.2Å; F9-M57 HydrophobicContact CZ-CE 3.86Å; L38-M57 HydrophobicContact CD1-SD 4.35Å; L38-M57 HydrophobicContact CD2-CE 4.4Å; L38-M57 HydrophobicContact CD2-SD 3.71Å; F55-M57 HydrophobicContact CD2-CB 4.19Å; F55-M57 HydrophobicContact CE2-CB 4.03Å; M57-L59 HydrophobicContact CE-CD1 3.93Å; M57-L59 HydrophobicContact CE-CG 4.07Å; M57-L149 HydrophobicContact CG-CD1 3.51Å; M57-L149 HydrophobicContact SD-CD1 3.66Å; M57-M150 CarbonylContact C-O 3.5Å; M57-M150 WeakPolarHBondContact CA-O 3.27Å; M57-I151 HydrophobicContact CG-CG1 4.15Å
58V93Very high81.5Confident0 Ų057.3 Ų57.30%032%0.324CS..EExtended strand (participates in β ladder)trans-126.2132.31711790000109.5M1 A3 L5 E6 F95 M150M1-V58 HydrophobicContact CE-CG1 4.17Å; M1-V58 HydrophobicContact SD-CG1 4.18Å; A3-V58 HydrophobicContact CB-CG1 4.05Å; L5-V58 WeakPolarHBondContact O-CA 3.25Å; E6-V58 HydrophobicContact CB-CG2 4.17Å; E6-V58 HydrophobicContact CG-CG2 3.83Å; V58-F95 HydrophobicContact CB-CE1 4.27Å; V58-F95 HydrophobicContact CB-CZ 4.05Å; V58-F95 HydrophobicContact CG2-CE1 3.82Å; V58-F95 HydrophobicContact CG2-CZ 3.5Å; V58-M150 HydrophobicContact CB-CB 4.42Å; V58-M150 HydrophobicContact CB-CE 3.86Å; V58-M150 HydrophobicContact CG1-CE 3.52Å; V58-M150 PolarHBondContact N-O 3.36Å; V58-M150 PolarHBondContact O-N 3.41Å
59L92.6Very high78.9Confident0 Ų061.5 Ų61.50%034%0.34CS..EExtended strand (participates in β ladder)trans-111.1126.4169.9-61.6175.5000108.9L4 L5 M57 M129 L131 F141 L147 Y148 L149L4-L59 WeakPolarHBondContact CB-O 3.48Å; L4-L59 PolarHBondContact N-O 2.85Å; L5-L59 HydrophobicContact CB-CB 4.12Å; L5-L59 HydrophobicContact CB-CD1 4.19Å; L5-L59 HydrophobicContact CB-CG 4.41Å; L5-L59 HydrophobicContact CD2-CD1 3.94Å; L5-L59 PolarHBondContact N-O 3.49Å; L5-L59 PolarHBondContact O-N 2.94Å; M57-L59 HydrophobicContact CE-CD1 3.93Å; M57-L59 HydrophobicContact CE-CG 4.07Å; L59-M129 HydrophobicContact CD1-CE 4.03Å; L59-M129 HydrophobicContact CD2-CE 4.49Å; L59-L131 HydrophobicContact CD1-CD2 4.12Å; L59-F141 HydrophobicContact CB-CZ 4.43Å; L59-F141 HydrophobicContact CD1-CE1 3.83Å; L59-F141 HydrophobicContact CD1-CZ 3.62Å; L59-L147 HydrophobicContact CD2-CD1 3.86Å; L59-Y148 WeakPolarHBondContact CA-O 3.24Å; L59-L149 HydrophobicContact CD2-CB 4.01Å; L59-L149 HydrophobicContact CD2-CD1 3.61Å; L59-L149 HydrophobicContact CD2-CG 4.45Å
60T89.8Confident76.4Confident1 Ų168.3 Ų68.31%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-141.2155-179.2-175.70000111.5T62 L147 Y148 M150T60-T62 WeakPolarHBondContact CG2-O 3.24Å; T60-T62 PolarHBondContact OG1-N 2.74Å; T60-T62 PolarHBondContact OG1-O 2.58Å; T60-L147 CarbonylContact O-C 3.48Å; T60-L147 WeakPolarHBondContact O-CA 3.37Å; T60-Y148 PolarHBondContact N-O 3.28Å; T60-Y148 VanDerWaalsContact N-O 3.07Å; T60-Y148 PolarHBondContact O-N 3.09Å; T60-M150 HydrophobicContact CG2-CE 3.5Å
61K86.4Confident74.1Confident104 Ų10468.4 Ų68.445%0.45238%0.382SS..SBendtrans-84.7-28.7171.8-64.8-178.5176.1171.60112.8L4L4-K61 HydrophobicContact CD1-CD 4.45Å; L4-K61 HydrophobicContact CD1-CG 3.73Å; L4-K61 HydrophobicContact CG-CG 4.21Å
62T79.4Confident71.6Confident61 Ų6167 Ų6737%0.37438%0.381SS..  trans-129.2143.9-176.3179.60000110.8T60 L64T60-T62 WeakPolarHBondContact CG2-O 3.24Å; T60-T62 PolarHBondContact OG1-N 2.74Å; T60-T62 PolarHBondContact OG1-O 2.58Å; T62-L64 PolarHBondContact OG1-N 2.84Å
63L70.9Confident69Low15 Ų1570.4 Ų70.48%0.07939%0.387CS..SBendtrans-87.1-26.9176.1-66.2177.5000112.3M92 Y148 M150L63-M92 HydrophobicContact CD1-SD 4.37Å; L63-Y148 HydrophobicContact CD1-CD1 3.87Å; L63-Y148 HydrophobicContact CD1-CE1 3.47Å; L63-Y148 VanDerWaalsContact CD1-CE1 3.47Å; L63-Y148 HydrophobicContact CD1-CE2 4.26Å; L63-Y148 HydrophobicContact CD1-CG 4.4Å; L63-Y148 HydrophobicContact CD2-CD1 3.66Å; L63-Y148 HydrophobicContact CD2-CD2 3.95Å; L63-Y148 HydrophobicContact CD2-CE1 4.13Å; L63-Y148 HydrophobicContact CD2-CE2 4.4Å; L63-Y148 HydrophobicContact CD2-CG 3.54Å; L63-Y148 HydrophobicContact CG-CD1 3.85Å; L63-Y148 HydrophobicContact CG-CD2 3.85Å; L63-Y148 HydrophobicContact CG-CE1 3.8Å; L63-Y148 HydrophobicContact CG-CE2 3.8Å; L63-Y148 HydrophobicContact CG-CG 3.87Å; L63-M150 HydrophobicContact CD2-SD 4.21Å
64L66.8Low66.6Low59 Ų5976.4 Ų76.431%0.30942%0.419SS..  trans-81.7140.9-177-76137.5000111.3T62 E66 E82T62-L64 PolarHBondContact OG1-N 2.84Å; L64-E66 VanDerWaalsContact C-N 3.25Å; L64-E66 PolarHBondContact O-N 3.18Å; L64-E82 WeakPolarHBondContact CD1-OE1 3.4Å
65N57.6Low63.9Low86 Ų8680.2 Ų80.246%0.4644%0.442SS..SBendtrans-74.6-17.5178-87.4-28.8000113.1
66E50.4Low61.4Low164 Ų16488.8 Ų88.877%0.76648%0.482SS*.SBendtrans-89.5135.1-173.5-60.7-162.2146.400111.5L64 G68L64-E66 VanDerWaalsContact C-N 3.25Å; L64-E66 PolarHBondContact O-N 3.18Å; E66-G68 PolarHBondContact O-N 3.06Å
67L40.2Very low58.8Low190 Ų19092.6 Ų92.6100%0.99551%0.507SS*.  trans-6974.6-179.3-16680.6000109.3
68G39.7Very low56.5Low49 Ų4999 Ų9951%0.50554%0.541SS..  trans-127.1112.8179.200000109.4E66E66-G68 PolarHBondContact O-N 3.06Å
69T36.6Very low54.6Low138 Ų138102.1 Ų102.185%0.84757%0.568SS**  trans65.999.3174.131.40000116A71T69-A71 PolarHBondContact O-N 3Å
70D41.1Very low52.4Low156 Ų156106.6 Ų106.683%0.83461%0.605SS**  trans-50.693.9145.7-69.8-55.1000107.6D72D70-D72 PolarHBondContact O-N 3.29Å
71A44.3Very low50.4Low76 Ų76113 Ų11363%0.62864%0.639SS**  trans-7168.4169.500000108.7T69 K145T69-A71 PolarHBondContact O-N 3Å; A71-K145 PolarHBondContact O-NZ 3.29Å
72D43.4Very low48.8Very low109 Ų109110.3 Ų110.358%0.58363%0.628SS**  trans-80.5-4.5160.4-104.8-20.6000111.8D70 K145D70-D72 PolarHBondContact O-N 3.29Å; D72-K145 IonicContact OD1-NZ 2.58Å
73D40Very low47.5Very low123 Ų123111.1 Ų111.166%0.65863%0.633SS**SBendtrans-95.3137.1174.3-70.8-40.7000112.2D75D73-D75 PolarHBondContact O-N 2.97Å
74D43.5Very low46.8Very low157 Ų157117.2 Ų117.284%0.8467%0.665SS**  trans-66.843.9179.3-75.6-44.3000112.9E76D74-E76 PolarHBondContact O-N 2.87Å
75D40.6Very low46.3Very low131 Ų131122 Ų12270%0.70169%0.686SS**  trans-87.8102.4-179.3-67.3-41.6000110.1D73 D77D73-D75 PolarHBondContact O-N 2.97Å; D75-D77 PolarHBondContact O-N 2.9Å; D75-D77 VanDerWaalsContact O-N 3.09Å
