A0A5K4F9A5_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9A5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 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
1M39.5Very low68.4Low246 Ų246109.1 Ų109.1100%1.21262%0.62SS**  0100.60-140.1171.2-169.500106.1I3M1-I3 PolarHBondContact O-N 2.84Å
2G47.3Very low70.1Confident75 Ų75102.1 Ų102.177%0.77359%0.59SS**  trans-72.4123.2-175.800000110.1S4G2-S4 PolarHBondContact O-N 3Å; G2-S4 VanDerWaalsContact O-N 3.09Å
3I52.4Low71.6Confident146 Ų146100.8 Ų100.875%0.74959%0.587SS**  trans-68.296.1172.735.4168.5000109M1 Q5 I57M1-I3 PolarHBondContact O-N 2.84Å; I3-Q5 PolarHBondContact O-N 3.19Å; I3-I57 HydrophobicContact CG1-CD1 4.4Å; I3-I57 WeakPolarHBondContact O-CD1 3.29Å
4S57.4Low73.2Confident110 Ų11098.9 Ų98.977%0.76958%0.577SS**PPolyproline II helixtrans-64.9124171.651.30000109.7G2G2-S4 PolarHBondContact O-N 3Å; G2-S4 VanDerWaalsContact O-N 3.09Å
5Q63.3Low74.6Confident108 Ų10893.8 Ų93.851%0.50555%0.547SS..PPolyproline II helixtrans-86.6122.8167.5-172.4169-5.800108.1I3 I57I3-Q5 PolarHBondContact O-N 3.19Å; Q5-I57 HydrophobicContact CB-CG2 4Å
6F67.5Low75.9Confident182 Ų18288.4 Ų88.480%0.79852%0.517SS*.PPolyproline II helixtrans-96.3141.5173.468.4-87.2000110
7S74.7Confident77Confident70 Ų7089.5 Ų89.549%0.4952%0.52SS..  trans-122.4134.7168.6170.30000107.4A9 W44S7-A9 PolarHBondContact O-N 2.73Å; S7-A9 VanDerWaalsContact O-N 3.11Å; S7-W44 WeakPolarHBondContact OG-CZ3 3.21Å
8I83.9Confident78.1Confident124 Ų12488.4 Ų88.464%0.63651%0.508SS*.  trans-75.7101.3172-62.2175.6000107H10I8-H10 WeakPolarHBondContact CG2-O 3.4Å
9A87.1Confident78.9Confident27 Ų2790.3 Ų90.322%0.22351%0.51CS..  trans-66-46.4-178.400000112S7 V14 R42 W44S7-A9 PolarHBondContact O-N 2.73Å; S7-A9 VanDerWaalsContact O-N 3.11Å; A9-V14 HydrophobicContact CB-CG2 4.25Å; A9-R42 WeakPolarHBondContact O-CD 3.43Å; A9-R42 PolarHBondContact O-NE 3.16Å; A9-W44 VanDerWaalsContact CA-CZ2 3.49Å; A9-W44 HydrophobicContact CB-CH2 4.24Å; A9-W44 HydrophobicContact CB-CZ2 3.78Å
10H90Very high79.5Confident13 Ų1386 Ų866%0.0649%0.485CS..  trans-143.8152.6-176.1-68.5-78.1000108.7I8 G12 V14 S28 G30 G31 S40I8-H10 WeakPolarHBondContact CG2-O 3.4Å; H10-G12 VanDerWaalsContact C-N 3.32Å; H10-V14 HydrophobicContact CB-CG2 4.4Å; H10-S28 WeakPolarHBondContact NE2-CB 3.31Å; H10-S28 PolarHBondContact NE2-OG 2.8Å; H10-G30 PolarHBondContact CE1-N 2.84Å; H10-G30 PolarHBondContact ND1-O 2.91Å; H10-G31 WeakPolarHBondContact CB-O 3.49Å; H10-S40 PolarHBondContact CE1-O 2.81Å; H10-S40 PolarHBondContact CE1-OG 2.73Å; H10-S40 PolarHBondContact ND1-OG 2.95Å