76E43.8Very low46.2Very low181 Ų181123.5 Ų123.585%0.84669%0.689SS**THydrogen-bonded Turntrans-64.94.3178.2-83.4-178152.400114.7D74D74-E76 PolarHBondContact O-N 2.87Å
77D40.9Very low46.7Very low145 Ų145117.7 Ų117.778%0.77566%0.662SS**THydrogen-bonded Turntrans-115.8-4.5-159-85.4-28.4000118.1D75 A79D75-D77 PolarHBondContact O-N 2.9Å; D75-D77 VanDerWaalsContact O-N 3.09Å; D77-A79 PolarHBondContact O-N 2.84Å
78D46.5Very low47.5Very low133 Ų133111.9 Ų111.971%0.71164%0.642SS**THydrogen-bonded Turntrans-94.810.9-170.1-99.3-20.3000116.8A80D78-A80 VanDerWaalsContact C-N 3.28Å; D78-A80 PolarHBondContact O-N 2.8Å
79A52.1Low48.5Very low67 Ų67116.2 Ų116.255%0.55465%0.654SS**THydrogen-bonded Turntrans-80.5-1.1-179.800000114.7D77D77-A79 PolarHBondContact O-N 2.84Å
80A47.5Very low50Low94 Ų94110 Ų11078%0.77762%0.616SS**SBendtrans-121.2-13.4-168.400000116D78D78-A80 VanDerWaalsContact C-N 3.28Å; D78-A80 PolarHBondContact O-N 2.8Å
81D47.1Very low51.2Low134 Ų134105.6 Ų105.672%0.71759%0.589SS**  trans-104.126.9-175.7-145.514.3000113.6T83D81-T83 PolarHBondContact O-N 2.85Å
82E52.7Low52.7Low49 Ų49104.2 Ų104.223%0.22957%0.57CS.*  trans-84.888.3169.7-59.5-153.4146.800109.2L64 D84 L87L64-E82 WeakPolarHBondContact CD1-OE1 3.4Å; E82-D84 PolarHBondContact O-N 2.88Å; E82-L87 HydrophobicContact CB-CD1 3.6Å; E82-L87 HydrophobicContact CG-CD1 4.42Å; E82-L87 WeakPolarHBondContact OE2-CD1 3.27Å
83T52.5Low54.3Low78 Ų78102.4 Ų102.448%0.47957%0.571SS.*  trans-43.8133.5170.936.70000111.5D81 E85 K86 L87D81-T83 PolarHBondContact O-N 2.85Å; T83-E85 PolarHBondContact O-N 2.8Å; T83-K86 PolarHBondContact O-N 2.88Å; T83-L87 PolarHBondContact O-N 3.24Å
84D56.1Low56.4Low142 Ų142101.1 Ų101.176%0.75956%0.561SS**Hα-helixtrans-44.3-33.2-176.4-95.6-34.4000113.9E82 L87 A88E82-D84 PolarHBondContact O-N 2.88Å; D84-L87 WeakPolarHBondContact O-CB 3.36Å; D84-L87 PolarHBondContact O-N 3.04Å; D84-A88 PolarHBondContact O-N 3Å; D84-A88 VanDerWaalsContact O-N 3.1Å
85E56.3Low58.6Low160 Ų16094.4 Ų94.475%0.74852%0.524SS*.Hα-helixtrans-71.9-33.2179.3-62.9-170.3132.700114.4T83 L87 N89T83-E85 PolarHBondContact O-N 2.8Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-N89 PolarHBondContact O-ND2 2.63Å
86K56.3Low61Low118 Ų11892.8 Ų92.851%0.51352%0.516SS..Hα-helixtrans-71.1-36.8173.7-78.6-176.6175.7179.20110.7T83 N89 S90T83-K86 PolarHBondContact O-N 2.88Å; K86-N89 PolarHBondContact O-N 3.29Å; K86-S90 PolarHBondContact O-N 2.94Å
87L58.9Low63.4Low41 Ų4184.9 Ų84.922%0.21548%0.478CS..Hα-helixtrans-63.4-42.2178-132.775.3000111.9E82 T83 D84 E85 N89 S90 M92E82-L87 HydrophobicContact CB-CD1 3.6Å; E82-L87 HydrophobicContact CG-CD1 4.42Å; E82-L87 WeakPolarHBondContact OE2-CD1 3.27Å; T83-L87 PolarHBondContact O-N 3.24Å; D84-L87 WeakPolarHBondContact O-CB 3.36Å; D84-L87 PolarHBondContact O-N 3.04Å; E85-L87 VanDerWaalsContact C-N 3.34Å; L87-N89 VanDerWaalsContact C-N 3.25Å; L87-N89 PolarHBondContact O-N 2.92Å; L87-S90 WeakPolarHBondContact O-CB 3.44Å; L87-S90 PolarHBondContact O-N 3.17Å; L87-S90 PolarHBondContact O-OG 3.05Å; L87-M92 HydrophobicContact CD1-CE 4.32Å; L87-M92 HydrophobicContact CD1-SD 3.89Å; L87-M92 HydrophobicContact CD2-CE 3.2Å; L87-M92 HydrophobicContact CD2-SD 3.89Å; L87-M92 HydrophobicContact CG-CE 3.44Å; L87-M92 VanDerWaalsContact CG-CE 3.44Å; L87-M92 HydrophobicContact CG-SD 3.42Å; L87-M92 WeakPolarHBondContact CG-SD 3.42Å
88A58.9Low65.8Low68 Ų6880.7 Ų80.756%0.56246%0.457SS*.Hα-helixtrans-62.7-28.7177.800000113.8D84D84-A88 PolarHBondContact O-N 3Å; D84-A88 VanDerWaalsContact O-N 3.1Å
89N59.9Low68.1Low141 Ų14175.3 Ų75.375%0.75443%0.43SS*.THydrogen-bonded Turntrans-93.3-2175-75.5-54000113.4E85 K86 L87E85-N89 PolarHBondContact O-ND2 2.63Å; K86-N89 PolarHBondContact O-N 3.29Å; L87-N89 VanDerWaalsContact C-N 3.25Å; L87-N89 PolarHBondContact O-N 2.92Å
90S67.4Low70Confident8 Ų877 Ų776%0.05642%0.423CS..SBendtrans-81.4153.2177.3106.80000109.8K86 L87 M92 A93K86-S90 PolarHBondContact O-N 2.94Å; L87-S90 WeakPolarHBondContact O-CB 3.44Å; L87-S90 PolarHBondContact O-N 3.17Å; L87-S90 PolarHBondContact O-OG 3.05Å; S90-M92 PolarHBondContact O-N 3.38Å; S90-M92 WeakPolarHBondContact OG-CB 3.24Å; S90-M92 WeakPolarHBondContact OG-CG 3.36Å; S90-M92 PolarHBondContact OG-N 3.05Å; S90-M92 PolarHBondContact OG-SD 2.95Å; S90-M92 VanDerWaalsContact OG-SD 3.38Å; S90-A93 WeakPolarHBondContact O-CB 3.44Å; S90-A93 PolarHBondContact O-N 2.83Å; S90-A93 VanDerWaalsContact O-N 3.12Å
91K67.9Low72.3Confident62 Ų6272.8 Ų72.827%0.2739%0.388SS..G310 helixtrans-60.6-13.7180-101.8-173.5172-169.20113.3M1 A93 E94 F95M1-K91 HydrophobicContact CE-CB 4.29Å; M1-K91 HydrophobicContact CE-CD 3.25Å; M1-K91 HydrophobicContact CE-CG 4.41Å; K91-A93 PolarHBondContact O-N 2.79Å; K91-E94 WeakPolarHBondContact O-CB 3.32Å; K91-E94 PolarHBondContact O-N 3.02Å; K91-F95 VanDerWaalsContact O-CD2 3.26Å; K91-F95 WeakPolarHBondContact O-CD2 3.05Å
92M74.6Confident74.6Confident47 Ų4770.8 Ų70.823%0.23237%0.374CS..G310 helixtrans-61.7-26.7176.282.6-172.9-119.200112.7L63 L87 S90 E94 F95 V98 M150L63-M92 HydrophobicContact CD1-SD 4.37Å; L87-M92 HydrophobicContact CD1-CE 4.32Å; L87-M92 HydrophobicContact CD1-SD 3.89Å; L87-M92 HydrophobicContact CD2-CE 3.2Å; L87-M92 HydrophobicContact CD2-SD 3.89Å; L87-M92 HydrophobicContact CG-CE 3.44Å; L87-M92 VanDerWaalsContact CG-CE 3.44Å; L87-M92 HydrophobicContact CG-SD 3.42Å; L87-M92 WeakPolarHBondContact CG-SD 3.42Å; S90-M92 PolarHBondContact O-N 3.38Å; S90-M92 WeakPolarHBondContact OG-CB 3.24Å; S90-M92 WeakPolarHBondContact OG-CG 3.36Å; S90-M92 PolarHBondContact OG-N 3.05Å; S90-M92 PolarHBondContact OG-SD 2.95Å; S90-M92 VanDerWaalsContact OG-SD 3.38Å; M92-E94 PolarHBondContact O-N 2.81Å; M92-E94 VanDerWaalsContact O-N 3.11Å; M92-F95 PolarHBondContact O-N 3.47Å; M92-V98 HydrophobicContact CB-CG2 4.34Å; M92-M150 HydrophobicContact CB-SD 4.42Å
93A76.3Confident76.6Confident72 Ų7268.6 Ų68.660%0.59536%0.363SS*.G310 helixtrans-61.5-18.3175.700000112.7S90 K91S90-A93 WeakPolarHBondContact O-CB 3.44Å; S90-A93 PolarHBondContact O-N 2.83Å; S90-A93 VanDerWaalsContact O-N 3.12Å; K91-A93 PolarHBondContact O-N 2.79Å
94E84.2Confident78.7Confident95 Ų9569.9 Ų69.944%0.44436%0.36SS..G310 helixtrans-85.7-13176.1-60.2178.9-168.800113.5K91 M92 K152K91-E94 WeakPolarHBondContact O-CB 3.32Å; K91-E94 PolarHBondContact O-N 3.02Å; M92-E94 PolarHBondContact O-N 2.81Å; M92-E94 VanDerWaalsContact O-N 3.11Å; E94-K152 VanDerWaalsContact O-CD 3.24Å; E94-K152 WeakPolarHBondContact O-CD 3.18Å; E94-K152 WeakPolarHBondContact O-CE 3.18Å; E94-K152 PolarHBondContact O-NZ 3.35Å
95F90.1Very high80.5Confident17 Ų1769 Ų698%0.07535%0.346CS..  trans-109.3145.7-174.3-66.8-93000111.6V58 K91 M92 V98 M150 K152V58-F95 HydrophobicContact CB-CE1 4.27Å; V58-F95 HydrophobicContact CB-CZ 4.05Å; V58-F95 HydrophobicContact CG2-CE1 3.82Å; V58-F95 HydrophobicContact CG2-CZ 3.5Å; K91-F95 VanDerWaalsContact O-CD2 3.26Å; K91-F95 WeakPolarHBondContact O-CD2 3.05Å; M92-F95 PolarHBondContact O-N 3.47Å; F95-V98 HydrophobicContact CB-CG2 4.38Å; F95-M150 HydrophobicContact CB-CB 4.06Å; F95-M150 HydrophobicContact CD1-CB 3.71Å; F95-M150 HydrophobicContact CD2-CB 3.88Å; F95-M150 HydrophobicContact CD2-CG 4.47Å; F95-M150 HydrophobicContact CD2-SD 4.1Å; F95-M150 HydrophobicContact CE1-CB 4.09Å; F95-M150 HydrophobicContact CE2-CB 4.27Å; F95-M150 HydrophobicContact CE2-CE 4.41Å; F95-M150 HydrophobicContact CE2-SD 4.3Å; F95-M150 HydrophobicContact CG-CB 3.61Å; F95-M150 HydrophobicContact CZ-CB 4.37Å; F95-K152 HydrophobicContact CD1-CB 3.8Å; F95-K152 HydrophobicContact CE1-CB 4.34Å
96D91Very high82.3Confident97 Ų9764.2 Ų64.252%0.51933%0.325SS..SBendtrans-88.7-23.4-174.3-54.7-46.1000112.1Y47 I151 K152 K153Y47-D96 HydrophobicContact CD2-CB 4.13Å; Y47-D96 HydrophobicContact CE2-CB 3.5Å; D96-I151 PolarHBondContact N-O 2.84Å; D96-K152 WeakPolarHBondContact OD2-CG 3.06Å; D96-K153 PolarHBondContact OD2-N 3.46Å
97Y93.6Very high84Confident14 Ų1461.5 Ų61.56%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-139.2123.8-176.2-172.6-93.8000110.4H43 I46 Y47 C99 M150 I151H43-Y97 HydrophobicContact CB-CE2 4.43Å; H43-Y97 PolarHBondContact N-OH 2.9Å; I46-Y97 HydrophobicContact CD1-CD2 4.35Å; I46-Y97 HydrophobicContact CD1-CE2 3.91Å; I46-Y97 HydrophobicContact CG1-CD2 4.45Å; I46-Y97 HydrophobicContact CG1-CE2 4.08Å; Y47-Y97 VanDerWaalsContact CB-CD2 3.43Å; Y47-Y97 HydrophobicContact CD1-CD2 4.12Å; Y47-Y97 HydrophobicContact CD1-CG 4.04Å; Y47-Y97 AromaticContact CG-CD2 3.82Å; Y47-Y97 HydrophobicContact CG-CD2 3.82Å; Y47-Y97 HydrophobicContact CG-CG 4.07Å; Y97-C99 WeakPolarHBondContact CE1-SG 3.47Å; Y97-C99 VanDerWaalsContact CZ-SG 3.53Å; Y97-C99 PolarHBondContact OH-SG 3Å; Y97-M150 CarbonylContact O-C 3.55Å; Y97-M150 WeakPolarHBondContact O-CA 3.48Å; Y97-I151 HydrophobicContact CD1-CD1 4.31Å; Y97-I151 PolarHBondContact N-O 2.84Å; Y97-I151 PolarHBondContact O-N 2.82Å
98V92.5Very high85.3Confident57 Ų5763.7 Ų63.735%0.34533%0.329SS..EExtended strand (participates in β ladder)trans-129.2137.3-178.2-1750000109.9M92 F95 L149 M150M92-V98 HydrophobicContact CB-CG2 4.34Å; F95-V98 HydrophobicContact CB-CG2 4.38Å; V98-L149 CarbonylContact C-O 3.52Å; V98-L149 VanDerWaalsContact CA-O 3.24Å; V98-L149 WeakPolarHBondContact CA-O 3.41Å; V98-M150 HydrophobicContact CG1-CG 4.1Å; V98-M150 HydrophobicContact CG2-CG 4.14Å
99C93.7Very high86.1Confident21 Ų2165 Ų6514%0.14232%0.324CS..EExtended strand (participates in β ladder)trans-136.8145.5175.8-72.20000110.6Y97 F124 Y148 L149Y97-C99 WeakPolarHBondContact CE1-SG 3.47Å; Y97-C99 VanDerWaalsContact CZ-SG 3.53Å; Y97-C99 PolarHBondContact OH-SG 3Å; C99-F124 HydrophobicContact CB-CB 4.06Å; C99-F124 HydrophobicContact CB-CD1 3.53Å; C99-F124 HydrophobicContact CB-CE1 4.16Å; C99-F124 HydrophobicContact CB-CG 3.89Å; C99-Y148 CarbonylContact O-C 3.57Å; C99-Y148 WeakPolarHBondContact O-CA 3.29Å; C99-L149 HydrophobicContact CB-CB 4.23Å; C99-L149 HydrophobicContact CB-CD2 4.37Å; C99-L149 PolarHBondContact N-O 2.85Å; C99-L149 PolarHBondContact O-N 3.05Å
100Y93.5Very high86.2Confident102 Ų10264.4 Ų64.440%0.432%0.321SS..EExtended strand (participates in β ladder)trans-109.5135.7171.3-179.9-108.2000110.1H146 Y148Y100-H146 HydrophobicContact CE1-CB 4.46Å; Y100-H146 AromaticContact CE1-CD2 3.8Å; Y100-H146 HydrophobicContact CE2-CB 3.69Å; Y100-H146 AromaticContact CZ-CD2 3.68Å; Y100-H146 AromaticContact CZ-CG 3.69Å; Y100-H146 WeakPolarHBondContact OH-CB 3.24Å; Y100-H146 PolarHBondContact OH-CD2 2.79Å; Y100-Y148 AromaticContact CD2-CD1 3.67Å; Y100-Y148 HydrophobicContact CD2-CD1 3.67Å; Y100-Y148 HydrophobicContact CD2-CD2 4.18Å; Y100-Y148 AromaticContact CD2-CE1 3.3Å; Y100-Y148 HydrophobicContact CD2-CE1 3.3Å; Y100-Y148 AromaticContact CD2-CE2 3.85Å; Y100-Y148 HydrophobicContact CD2-CE2 3.85Å; Y100-Y148 HydrophobicContact CD2-CG 4.1Å; Y100-Y148 AromaticContact CD2-CZ 3.41Å; Y100-Y148 VanDerWaalsContact CD2-CZ 3.41Å; Y100-Y148 HydrophobicContact CE2-CD2 4.47Å; Y100-Y148 HydrophobicContact CE2-CE1 4.04Å; Y100-Y148 AromaticContact CE2-CE2 3.87Å; Y100-Y148 HydrophobicContact CE2-CE2 3.87Å; Y100-Y148 AromaticContact CE2-CZ 3.63Å; Y100-Y148 HydrophobicContact CG-CD1 4.36Å; Y100-Y148 AromaticContact CG-CE1 3.98Å; Y100-Y148 HydrophobicContact CG-CE1 3.98Å
101G94.8Very high85.6Confident5 Ų569.4 Ų69.45%0.05236%0.356CS..EExtended strand (participates in β ladder)trans-159.4177.6-172.700000114.1S123 H146 L147G101-S123 CarbonylContact C-O 3.6Å; G101-S123 WeakPolarHBondContact CA-O 3.42Å; G101-H146 CarbonylContact O-C 3.56Å; G101-H146 VanDerWaalsContact O-CA 3.23Å; G101-H146 WeakPolarHBondContact O-CA 3.4Å; G101-L147 PolarHBondContact N-O 3.03Å; G101-L147 PolarHBondContact O-N 3.37Å
102K94.8Very high85.1Confident93 Ų9368.9 Ų68.940%0.40437%0.368SS..EExtended strand (participates in β ladder)trans-125.8135.8-174.9-175.4172.3-177.8161.70111.6Y104 V122 S123 G144K102-Y104 PolarHBondContact O-N 2.78Å; K102-V122 WeakPolarHBondContact O-CA 3.35Å; K102-S123 PolarHBondContact N-O 3.12Å; K102-S123 PolarHBondContact O-N 2.98Å; K102-G144 VanDerWaalsContact CE-O 3.24Å; K102-G144 WeakPolarHBondContact CE-O 3.23Å
103I95.5Very high84.4Confident3 Ų374 Ų742%0.01540%0.401CS..EExtended strand (participates in β ladder)trans-73.4117.3170.8-54.8166000107.8I106 Y121 V122 F141 R142 G144 K145 L147I103-I106 HydrophobicContact CG2-CD1 4.16Å; I103-I106 HydrophobicContact CG2-CG1 3.96Å; I103-Y121 WeakPolarHBondContact CA-O 3.49Å; I103-V122 HydrophobicContact CG1-CG2 4Å; I103-F141 HydrophobicContact CD1-CB 4.04Å; I103-F141 HydrophobicContact CD1-CD1 3.7Å; I103-F141 HydrophobicContact CD1-CG 4.3Å; I103-F141 HydrophobicContact CG1-CD1 4.36Å; I103-R142 WeakPolarHBondContact CB-O 3.22Å; I103-R142 VanDerWaalsContact CD1-O 3.24Å; I103-R142 WeakPolarHBondContact CD1-O 3.2Å; I103-G144 PolarHBondContact O-N 3.29Å; I103-K145 PolarHBondContact N-O 3.11Å; I103-L147 HydrophobicContact CD1-CD2 3.57Å; I103-L147 HydrophobicContact CG1-CD2 3.26Å