11T89.9Confident79.9Confident99 Ų9984.3 Ų84.361%0.60748%0.479SS*.SBendtrans-87.2-5.617746.10000112.5G31 S32 G33T11-G31 PolarHBondContact N-O 2.81Å; T11-S32 PolarHBondContact OG1-O 2.95Å; T11-G33 WeakPolarHBondContact OG1-CA 3.48Å; T11-G33 PolarHBondContact OG1-N 3.21Å; T11-G33 VanDerWaalsContact OG1-N 3.13Å
12G88.6Confident82Confident25 Ų2575 Ų7526%0.25843%0.434SS..SBendtrans-122.5-168.3163.800000111.8H10 V14 G31H10-G12 VanDerWaalsContact C-N 3.32Å; G12-V14 PolarHBondContact O-N 2.99Å; G12-G31 PolarHBondContact N-O 3.27Å
13P89.9Confident84Confident85 Ų8573.3 Ų73.355%0.55242%0.418SS*.  trans-56.5138.3179.1-23.933.5000112.1L15 G30 G31P13-L15 HydrophobicContact CB-CD2 3.96Å; P13-G30 CarbonylContact O-C 3.46Å; P13-G30 WeakPolarHBondContact O-CA 3.46Å; P13-G31 PolarHBondContact O-N 2.75Å
14V93.1Very high85.6Confident74 Ų7470.6 Ų70.645%0.44840%0.404SS..EExtended strand (participates in β ladder)trans-77.6121.3166.3-171.90000107.6A9 H10 G12A9-V14 HydrophobicContact CB-CG2 4.25Å; H10-V14 HydrophobicContact CB-CG2 4.4Å; G12-V14 PolarHBondContact O-N 2.99Å
15L93.9Very high87Confident23 Ų2365.6 Ų65.612%0.1237%0.368CS..EExtended strand (participates in β ladder)trans-103.7-23.8-172.1-60-177.6000112.9P13 W29 V102 P104 I105P13-L15 HydrophobicContact CB-CD2 3.96Å; L15-W29 WeakPolarHBondContact CA-O 3.33Å; L15-W29 PolarHBondContact N-O 3.18Å; L15-V102 HydrophobicContact CD1-CG1 3.78Å; L15-V102 HydrophobicContact CD2-CB 4.28Å; L15-V102 HydrophobicContact CD2-CG1 3.44Å; L15-V102 VanDerWaalsContact CD2-CG1 3.44Å; L15-V102 HydrophobicContact CG-CG1 4.26Å; L15-P104 CarbonylContact O-C 3.48Å; L15-P104 WeakPolarHBondContact O-CA 3.12Å; L15-P104 WeakPolarHBondContact O-CB 3.26Å; L15-I105 HydrophobicContact CB-CG1 4.49Å; L15-I105 PolarHBondContact O-N 2.74Å
16G95.4Very high88.4Confident7 Ų761.9 Ų61.97%0.07235%0.352CS..EExtended strand (participates in β ladder)trans-156.2150177.600000111.6S28 W29G16-S28 WeakPolarHBondContact O-CA 3.33Å; G16-W29 PolarHBondContact N-O 2.84Å; G16-W29 PolarHBondContact O-N 3.35Å