104Y96Very high83.5Confident104 Ų10475.3 Ų75.341%0.40840%0.398SS..EExtended strand (participates in β ladder)trans-110-19.5-176.372.8-91.2000113.5K102 Y121 L128K102-Y104 PolarHBondContact O-N 2.78Å; Y104-Y121 WeakPolarHBondContact CD1-O 3.24Å; Y104-Y121 VanDerWaalsContact CE1-CB 3.48Å; Y104-Y121 VanDerWaalsContact CZ-CB 3.41Å; Y104-Y121 PolarHBondContact N-O 3.25Å; Y104-L128 HydrophobicContact CE1-CD2 4.34Å
105R95Very high82.5Confident125 Ų12574 Ų7447%0.47240%0.404SS..EExtended strand (participates in β ladder)trans-152.8141.3-178.9-174.8-179.4-173.6160.5-0.1110.4E107 Y121R105-E107 HydrophobicContact CG-CG 4.05Å; R105-E107 IonicContact CZ-OE1 3Å; R105-E107 VanDerWaalsContact NE-CD 3.27Å; R105-E107 IonicContact NE-OE1 2.56Å; R105-E107 PolarHBondContact NE-OE1 3.38Å; R105-E107 IonicContact NE-OE2 3.09Å; R105-E107 IonicContact NH2-OE1 3.06Å; R105-E107 PolarHBondContact NH2-OE1 2.99Å; R105-Y121 HydrophobicContact CB-CD2 3.83Å; R105-Y121 HydrophobicContact CB-CG 4.28Å; R105-Y121 HydrophobicContact CG-CD2 3.86Å; R105-Y121 HydrophobicContact CG-CE2 4.25Å; R105-Y121 PolarHBondContact O-N 3.4Å
106I93.5Very high82Confident58 Ų5876.6 Ų76.630%0.29742%0.424SS..EExtended strand (participates in β ladder)trans-131.9133.6168.8-60.9175.6000106.5I103 L118 S119 F141 V143I103-I106 HydrophobicContact CG2-CD1 4.16Å; I103-I106 HydrophobicContact CG2-CG1 3.96Å; I106-L118 HydrophobicContact CG2-CD2 4.34Å; I106-S119 CarbonylContact C-O 3.58Å; I106-S119 WeakPolarHBondContact CA-O 3.08Å; I106-F141 HydrophobicContact CD1-CB 4.09Å; I106-F141 VanDerWaalsContact CD1-O 3.27Å; I106-F141 WeakPolarHBondContact CD1-O 3.35Å; I106-V143 HydrophobicContact CB-CG2 4.18Å; I106-V143 HydrophobicContact CD1-CG2 4Å; I106-V143 HydrophobicContact CG1-CG2 3.82Å
107E92Very high81.8Confident61 Ų6174.2 Ų74.229%0.28541%0.408SS..EExtended strand (participates in β ladder)trans-126.7136.9179.8-63.8-172.4132.600111.1R105 L118 S119 Y121R105-E107 HydrophobicContact CG-CG 4.05Å; R105-E107 IonicContact CZ-OE1 3Å; R105-E107 VanDerWaalsContact NE-CD 3.27Å; R105-E107 IonicContact NE-OE1 2.56Å; R105-E107 PolarHBondContact NE-OE1 3.38Å; R105-E107 IonicContact NE-OE2 3.09Å; R105-E107 IonicContact NH2-OE1 3.06Å; R105-E107 PolarHBondContact NH2-OE1 2.99Å; E107-L118 CarbonylContact O-C 3.52Å; E107-L118 WeakPolarHBondContact O-CA 3.16Å; E107-S119 PolarHBondContact N-O 2.86Å; E107-S119 PolarHBondContact O-N 2.69Å; E107-Y121 HydrophobicContact CB-CE2 4.39Å; E107-Y121 HydrophobicContact CG-CE2 3.9Å; E107-Y121 VanDerWaalsContact OE2-CE2 3.25Å; E107-Y121 WeakPolarHBondContact OE2-CE2 3.47Å; E107-Y121 PolarHBondContact OE2-OH 3.45Å
108T86.5Confident81.7Confident87 Ų8775 Ų7553%0.53441%0.413SS..EExtended strand (participates in β ladder)trans-83.6129.5164.142.60000109.3D110 L118T108-D110 PolarHBondContact O-N 3.11Å; T108-D110 VanDerWaalsContact O-N 3.11Å; T108-D110 PolarHBondContact OG1-OD2 3.07Å; T108-L118 HydrophobicContact CG2-CD2 3.37Å
109Q76.3Confident81.7Confident96 Ų9672.7 Ų72.745%0.44940%0.4SS..  trans-83.287.4174.7-159.917138.500108.8S111 R117Q109-S111 PolarHBondContact O-N 3.25Å; Q109-R117 HydrophobicContact CB-CB 4.45Å; Q109-R117 WeakPolarHBondContact CB-O 3.3Å; Q109-R117 PolarHBondContact N-O 2.8Å
110D61.5Low81.8Confident128 Ų12871.8 Ų71.868%0.68439%0.393SS*.  trans-78.910.7-173.2-80.3-37.5000114.9T108T108-D110 PolarHBondContact O-N 3.11Å; T108-D110 VanDerWaalsContact O-N 3.11Å; T108-D110 PolarHBondContact OG1-OD2 3.07Å
111S54.8Low81.9Confident113 Ų11368.7 Ų68.779%0.7938%0.381SS*.SBendtrans-130.488-170.8-61.10000112.5Q109Q109-S111 PolarHBondContact O-N 3.25Å
112G57.9Low82.1Confident52 Ų5268.4 Ų68.454%0.53638%0.378SS..SBendtrans144.4180169.200000114.4D114 A115G112-D114 PolarHBondContact O-N 3.12Å; G112-A115 PolarHBondContact O-N 3.12Å
113V58.1Low82.2Confident153 Ų15365.7 Ų65.793%0.92737%0.371SS*.THydrogen-bonded Turntrans-56.8-19.6177.8-163.20000112.1
114D59Low82.2Confident100 Ų10066.3 Ų66.354%0.53537%0.374SS..THydrogen-bonded Turntrans-101.342.4-179.8-58.4-51.2000113.1G112 S116 R117G112-D114 PolarHBondContact O-N 3.12Å; D114-S116 PolarHBondContact O-N 3Å; D114-R117 HydrophobicContact CB-CG 4.03Å; D114-R117 PolarHBondContact O-N 3.07Å
115A61.5Low82.1Confident69 Ų6965.5 Ų65.557%0.5740%0.397SS*.THydrogen-bonded Turntrans-592178.100000115G112G112-A115 PolarHBondContact O-N 3.12Å
116S80.7Confident82Confident70 Ų7062 Ų6249%0.4940%0.4SS..THydrogen-bonded Turntrans-100.7-0.3176.965.50000113.9D114 A135D114-S116 PolarHBondContact O-N 3Å; S116-A135 WeakPolarHBondContact O-CB 3.4Å; S116-A135 PolarHBondContact O-N 3.18Å
117R85.9Confident82.1Confident48 Ų4860.8 Ų60.818%0.18139%0.393CS..EExtended strand (participates in β ladder)trans-84.8134.8179.9-66.7-177.578.187.3-7.1112K35 Q109 D114 G133 D134K35-R117 PolarHBondContact O-NH2 2.81Å; Q109-R117 HydrophobicContact CB-CB 4.45Å; Q109-R117 WeakPolarHBondContact CB-O 3.3Å; Q109-R117 PolarHBondContact N-O 2.8Å; D114-R117 HydrophobicContact CB-CG 4.03Å; D114-R117 PolarHBondContact O-N 3.07Å; R117-G133 CarbonylContact C-O 3.5Å; R117-G133 WeakPolarHBondContact CA-O 3.26Å; R117-D134 IonicContact NH1-OD1 3.51Å; R117-D134 PolarHBondContact NH1-OD1 3.02Å
118L91.5Very high82.4Confident31 Ų3160.9 Ų60.916%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-110.3146.5173.5-72.7174.3000109.9I106 E107 T108 T132 G133 A135 L138I106-L118 HydrophobicContact CG2-CD2 4.34Å; E107-L118 CarbonylContact O-C 3.52Å; E107-L118 WeakPolarHBondContact O-CA 3.16Å; T108-L118 HydrophobicContact CG2-CD2 3.37Å; L118-T132 WeakPolarHBondContact O-CA 3.01Å; L118-G133 PolarHBondContact N-O 2.84Å; L118-G133 PolarHBondContact O-N 2.85Å; L118-A135 HydrophobicContact CD1-CB 3.65Å; L118-A135 HydrophobicContact CG-CB 3.99Å; L118-L138 HydrophobicContact CB-CD1 3.67Å; L118-L138 HydrophobicContact CD1-CB 4.29Å
119S93.5Very high82.9Confident8 Ų856.9 Ų56.96%0.05637%0.371CS..EExtended strand (participates in β ladder)trans-114.5117.8168.1-63.50000109.5I106 E107 L131 T132I106-S119 CarbonylContact C-O 3.58Å; I106-S119 WeakPolarHBondContact CA-O 3.08Å; E107-S119 PolarHBondContact N-O 2.86Å; E107-S119 PolarHBondContact O-N 2.69Å; S119-L131 CarbonylContact C-O 3.55Å; S119-L131 WeakPolarHBondContact CA-O 3.42Å; S119-T132 VanDerWaalsContact OG-CG2 3.3Å; S119-T132 WeakPolarHBondContact OG-CG2 3.44Å
120C94.8Very high83.9Confident1 Ų154.8 Ų54.81%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-102.8132.6174.7-173.60000110Q130 L131 L138 F141C120-Q130 WeakPolarHBondContact O-CA 3.4Å; C120-L131 PolarHBondContact N-O 3.1Å; C120-L131 PolarHBondContact O-N 3.37Å; C120-L138 HydrophobicContact CB-CD2 4.48Å; C120-F141 HydrophobicContact CB-CD1 4.46Å; C120-F141 WeakPolarHBondContact SG-CD1 3.41Å
121Y97.1Very high85.5Confident37 Ų3748.7 Ų48.715%0.14533%0.329CS..EExtended strand (participates in β ladder)trans-116.6131.4178.3-54.7-97.7000111.4I103 Y104 R105 E107 M129 Q130I103-Y121 WeakPolarHBondContact CA-O 3.49Å; Y104-Y121 WeakPolarHBondContact CD1-O 3.24Å; Y104-Y121 VanDerWaalsContact CE1-CB 3.48Å; Y104-Y121 VanDerWaalsContact CZ-CB 3.41Å; Y104-Y121 PolarHBondContact N-O 3.25Å; R105-Y121 HydrophobicContact CB-CD2 3.83Å; R105-Y121 HydrophobicContact CB-CG 4.28Å; R105-Y121 HydrophobicContact CG-CD2 3.86Å; R105-Y121 HydrophobicContact CG-CE2 4.25Å; R105-Y121 PolarHBondContact O-N 3.4Å; E107-Y121 HydrophobicContact CB-CE2 4.39Å; E107-Y121 HydrophobicContact CG-CE2 3.9Å; E107-Y121 VanDerWaalsContact OE2-CE2 3.25Å; E107-Y121 WeakPolarHBondContact OE2-CE2 3.47Å; E107-Y121 PolarHBondContact OE2-OH 3.45Å; Y121-M129 VanDerWaalsContact CA-O 3.29Å; Y121-M129 WeakPolarHBondContact CA-O 3.35Å; Y121-Q130 HydrophobicContact CD1-CB 3.91Å; Y121-Q130 HydrophobicContact CD1-CG 3.91Å; Y121-Q130 HydrophobicContact CE1-CB 3.97Å; Y121-Q130 HydrophobicContact CE1-CG 3.56Å; Y121-Q130 PolarHBondContact OH-NE2 3.46Å
122V97.3Very high87.4Confident0 Ų044.7 Ų44.70%030%0.299CS..EExtended strand (participates in β ladder)trans-128.7143.4-177.1-172.70000109.5K102 I103 F124 M129 L147K102-V122 WeakPolarHBondContact O-CA 3.35Å; I103-V122 HydrophobicContact CG1-CG2 4Å; V122-F124 HydrophobicContact CB-CE2 4.2Å; V122-F124 HydrophobicContact CB-CZ 4.26Å; V122-F124 HydrophobicContact CG1-CD2 4.44Å; V122-F124 HydrophobicContact CG1-CE1 4Å; V122-F124 HydrophobicContact CG1-CE2 3.86Å; V122-F124 HydrophobicContact CG1-CZ 3.59Å; V122-M129 HydrophobicContact CB-CB 4.27Å; V122-M129 HydrophobicContact CB-CE 3.84Å; V122-M129 HydrophobicContact CG2-CE 3.43Å; V122-M129 VanDerWaalsContact CG2-CE 3.43Å; V122-M129 PolarHBondContact N-O 3.31Å; V122-M129 PolarHBondContact O-N 3.3Å; V122-L147 HydrophobicContact CG1-CD1 3.84Å; V122-L147 HydrophobicContact CG1-CD2 4.1Å; V122-L147 HydrophobicContact CG1-CG 4.1Å; V122-L147 HydrophobicContact CG2-CD2 3.96Å
123S97.3Very high89.1Confident36 Ų3642.2 Ų42.225%0.25227%0.274SS..EExtended strand (participates in β ladder)trans-118.7123.5174.6179.70000110.2G101 K102 G126G101-S123 CarbonylContact C-O 3.6Å; G101-S123 WeakPolarHBondContact CA-O 3.42Å; K102-S123 PolarHBondContact N-O 3.12Å; K102-S123 PolarHBondContact O-N 2.98Å; S123-G126 PolarHBondContact OG-N 3.26Å
124F96.2Very high90.5Very high16 Ų1637.6 Ų37.67%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-103.968.9174-54.5-83.9000109.1L40 C99 V122 G126 L127 M129 L147 L149L40-F124 HydrophobicContact CD1-CE2 4.36Å; C99-F124 HydrophobicContact CB-CB 4.06Å; C99-F124 HydrophobicContact CB-CD1 3.53Å; C99-F124 HydrophobicContact CB-CE1 4.16Å; C99-F124 HydrophobicContact CB-CG 3.89Å; V122-F124 HydrophobicContact CB-CE2 4.2Å; V122-F124 HydrophobicContact CB-CZ 4.26Å; V122-F124 HydrophobicContact CG1-CD2 4.44Å; V122-F124 HydrophobicContact CG1-CE1 4Å; V122-F124 HydrophobicContact CG1-CE2 3.86Å; V122-F124 HydrophobicContact CG1-CZ 3.59Å; F124-G126 VanDerWaalsContact C-N 3.3Å; F124-G126 PolarHBondContact O-N 2.99Å; F124-L127 HydrophobicContact CB-CB 4.23Å; F124-L127 PolarHBondContact N-O 3.47Å; F124-L127 PolarHBondContact O-N 2.92Å; F124-M129 HydrophobicContact CD2-CB 4.5Å; F124-M129 HydrophobicContact CE2-CB 3.78Å; F124-M129 HydrophobicContact CE2-SD 4.08Å; F124-M129 HydrophobicContact CZ-SD 4.27Å; F124-L147 HydrophobicContact CE1-CD1 3.74Å; F124-L147 HydrophobicContact CZ-CD1 3.77Å; F124-L149 HydrophobicContact CD1-CB 4.33Å; F124-L149 HydrophobicContact CD2-CD2 4.4Å; F124-L149 HydrophobicContact CE1-CB 3.45Å; F124-L149 VanDerWaalsContact CE1-CB 3.45Å; F124-L149 HydrophobicContact CE1-CD2 4.31Å; F124-L149 HydrophobicContact CE2-CB 4.35Å; F124-L149 HydrophobicContact CE2-CD2 3.84Å; F124-L149 HydrophobicContact CZ-CB 3.47Å; F124-L149 VanDerWaalsContact CZ-CB 3.47Å; F124-L149 HydrophobicContact CZ-CD2 3.81Å; F124-L149 HydrophobicContact CZ-CG 4.2Å
125G93.1Very high91.8Very high87 Ų8734.5 Ų34.590%0.89723%0.233SC*.THydrogen-bonded Turntrans65.230.2-177.700000114.3
126G94.1Very high92.9Very high51 Ų5134.8 Ų34.853%0.52623%0.23SC..THydrogen-bonded Turntrans105.4-14.4-178.400000114.5S123 F124 L128S123-G126 PolarHBondContact OG-N 3.26Å; F124-G126 VanDerWaalsContact C-N 3.3Å; F124-G126 PolarHBondContact O-N 2.99Å; G126-L128 PolarHBondContact O-N 3.11Å
127L95.9Very high93Very high32 Ų3233.5 Ų33.517%0.16822%0.218CC..EExtended strand (participates in β ladder)trans-77.4116.4164.5-60.5177.3000108.6V24 D41 F124V24-L127 HydrophobicContact CG1-CD2 3.73Å; V24-L127 HydrophobicContact CG2-CD2 3.92Å; D41-L127 HydrophobicContact CB-CB 4.12Å; D41-L127 HydrophobicContact CB-CD2 4.07Å; F124-L127 HydrophobicContact CB-CB 4.23Å; F124-L127 PolarHBondContact N-O 3.47Å; F124-L127 PolarHBondContact O-N 2.92Å
128L97.4Very high92.8Very high64 Ų6431.5 Ų31.534%0.33521%0.211SC..EExtended strand (participates in β ladder)trans-92.1145.3-172.9-57.8179.6000111.7D41 Y104 G126D41-L128 PolarHBondContact N-O 2.83Å; D41-L128 PolarHBondContact OD2-N 2.87Å; Y104-L128 HydrophobicContact CE1-CD2 4.34Å; G126-L128 PolarHBondContact O-N 3.11Å