17L95.6Very high89.6Confident107 Ų10753.2 Ų53.256%0.5631%0.314SS*.EExtended strand (participates in β ladder)trans-147.1135.9-179.7-162.877.5000109.6L26 I27L17-L26 HydrophobicContact CD1-CD1 4.01Å; L17-L26 HydrophobicContact CD1-CD2 3.95Å; L17-L26 HydrophobicContact CD1-CG 3.87Å; L17-L26 HydrophobicContact CD2-CD1 4.1Å; L17-L26 HydrophobicContact CD2-CD2 4.47Å; L17-L26 HydrophobicContact CG-CD1 3.81Å; L17-L26 HydrophobicContact CG-CD2 4.49Å; L17-L26 HydrophobicContact CG-CG 4.26Å; L17-I27 WeakPolarHBondContact CA-O 3.31Å; L17-I27 WeakPolarHBondContact CD1-O 3.48Å
18K96.1Very high90.6Very high70 Ų7050 Ų5030%0.30429%0.291SS..EExtended strand (participates in β ladder)trans-157141.8179.6-17565.4-161.4-129.20109.8I27 L107 D108 T109K18-I27 PolarHBondContact N-O 2.67Å; K18-I27 WeakPolarHBondContact O-CA 3.3Å; K18-I27 WeakPolarHBondContact O-CB 3.32Å; K18-I27 WeakPolarHBondContact O-CD1 3.29Å; K18-I27 PolarHBondContact O-N 3.48Å; K18-L107 HydrophobicContact CB-CD1 3.38Å; K18-L107 HydrophobicContact CB-CG 4.11Å; K18-L107 HydrophobicContact CG-CD1 4.07Å; K18-D108 WeakPolarHBondContact CE-OD1 3.38Å; K18-D108 IonicContact NZ-OD1 2.69Å; K18-D108 PolarHBondContact NZ-OD1 3.3Å; K18-T109 HydrophobicContact CG-CG2 4.3Å
19F93.1Very high91.1Very high124 Ų12444.3 Ų44.354%0.54426%0.262SS..EExtended strand (participates in β ladder)trans-73.4149.4166.7-81.5-78000110.7H25 L26 T109F19-H25 CarbonylContact C-O 3.58Å; F19-H25 WeakPolarHBondContact CA-O 3.34Å; F19-H25 WeakPolarHBondContact CD1-O 3.44Å; F19-L26 HydrophobicContact CD1-CD1 4.25Å; F19-L26 HydrophobicContact CD2-CD1 4.44Å; F19-L26 HydrophobicContact CE1-CD1 4.23Å; F19-L26 HydrophobicContact CE2-CD1 4.42Å; F19-L26 HydrophobicContact CG-CD1 4.35Å; F19-L26 HydrophobicContact CZ-CD1 4.31Å; F19-T109 PolarHBondContact O-OG1 2.81Å
20S91.1Very high91.4Very high4 Ų443 Ų433%0.02825%0.251CS..  trans-55.7156.2162.755.10000110.3D22 G23 L24 H25 I27S20-D22 VanDerWaalsContact CB-OD1 3.29Å; S20-D22 WeakPolarHBondContact CB-OD1 3.34Å; S20-D22 PolarHBondContact O-N 3.04Å; S20-D22 VanDerWaalsContact O-N 3.15Å; S20-D22 PolarHBondContact OG-OD1 3.25Å; S20-G23 WeakPolarHBondContact O-CA 3.15Å; S20-G23 PolarHBondContact O-N 2.88Å; S20-L24 PolarHBondContact OG-N 3.22Å; S20-H25 PolarHBondContact N-O 2.92Å; S20-H25 PolarHBondContact OG-N 3.03Å; S20-H25 PolarHBondContact OG-O 3.45Å; S20-I27 VanDerWaalsContact N-CD1 3.27Å
21S87.2Confident91.5Very high51 Ų5142.9 Ų42.936%0.35725%0.254SS..THydrogen-bonded Turntrans-61-26.1-176.9-56.70000113.4T109 T110S21-T109 PolarHBondContact OG-O 2.64Å; S21-T109 PolarHBondContact OG-OG1 2.84Å; S21-T110 WeakPolarHBondContact OG-CA 3.26Å