129M97.8Very high92Very high3 Ų338.2 Ų38.22%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-128.3137.3169.2-176.8-173.785.500110L38 I39 L40 L59 Y121 V122 F124 L131L38-M129 HydrophobicContact CD1-CG 3.63Å; L38-M129 HydrophobicContact CD1-SD 3.98Å; I39-M129 CarbonylContact O-C 3.55Å; I39-M129 VanDerWaalsContact O-CA 3.24Å; I39-M129 WeakPolarHBondContact O-CA 3.36Å; L40-M129 HydrophobicContact CD1-CB 3.8Å; L40-M129 HydrophobicContact CD1-CG 3.91Å; L40-M129 HydrophobicContact CD1-SD 4.3Å; L59-M129 HydrophobicContact CD1-CE 4.03Å; L59-M129 HydrophobicContact CD2-CE 4.49Å; Y121-M129 VanDerWaalsContact CA-O 3.29Å; Y121-M129 WeakPolarHBondContact CA-O 3.35Å; V122-M129 HydrophobicContact CB-CB 4.27Å; V122-M129 HydrophobicContact CB-CE 3.84Å; V122-M129 HydrophobicContact CG2-CE 3.43Å; V122-M129 VanDerWaalsContact CG2-CE 3.43Å; V122-M129 PolarHBondContact N-O 3.31Å; V122-M129 PolarHBondContact O-N 3.3Å; F124-M129 HydrophobicContact CD2-CB 4.5Å; F124-M129 HydrophobicContact CE2-CB 3.78Å; F124-M129 HydrophobicContact CE2-SD 4.08Å; F124-M129 HydrophobicContact CZ-SD 4.27Å; M129-L131 HydrophobicContact CE-CB 4.22Å
130Q96.8Very high91.4Very high51 Ų5139.1 Ų39.124%0.23825%0.252CS..EExtended strand (participates in β ladder)trans-122.3118.3166.5179.3-176.91.700108.4L38 I39 C120 Y121 T132L38-Q130 WeakPolarHBondContact CA-O 3.5Å; I39-Q130 HydrophobicContact CB-CB 4.22Å; I39-Q130 PolarHBondContact N-O 3.2Å; I39-Q130 PolarHBondContact O-N 3.4Å; C120-Q130 WeakPolarHBondContact O-CA 3.4Å; Y121-Q130 HydrophobicContact CD1-CB 3.91Å; Y121-Q130 HydrophobicContact CD1-CG 3.91Å; Y121-Q130 HydrophobicContact CE1-CB 3.97Å; Y121-Q130 HydrophobicContact CE1-CG 3.56Å; Y121-Q130 PolarHBondContact OH-NE2 3.46Å; Q130-T132 HydrophobicContact CG-CG2 3.95Å
131L95.7Very high91.1Very high0 Ų039.7 Ų39.70%026%0.255CS..EExtended strand (participates in β ladder)trans-111122174.9179.668.1000109L5 F9 M36 L38 L59 S119 C120 M129 L138 F141L5-L131 HydrophobicContact CD2-CD1 4.31Å; L5-L131 HydrophobicContact CD2-CD2 3.49Å; L5-L131 VanDerWaalsContact CD2-CD2 3.49Å; F9-L131 HydrophobicContact CE1-CD1 4.41Å; F9-L131 HydrophobicContact CZ-CD1 3.99Å; M36-L131 HydrophobicContact CB-CD1 4.28Å; L38-L131 HydrophobicContact CB-CD1 4.48Å; L38-L131 HydrophobicContact CD1-CD1 4.36Å; L59-L131 HydrophobicContact CD1-CD2 4.12Å; S119-L131 CarbonylContact C-O 3.55Å; S119-L131 WeakPolarHBondContact CA-O 3.42Å; C120-L131 PolarHBondContact N-O 3.1Å; C120-L131 PolarHBondContact O-N 3.37Å; M129-L131 HydrophobicContact CE-CB 4.22Å; L131-L138 HydrophobicContact CD2-CD2 3.52Å; L131-L138 HydrophobicContact CG-CD2 4.13Å; L131-F141 HydrophobicContact CD2-CZ 4.23Å
132T94.2Very high90.7Very high29 Ų2945 Ų4518%0.17827%0.274CS..EExtended strand (participates in β ladder)trans-117.6131.6-178.962.90000110M36 G37 L118 S119 Q130M36-T132 CarbonylContact C-O 3.58Å; M36-T132 WeakPolarHBondContact CA-O 3.46Å; M36-T132 VanDerWaalsContact CB-O 3.3Å; M36-T132 WeakPolarHBondContact CB-O 3.46Å; G37-T132 VanDerWaalsContact CA-OG1 3.3Å; G37-T132 WeakPolarHBondContact CA-OG1 3.28Å; G37-T132 PolarHBondContact N-O 3.06Å; G37-T132 PolarHBondContact N-OG1 2.81Å; G37-T132 PolarHBondContact O-N 3.23Å; G37-T132 PolarHBondContact O-OG1 3.34Å; G37-T132 VanDerWaalsContact O-OG1 3.05Å; L118-T132 WeakPolarHBondContact O-CA 3.01Å; S119-T132 VanDerWaalsContact OG-CG2 3.3Å; S119-T132 WeakPolarHBondContact OG-CG2 3.44Å; Q130-T132 HydrophobicContact CG-CG2 3.95Å
133G92.3Very high90.4Very high0 Ų049.1 Ų49.10%030%0.299CS..EExtended strand (participates in β ladder)trans-175.1179.9-176.600000112.1R117 L118R117-G133 CarbonylContact C-O 3.5Å; R117-G133 WeakPolarHBondContact CA-O 3.26Å; L118-G133 PolarHBondContact N-O 2.84Å; L118-G133 PolarHBondContact O-N 2.85Å
134D89.4Confident90.1Very high56 Ų5649 Ų4930%0.29930%0.303SS..EExtended strand (participates in β ladder)trans-69.2147.6179.2-60.7-22.6000110.9R117 S136 N137R117-D134 IonicContact NH1-OD1 3.51Å; R117-D134 PolarHBondContact NH1-OD1 3.02Å; D134-S136 PolarHBondContact O-N 3.26Å; D134-S136 VanDerWaalsContact O-N 3.11Å; D134-N137 PolarHBondContact O-N 3.3Å
135A85.2Confident89.9Confident36 Ų3650.5 Ų50.530%0.29831%0.31SS..G310 helixtrans-57.4-31.8-17500000113.7S116 L118 N137 L138 Q139S116-A135 WeakPolarHBondContact O-CB 3.4Å; S116-A135 PolarHBondContact O-N 3.18Å; L118-A135 HydrophobicContact CD1-CB 3.65Å; L118-A135 HydrophobicContact CG-CB 3.99Å; A135-N137 VanDerWaalsContact C-N 3.27Å; A135-N137 PolarHBondContact O-N 2.97Å; A135-L138 PolarHBondContact O-N 3.06Å; A135-Q139 WeakPolarHBondContact O-CG 3.38Å; A135-Q139 PolarHBondContact O-N 2.77Å
136S84.7Confident89.8Confident75 Ų7549.8 Ų49.852%0.52428%0.283SS..G310 helixtrans-58.5-37.4176.250.70000112.9D134 L138D134-S136 PolarHBondContact O-N 3.26Å; D134-S136 VanDerWaalsContact O-N 3.11Å; S136-L138 VanDerWaalsContact C-N 3.28Å; S136-L138 PolarHBondContact O-N 2.56Å
137N82.2Confident89.8Confident42 Ų4247.3 Ų47.323%0.22526%0.258CS..G310 helixtrans-82.6-14.2-174-59.710.2000111.7F34 M36 D134 A135F34-N137 WeakPolarHBondContact CB-ND2 3.42Å; M36-N137 HydrophobicContact SD-CB 4.32Å; D134-N137 PolarHBondContact O-N 3.3Å; A135-N137 VanDerWaalsContact C-N 3.27Å; A135-N137 PolarHBondContact O-N 2.97Å
138L82Confident89.6Confident7 Ų747.3 Ų47.34%0.03726%0.256CS..G310 helixtrans-111.212.7-176.4-66.3170.1000112.6L118 C120 L131 A135 S136 G140 F141L118-L138 HydrophobicContact CB-CD1 3.67Å; L118-L138 HydrophobicContact CD1-CB 4.29Å; C120-L138 HydrophobicContact CB-CD2 4.48Å; L131-L138 HydrophobicContact CD2-CD2 3.52Å; L131-L138 HydrophobicContact CG-CD2 4.13Å; A135-L138 PolarHBondContact O-N 3.06Å; S136-L138 VanDerWaalsContact C-N 3.28Å; S136-L138 PolarHBondContact O-N 2.56Å; L138-G140 PolarHBondContact O-N 3.34Å; L138-F141 HydrophobicContact CB-CD2 4.11Å; L138-F141 HydrophobicContact CD2-CD2 3.64Å; L138-F141 HydrophobicContact CD2-CE2 3.57Å; L138-F141 HydrophobicContact CD2-CG 4.31Å; L138-F141 HydrophobicContact CD2-CZ 4.2Å; L138-F141 WeakPolarHBondContact O-CD2 3.39Å; L138-F141 PolarHBondContact O-N 3.48Å; L138-F141 VanDerWaalsContact O-N 3.12Å
139Q76.1Confident89.5Confident171 Ų17144.3 Ų44.380%0.79924%0.24SC*.THydrogen-bonded Turntrans-61.9-11.6-174.8-84.4-170.7-13.800115.6A135A135-Q139 WeakPolarHBondContact O-CG 3.38Å; A135-Q139 PolarHBondContact O-N 2.77Å
140G80.9Confident89.2Confident27 Ų2744.3 Ų44.328%0.27824%0.24SC..THydrogen-bonded Turntrans-99-6.5177.500000115.7L138L138-G140 PolarHBondContact O-N 3.34Å