22D84.8Confident91.3Very high50 Ų5038.7 Ų38.727%0.26723%0.228SC..THydrogen-bonded Turntrans-86.6-5172.555.423.6000114.6S20 L24 A120 S121S20-D22 VanDerWaalsContact CB-OD1 3.29Å; S20-D22 WeakPolarHBondContact CB-OD1 3.34Å; S20-D22 PolarHBondContact O-N 3.04Å; S20-D22 VanDerWaalsContact O-N 3.15Å; S20-D22 PolarHBondContact OG-OD1 3.25Å; D22-L24 HydrophobicContact CB-CD1 4.47Å; D22-L24 HydrophobicContact CB-CG 4.38Å; D22-L24 PolarHBondContact O-N 2.94Å; D22-L24 PolarHBondContact OD1-N 3.42Å; D22-L24 VanDerWaalsContact OD1-N 3.09Å; D22-A120 WeakPolarHBondContact OD2-CB 3.47Å; D22-S121 PolarHBondContact OD2-N 2.74Å
23G88.3Confident90.9Very high41 Ų4140.1 Ų40.142%0.42324%0.243SC..SBendtrans73.73.4179.600000115.5S20S20-G23 WeakPolarHBondContact O-CA 3.15Å; S20-G23 PolarHBondContact O-N 2.88Å
24L85.9Confident90.4Very high89 Ų8939 Ų3947%0.46623%0.232SC..SBendtrans-83.9-19-174.8-64.3177.4000113.8S20 D22 P46 A120S20-L24 PolarHBondContact OG-N 3.22Å; D22-L24 HydrophobicContact CB-CD1 4.47Å; D22-L24 HydrophobicContact CB-CG 4.38Å; D22-L24 PolarHBondContact O-N 2.94Å; D22-L24 PolarHBondContact OD1-N 3.42Å; D22-L24 VanDerWaalsContact OD1-N 3.09Å; L24-P46 VanDerWaalsContact O-CD 3.3Å; L24-P46 WeakPolarHBondContact O-CD 3.43Å; L24-A120 HydrophobicContact CB-CB 4.09Å; L24-A120 HydrophobicContact CD1-CB 3.62Å; L24-A120 HydrophobicContact CG-CB 4.48Å
25H87.8Confident89.8Confident4 Ų438.8 Ų38.82%0.01923%0.231CC..  trans-130.6150.3-179.4-57.5-75000111.3F19 S20 L43 W44 T45 L117 A120F19-H25 CarbonylContact C-O 3.58Å; F19-H25 WeakPolarHBondContact CA-O 3.34Å; F19-H25 WeakPolarHBondContact CD1-O 3.44Å; S20-H25 PolarHBondContact N-O 2.92Å; S20-H25 PolarHBondContact OG-N 3.03Å; S20-H25 PolarHBondContact OG-O 3.45Å; H25-L43 HydrophobicContact CB-CD1 3.4Å; H25-L43 VanDerWaalsContact CB-CD1 3.4Å; H25-L43 HydrophobicContact CB-CD2 4.49Å; H25-L43 HydrophobicContact CB-CG 3.91Å; H25-W44 VanDerWaalsContact CA-O 3.32Å; H25-W44 WeakPolarHBondContact CA-O 3.3Å; H25-T45 PolarHBondContact CE1-OG1 3.29Å; H25-T45 WeakPolarHBondContact ND1-CB 3.34Å; H25-L117 PolarHBondContact CE1-O 3.32Å; H25-L117 PolarHBondContact NE2-O 3.17Å; H25-A120 WeakPolarHBondContact NE2-CB 3.42Å
26L91.7Very high89Confident31 Ų3144.9 Ų44.916%0.16227%0.268CS..EExtended strand (participates in β ladder)trans-102.5137.1169.4-173.467.4000108.9L17 F19 L43 W44 L60L17-L26 HydrophobicContact CD1-CD1 4.01Å; L17-L26 HydrophobicContact CD1-CD2 3.95Å; L17-L26 HydrophobicContact CD1-CG 3.87Å; L17-L26 HydrophobicContact CD2-CD1 4.1Å; L17-L26 HydrophobicContact CD2-CD2 4.47Å; L17-L26 HydrophobicContact CG-CD1 3.81Å; L17-L26 HydrophobicContact CG-CD2 4.49Å; L17-L26 HydrophobicContact CG-CG 4.26Å; F19-L26 HydrophobicContact CD1-CD1 4.25Å; F19-L26 HydrophobicContact CD2-CD1 4.44Å; F19-L26 HydrophobicContact CE1-CD1 4.23Å; F19-L26 HydrophobicContact CE2-CD1 4.42Å; F19-L26 HydrophobicContact CG-CD1 4.35Å; F19-L26 HydrophobicContact CZ-CD1 4.31Å; L26-L43 CarbonylContact O-C 3.51Å; L26-L43 WeakPolarHBondContact O-CA 3.32Å; L26-W44 HydrophobicContact CB-CB 4.09Å; L26-W44 HydrophobicContact CB-CG 4.46Å; L26-W44 PolarHBondContact N-O 3.25Å; L26-W44 VanDerWaalsContact O-CD1 3.25Å; L26-W44 PolarHBondContact O-N 2.73Å; L26-L60 HydrophobicContact CD2-CD1 4.28Å
27I93.8Very high88.4Confident0 Ų047.8 Ų47.80%028%0.282CS..EExtended strand (participates in β ladder)trans-110.3129.6175-62.981.3000107.6L17 K18 S20 L41 R42 L43 L107 T109 L123 I125L17-I27 WeakPolarHBondContact CA-O 3.31Å; L17-I27 WeakPolarHBondContact CD1-O 3.48Å; K18-I27 PolarHBondContact N-O 2.67Å; K18-I27 WeakPolarHBondContact O-CA 3.3Å; K18-I27 WeakPolarHBondContact O-CB 3.32Å; K18-I27 WeakPolarHBondContact O-CD1 3.29Å; K18-I27 PolarHBondContact O-N 3.48Å; S20-I27 VanDerWaalsContact N-CD1 3.27Å; I27-L41 HydrophobicContact CG2-CD1 3.51Å; I27-R42 CarbonylContact C-O 3.58Å; I27-R42 WeakPolarHBondContact CA-O 3.34Å; I27-L43 HydrophobicContact CD1-CD1 4.07Å; I27-L43 HydrophobicContact CG1-CD1 3.93Å; I27-L107 HydrophobicContact CG2-CD1 4.22Å; I27-T109 HydrophobicContact CD1-CG2 4.02Å; I27-T109 HydrophobicContact CG1-CG2 4.22Å; I27-L123 HydrophobicContact CD1-CD1 4.34Å; I27-I125 HydrophobicContact CG1-CD1 4Å; I27-I125 HydrophobicContact CG1-CG1 4.39Å; I27-I125 HydrophobicContact CG2-CD1 4.22Å; I27-I125 HydrophobicContact CG2-CG2 3.97Å
28S94.6Very high88Confident1 Ų142.9 Ų42.91%0.00726%0.257CS..EExtended strand (participates in β ladder)trans-126.4140.6173.472.60000112.2H10 G16 R42 W44H10-S28 WeakPolarHBondContact NE2-CB 3.31Å; H10-S28 PolarHBondContact NE2-OG 2.8Å; G16-S28 WeakPolarHBondContact O-CA 3.33Å; S28-R42 PolarHBondContact N-O 3.33Å; S28-R42 PolarHBondContact O-N 3.26Å; S28-W44 PolarHBondContact OG-NE1 3.43Å