141F87.3Confident89.2Confident14 Ų1441.9 Ų41.96%0.06123%0.229CC..  trans-84.2124.9-176-68.9-98.1000110.4L4 L5 L59 I103 I106 C120 L131 L138 L147L4-F141 HydrophobicContact CB-CE2 4.32Å; L4-F141 HydrophobicContact CB-CZ 4.29Å; L5-F141 HydrophobicContact CB-CZ 4.35Å; L59-F141 HydrophobicContact CB-CZ 4.43Å; L59-F141 HydrophobicContact CD1-CE1 3.83Å; L59-F141 HydrophobicContact CD1-CZ 3.62Å; I103-F141 HydrophobicContact CD1-CB 4.04Å; I103-F141 HydrophobicContact CD1-CD1 3.7Å; I103-F141 HydrophobicContact CD1-CG 4.3Å; I103-F141 HydrophobicContact CG1-CD1 4.36Å; I106-F141 HydrophobicContact CD1-CB 4.09Å; I106-F141 VanDerWaalsContact CD1-O 3.27Å; I106-F141 WeakPolarHBondContact CD1-O 3.35Å; C120-F141 HydrophobicContact CB-CD1 4.46Å; C120-F141 WeakPolarHBondContact SG-CD1 3.41Å; L131-F141 HydrophobicContact CD2-CZ 4.23Å; L138-F141 HydrophobicContact CB-CD2 4.11Å; L138-F141 HydrophobicContact CD2-CD2 3.64Å; L138-F141 HydrophobicContact CD2-CE2 3.57Å; L138-F141 HydrophobicContact CD2-CG 4.31Å; L138-F141 HydrophobicContact CD2-CZ 4.2Å; L138-F141 WeakPolarHBondContact O-CD2 3.39Å; L138-F141 PolarHBondContact O-N 3.48Å; L138-F141 VanDerWaalsContact O-N 3.12Å; F141-L147 HydrophobicContact CD1-CD2 4.38Å; F141-L147 HydrophobicContact CE1-CD2 4.23Å
142R88.1Confident89.1Confident149 Ų14945.7 Ų45.756%0.56225%0.245SC*.  trans-129.7135.5176.5-67.5-173.6-178.6170.6-0110.1I103 K145I103-R142 WeakPolarHBondContact CB-O 3.22Å; I103-R142 VanDerWaalsContact CD1-O 3.24Å; I103-R142 WeakPolarHBondContact CD1-O 3.2Å; R142-K145 HydrophobicContact CB-CG 3.99Å; R142-K145 PolarHBondContact O-N 3.3Å
143V92.4Very high89.1Confident86 Ų8648 Ų4852%0.52125%0.253SS..THydrogen-bonded Turntrans-57.8139.3173.7-1790000109.5I106 K145I106-V143 HydrophobicContact CB-CG2 4.18Å; I106-V143 HydrophobicContact CD1-CG2 4Å; I106-V143 HydrophobicContact CG1-CG2 3.82Å; V143-K145 VanDerWaalsContact C-N 3.3Å; V143-K145 PolarHBondContact O-N 2.83Å
144G91.3Very high89.1Confident33 Ų3350.2 Ų50.234%0.3426%0.264SS..THydrogen-bonded Turntrans89.9-18.4-179.500000114.3K102 I103K102-G144 VanDerWaalsContact CE-O 3.24Å; K102-G144 WeakPolarHBondContact CE-O 3.23Å; I103-G144 PolarHBondContact O-N 3.29Å
145K91.1Very high88.7Confident47 Ų4752.4 Ų52.420%0.20429%0.29CS..  trans-83.4148.7-179.9-65.7-64.9-172.3175.70112A71 D72 I103 R142 V143A71-K145 PolarHBondContact O-NZ 3.29Å; D72-K145 IonicContact OD1-NZ 2.58Å; I103-K145 PolarHBondContact N-O 3.11Å; R142-K145 HydrophobicContact CB-CG 3.99Å; R142-K145 PolarHBondContact O-N 3.3Å; V143-K145 VanDerWaalsContact C-N 3.3Å; V143-K145 PolarHBondContact O-N 2.83Å
146H91.8Very high87.6Confident72 Ų7261.1 Ų61.133%0.33332%0.322SS..EExtended strand (participates in β ladder)trans-89.4154.5176.4-62.596.2000111.7Y100 G101Y100-H146 HydrophobicContact CE1-CB 4.46Å; Y100-H146 AromaticContact CE1-CD2 3.8Å; Y100-H146 HydrophobicContact CE2-CB 3.69Å; Y100-H146 AromaticContact CZ-CD2 3.68Å; Y100-H146 AromaticContact CZ-CG 3.69Å; Y100-H146 WeakPolarHBondContact OH-CB 3.24Å; Y100-H146 PolarHBondContact OH-CD2 2.79Å; G101-H146 CarbonylContact O-C 3.56Å; G101-H146 VanDerWaalsContact O-CA 3.23Å; G101-H146 WeakPolarHBondContact O-CA 3.4Å
147L92.4Very high87.7Confident0 Ų060.5 Ų60.50%031%0.312CS..EExtended strand (participates in β ladder)trans-153.9153.3176.56095.2000111.8L59 T60 G101 I103 V122 F124 F141L59-L147 HydrophobicContact CD2-CD1 3.86Å; T60-L147 CarbonylContact O-C 3.48Å; T60-L147 WeakPolarHBondContact O-CA 3.37Å; G101-L147 PolarHBondContact N-O 3.03Å; G101-L147 PolarHBondContact O-N 3.37Å; I103-L147 HydrophobicContact CD1-CD2 3.57Å; I103-L147 HydrophobicContact CG1-CD2 3.26Å; V122-L147 HydrophobicContact CG1-CD1 3.84Å; V122-L147 HydrophobicContact CG1-CD2 4.1Å; V122-L147 HydrophobicContact CG1-CG 4.1Å; V122-L147 HydrophobicContact CG2-CD2 3.96Å; F124-L147 HydrophobicContact CE1-CD1 3.74Å; F124-L147 HydrophobicContact CZ-CD1 3.77Å; F141-L147 HydrophobicContact CD1-CD2 4.38Å; F141-L147 HydrophobicContact CE1-CD2 4.23Å
148Y92.7Very high88Confident31 Ų3161.4 Ų61.412%0.12232%0.317CS..EExtended strand (participates in β ladder)trans-97.5130.6171.1-63.2-86.8000109.5L59 T60 L63 C99 Y100L59-Y148 WeakPolarHBondContact CA-O 3.24Å; T60-Y148 PolarHBondContact N-O 3.28Å; T60-Y148 VanDerWaalsContact N-O 3.07Å; T60-Y148 PolarHBondContact O-N 3.09Å; L63-Y148 HydrophobicContact CD1-CD1 3.87Å; L63-Y148 HydrophobicContact CD1-CE1 3.47Å; L63-Y148 VanDerWaalsContact CD1-CE1 3.47Å; L63-Y148 HydrophobicContact CD1-CE2 4.26Å; L63-Y148 HydrophobicContact CD1-CG 4.4Å; L63-Y148 HydrophobicContact CD2-CD1 3.66Å; L63-Y148 HydrophobicContact CD2-CD2 3.95Å; L63-Y148 HydrophobicContact CD2-CE1 4.13Å; L63-Y148 HydrophobicContact CD2-CE2 4.4Å; L63-Y148 HydrophobicContact CD2-CG 3.54Å; L63-Y148 HydrophobicContact CG-CD1 3.85Å; L63-Y148 HydrophobicContact CG-CD2 3.85Å; L63-Y148 HydrophobicContact CG-CE1 3.8Å; L63-Y148 HydrophobicContact CG-CE2 3.8Å; L63-Y148 HydrophobicContact CG-CG 3.87Å; C99-Y148 CarbonylContact O-C 3.57Å; C99-Y148 WeakPolarHBondContact O-CA 3.29Å; Y100-Y148 AromaticContact CD2-CD1 3.67Å; Y100-Y148 HydrophobicContact CD2-CD1 3.67Å; Y100-Y148 HydrophobicContact CD2-CD2 4.18Å; Y100-Y148 AromaticContact CD2-CE1 3.3Å; Y100-Y148 HydrophobicContact CD2-CE1 3.3Å; Y100-Y148 AromaticContact CD2-CE2 3.85Å; Y100-Y148 HydrophobicContact CD2-CE2 3.85Å; Y100-Y148 HydrophobicContact CD2-CG 4.1Å; Y100-Y148 AromaticContact CD2-CZ 3.41Å; Y100-Y148 VanDerWaalsContact CD2-CZ 3.41Å; Y100-Y148 HydrophobicContact CE2-CD2 4.47Å; Y100-Y148 HydrophobicContact CE2-CE1 4.04Å; Y100-Y148 AromaticContact CE2-CE2 3.87Å; Y100-Y148 HydrophobicContact CE2-CE2 3.87Å; Y100-Y148 AromaticContact CE2-CZ 3.63Å; Y100-Y148 HydrophobicContact CG-CD1 4.36Å; Y100-Y148 AromaticContact CG-CE1 3.98Å; Y100-Y148 HydrophobicContact CG-CE1 3.98Å