29W95Very high87.7Confident5 Ų539.7 Ų39.72%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-120.7131.1173.5175.4-113.7000108.8L15 G16 A39 S40 L41 I68 L107 V127 V129 L134L15-W29 WeakPolarHBondContact CA-O 3.33Å; L15-W29 PolarHBondContact N-O 3.18Å; G16-W29 PolarHBondContact N-O 2.84Å; G16-W29 PolarHBondContact O-N 3.35Å; W29-A39 HydrophobicContact CD2-CB 4.26Å; W29-A39 HydrophobicContact CE3-CB 4.43Å; W29-A39 HydrophobicContact CH2-CB 3.52Å; W29-A39 HydrophobicContact CZ2-CB 3.29Å; W29-A39 HydrophobicContact CZ3-CB 4.09Å; W29-S40 VanDerWaalsContact CE3-C 3.46Å; W29-L41 HydrophobicContact CE3-CB 3.81Å; W29-L41 HydrophobicContact CE3-CD1 4.32Å; W29-L41 HydrophobicContact CZ3-CB 3.99Å; W29-I68 HydrophobicContact CH2-CB 4.06Å; W29-I68 HydrophobicContact CH2-CD1 3.87Å; W29-I68 HydrophobicContact CH2-CG1 4.39Å; W29-I68 HydrophobicContact CH2-CG2 4.5Å; W29-I68 HydrophobicContact CZ3-CD1 3.89Å; W29-L107 HydrophobicContact CB-CD2 3.83Å; W29-V127 HydrophobicContact CB-CG1 4.14Å; W29-V127 HydrophobicContact CD2-CG1 3.62Å; W29-V127 HydrophobicContact CE3-CG1 4.17Å; W29-V127 HydrophobicContact CG-CG1 3.58Å; W29-V127 HydrophobicContact CZ2-CG1 4.45Å; W29-V129 HydrophobicContact CH2-CG2 4.12Å; W29-V129 HydrophobicContact CZ2-CG1 4.47Å; W29-V129 HydrophobicContact CZ2-CG2 3.59Å; W29-L134 HydrophobicContact CH2-CD2 4.19Å; W29-L134 HydrophobicContact CZ3-CD2 3.98Å
30G93.6Very high87.7Confident0 Ų033.8 Ų33.80%022%0.218CC..EExtended strand (participates in β ladder)trans-174.5170.4-176.600000113.9H10 P13 S32 A39 S40H10-G30 PolarHBondContact CE1-N 2.84Å; H10-G30 PolarHBondContact ND1-O 2.91Å; P13-G30 CarbonylContact O-C 3.46Å; P13-G30 WeakPolarHBondContact O-CA 3.46Å; G30-S32 PolarHBondContact O-N 3.23Å; G30-A39 CarbonylContact O-C 3.46Å; G30-A39 WeakPolarHBondContact O-CA 3.22Å; G30-A39 WeakPolarHBondContact O-CB 3.35Å; G30-S40 PolarHBondContact N-O 3.44Å; G30-S40 PolarHBondContact O-N 2.87Å
31G91.1Very high87.7Confident11 Ų1133.6 Ų33.611%0.11322%0.216CC..EExtended strand (participates in β ladder)trans-57.9133.2-17700000112.6H10 T11 G12 P13 S38H10-G31 WeakPolarHBondContact CB-O 3.49Å; T11-G31 PolarHBondContact N-O 2.81Å; G12-G31 PolarHBondContact N-O 3.27Å; P13-G31 PolarHBondContact O-N 2.75Å; G31-S38 WeakPolarHBondContact CA-O 3.47Å
32S85.6Confident88Confident11 Ų1133.4 Ų33.48%0.07721%0.208CC..  trans-88.6-6-178.783.30000113.9T11 G30 L34 S38 N67T11-S32 PolarHBondContact OG1-O 2.95Å; G30-S32 PolarHBondContact O-N 3.23Å; S32-L34 PolarHBondContact O-N 2.98Å; S32-L34 VanDerWaalsContact O-N 3.08Å; S32-L34 WeakPolarHBondContact OG-CG 3.47Å; S32-S38 PolarHBondContact N-O 3.36Å; S32-S38 WeakPolarHBondContact OG-CB 3.36Å; S32-S38 PolarHBondContact OG-OG 3.11Å; S32-N67 WeakPolarHBondContact CB-OD1 3.45Å