149L94.4Very high88.4Confident1 Ų164.4 Ų64.41%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-98125.8166.7169.169.5000108.3L40 M57 L59 V98 C99 F124 I151L40-L149 HydrophobicContact CD1-CD2 3.82Å; L40-L149 HydrophobicContact CD2-CD2 4.16Å; M57-L149 HydrophobicContact CG-CD1 3.51Å; M57-L149 HydrophobicContact SD-CD1 3.66Å; L59-L149 HydrophobicContact CD2-CB 4.01Å; L59-L149 HydrophobicContact CD2-CD1 3.61Å; L59-L149 HydrophobicContact CD2-CG 4.45Å; V98-L149 CarbonylContact C-O 3.52Å; V98-L149 VanDerWaalsContact CA-O 3.24Å; V98-L149 WeakPolarHBondContact CA-O 3.41Å; C99-L149 HydrophobicContact CB-CB 4.23Å; C99-L149 HydrophobicContact CB-CD2 4.37Å; C99-L149 PolarHBondContact N-O 2.85Å; C99-L149 PolarHBondContact O-N 3.05Å; F124-L149 HydrophobicContact CD1-CB 4.33Å; F124-L149 HydrophobicContact CD2-CD2 4.4Å; F124-L149 HydrophobicContact CE1-CB 3.45Å; F124-L149 VanDerWaalsContact CE1-CB 3.45Å; F124-L149 HydrophobicContact CE1-CD2 4.31Å; F124-L149 HydrophobicContact CE2-CB 4.35Å; F124-L149 HydrophobicContact CE2-CD2 3.84Å; F124-L149 HydrophobicContact CZ-CB 3.47Å; F124-L149 VanDerWaalsContact CZ-CB 3.47Å; F124-L149 HydrophobicContact CZ-CD2 3.81Å; F124-L149 HydrophobicContact CZ-CG 4.2Å; L149-I151 HydrophobicContact CD1-CD1 3.97Å; L149-I151 HydrophobicContact CD1-CG1 3.88Å; L149-I151 HydrophobicContact CD2-CD1 3.98Å; L149-I151 HydrophobicContact CG-CD1 4.06Å; L149-I151 HydrophobicContact CG-CG1 4.11Å
150M93.1Very high89.1Confident4 Ų458.2 Ų58.22%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-125.7128.6175.7-61176.7-65.900109.1M1 M57 V58 T60 L63 M92 F95 Y97 V98M1-M150 HydrophobicContact CE-CE 4.36Å; M57-M150 CarbonylContact C-O 3.5Å; M57-M150 WeakPolarHBondContact CA-O 3.27Å; V58-M150 HydrophobicContact CB-CB 4.42Å; V58-M150 HydrophobicContact CB-CE 3.86Å; V58-M150 HydrophobicContact CG1-CE 3.52Å; V58-M150 PolarHBondContact N-O 3.36Å; V58-M150 PolarHBondContact O-N 3.41Å; T60-M150 HydrophobicContact CG2-CE 3.5Å; L63-M150 HydrophobicContact CD2-SD 4.21Å; M92-M150 HydrophobicContact CB-SD 4.42Å; F95-M150 HydrophobicContact CB-CB 4.06Å; F95-M150 HydrophobicContact CD1-CB 3.71Å; F95-M150 HydrophobicContact CD2-CB 3.88Å; F95-M150 HydrophobicContact CD2-CG 4.47Å; F95-M150 HydrophobicContact CD2-SD 4.1Å; F95-M150 HydrophobicContact CE1-CB 4.09Å; F95-M150 HydrophobicContact CE2-CB 4.27Å; F95-M150 HydrophobicContact CE2-CE 4.41Å; F95-M150 HydrophobicContact CE2-SD 4.3Å; F95-M150 HydrophobicContact CG-CB 3.61Å; F95-M150 HydrophobicContact CZ-CB 4.37Å; Y97-M150 CarbonylContact O-C 3.55Å; Y97-M150 WeakPolarHBondContact O-CA 3.48Å; V98-M150 HydrophobicContact CG1-CG 4.1Å; V98-M150 HydrophobicContact CG2-CG 4.14Å
151I95Very high89.6Confident0 Ų060.1 Ų60.10%031%0.306CS..EExtended strand (participates in β ladder)trans-130.1136.3-175.8-65.2174.4000110L40 Y47 F55 R56 M57 D96 Y97 L149L40-I151 HydrophobicContact CD2-CD1 3.48Å; L40-I151 VanDerWaalsContact CD2-CD1 3.48Å; Y47-I151 HydrophobicContact CE1-CG2 3.77Å; F55-I151 HydrophobicContact CB-CG2 3.9Å; F55-I151 HydrophobicContact CD2-CD1 4.45Å; F55-I151 HydrophobicContact CD2-CG1 4.29Å; F55-I151 HydrophobicContact CD2-CG2 3.59Å; F55-I151 HydrophobicContact CE2-CD1 4.22Å; F55-I151 HydrophobicContact CE2-CG1 4.41Å; F55-I151 HydrophobicContact CE2-CG2 4.36Å; F55-I151 HydrophobicContact CG-CG2 3.95Å; R56-I151 WeakPolarHBondContact O-CA 3.41Å; M57-I151 HydrophobicContact CG-CG1 4.15Å; D96-I151 PolarHBondContact N-O 2.84Å; Y97-I151 HydrophobicContact CD1-CD1 4.31Å; Y97-I151 PolarHBondContact N-O 2.84Å; Y97-I151 PolarHBondContact O-N 2.82Å; L149-I151 HydrophobicContact CD1-CD1 3.97Å; L149-I151 HydrophobicContact CD1-CG1 3.88Å; L149-I151 HydrophobicContact CD2-CD1 3.98Å; L149-I151 HydrophobicContact CG-CD1 4.06Å; L149-I151 HydrophobicContact CG-CG1 4.11Å
152K94.5Very high89.7Confident79 Ų7963.2 Ų63.234%0.34332%0.323SS..EExtended strand (participates in β ladder)trans-131.6128.8173.8-170.2-174.2-167.2135.90110F55 R56 E94 F95 D96F55-K152 CarbonylContact C-O 3.6Å; F55-K152 VanDerWaalsContact CA-O 3.27Å; F55-K152 WeakPolarHBondContact CA-O 3.44Å; F55-K152 WeakPolarHBondContact CB-O 3.39Å; R56-K152 PolarHBondContact N-O 3.38Å; R56-K152 PolarHBondContact O-N 3.35Å; E94-K152 VanDerWaalsContact O-CD 3.24Å; E94-K152 WeakPolarHBondContact O-CD 3.18Å; E94-K152 WeakPolarHBondContact O-CE 3.18Å; E94-K152 PolarHBondContact O-NZ 3.35Å; F95-K152 HydrophobicContact CD1-CB 3.8Å; F95-K152 HydrophobicContact CE1-CB 4.34Å; D96-K152 WeakPolarHBondContact OD2-CG 3.06Å
153K94.2Very high89.9Confident79 Ų7957.1 Ų57.134%0.34331%0.305SS..EExtended strand (participates in β ladder)trans-72.2136.9178.2-170170.3175.9165.60108.8Y47 L49 D53 D96Y47-K153 WeakPolarHBondContact OH-CA 3.42Å; Y47-K153 VanDerWaalsContact OH-CB 3.29Å; Y47-K153 WeakPolarHBondContact OH-CB 3.46Å; Y47-K153 PolarHBondContact OH-N 2.86Å; L49-K153 HydrophobicContact CD2-CD 4.09Å; L49-K153 HydrophobicContact CD2-CG 4.25Å; D53-K153 VanDerWaalsContact OD1-CE 3.24Å; D53-K153 WeakPolarHBondContact OD1-CE 3.49Å; D53-K153 IonicContact OD1-NZ 2.9Å; D53-K153 PolarHBondContact OD1-NZ 2.84Å; D53-K153 WeakPolarHBondContact OD2-CE 3.4Å; D53-K153 IonicContact OD2-NZ 2.7Å; D53-K153 PolarHBondContact OD2-NZ 2.77Å; D96-K153 PolarHBondContact OD2-N 3.46Å
154L93Very high89.7Confident45 Ų4554.8 Ų54.824%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-93.5120.6171.6-59.7178.2000108.2I8 K54 R56 F156I8-L154 HydrophobicContact CD1-CD1 3.9Å; I8-L154 HydrophobicContact CG1-CD1 4.11Å; I8-L154 HydrophobicContact CG2-CD1 3.75Å; K54-L154 HydrophobicContact CB-CB 4.37Å; K54-L154 HydrophobicContact CB-CD1 4.38Å; K54-L154 PolarHBondContact O-N 2.81Å; R56-L154 HydrophobicContact CB-CD2 4.44Å; L154-F156 HydrophobicContact CB-CD2 4.11Å; L154-F156 HydrophobicContact CB-CE2 3.66Å; L154-F156 HydrophobicContact CD1-CE2 4.14Å
155A80.9Confident89.5Confident102 Ų10256.7 Ų56.784%0.84329%0.285SS*.PPolyproline II helixtrans-79.2120.5170.600000108.6
156F61.3Low89.4Confident220 Ų22057.5 Ų57.597%0.96529%0.292SS*.  trans-116.80168.8-74.6-80.4000109.7K54 L154K54-F156 HydrophobicContact CB-CD2 4.34Å; K54-F156 HydrophobicContact CB-CE2 3.96Å; K54-F156 HydrophobicContact CD-CD2 4.16Å; K54-F156 HydrophobicContact CD-CE2 3.64Å; K54-F156 HydrophobicContact CD-CZ 4.29Å; K54-F156 HydrophobicContact CG-CE2 4.31Å; L154-F156 HydrophobicContact CB-CD2 4.11Å; L154-F156 HydrophobicContact CB-CE2 3.66Å; L154-F156 HydrophobicContact CD1-CE2 4.14Å

Retrieved 156 of 156 residues in 385.5 ms (Link to these results)

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