33G81Confident88.2Confident54 Ų5431 Ų3156%0.55720%0.195SC*.SBendtrans70.4-5.3-179.500000114.7T11T11-G33 WeakPolarHBondContact OG1-CA 3.48Å; T11-G33 PolarHBondContact OG1-N 3.21Å; T11-G33 VanDerWaalsContact OG1-N 3.13Å
34L79.5Confident88.3Confident63 Ų6329.3 Ų29.333%0.3318%0.176SC..SBendtrans-67-48.7176.3-66.1-172.2000111.9S32 S38 N67 A80 F85S32-L34 PolarHBondContact O-N 2.98Å; S32-L34 VanDerWaalsContact O-N 3.08Å; S32-L34 WeakPolarHBondContact OG-CG 3.47Å; L34-S38 PolarHBondContact N-OG 3.31Å; L34-N67 HydrophobicContact CD1-CB 3.75Å; L34-N67 WeakPolarHBondContact CD1-ND2 3.42Å; L34-A80 HydrophobicContact CD1-CB 4.17Å; L34-F85 HydrophobicContact CD2-CE2 4Å; L34-F85 HydrophobicContact CD2-CZ 3.78Å
35T80.5Confident88Confident69 Ų6926.6 Ų26.642%0.42316%0.163SC..SBendtrans-143162.6174.775.30000109.8N37 S38T35-N37 PolarHBondContact O-N 2.76Å; T35-N37 VanDerWaalsContact O-N 3.09Å; T35-N37 PolarHBondContact OG1-N 3.45Å; T35-S38 PolarHBondContact N-OG 2.87Å; T35-S38 WeakPolarHBondContact O-CB 3.34Å; T35-S38 PolarHBondContact O-N 3.24Å; T35-S38 PolarHBondContact O-OG 3.04Å; T35-S38 WeakPolarHBondContact OG1-CB 3.41Å; T35-S38 PolarHBondContact OG1-N 2.99Å
36V78.2Confident87.2Confident150 Ų15029.2 Ų29.291%0.90918%0.18SC*.THydrogen-bonded Turntrans-57.7-22.8173.8-64.50000113.2
37N82.6Confident85.9Confident68 Ų6827.9 Ų27.936%0.36417%0.174SC..THydrogen-bonded Turntrans-105.421178.8-69.9-22000112T35 L70T35-N37 PolarHBondContact O-N 2.76Å; T35-N37 VanDerWaalsContact O-N 3.09Å; T35-N37 PolarHBondContact OG1-N 3.45Å; N37-L70 HydrophobicContact CB-CB 4.3Å; N37-L70 VanDerWaalsContact O-CA 3.32Å; N37-L70 WeakPolarHBondContact O-CA 3.41Å; N37-L70 WeakPolarHBondContact O-CB 3.39Å; N37-L70 WeakPolarHBondContact O-CG 3.34Å; N37-L70 PolarHBondContact O-N 2.85Å
38S86.6Confident84.2Confident5 Ų533.9 Ų33.94%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-111.3135.2-17969.20000111.4G31 S32 L34 T35 I68G31-S38 WeakPolarHBondContact CA-O 3.47Å; S32-S38 PolarHBondContact N-O 3.36Å; S32-S38 WeakPolarHBondContact OG-CB 3.36Å; S32-S38 PolarHBondContact OG-OG 3.11Å; L34-S38 PolarHBondContact N-OG 3.31Å; T35-S38 PolarHBondContact N-OG 2.87Å; T35-S38 WeakPolarHBondContact O-CB 3.34Å; T35-S38 PolarHBondContact O-N 3.24Å; T35-S38 PolarHBondContact O-OG 3.04Å; T35-S38 WeakPolarHBondContact OG1-CB 3.41Å; T35-S38 PolarHBondContact OG1-N 2.99Å; S38-I68 WeakPolarHBondContact CA-O 3.48Å
39A90.5Very high82.3Confident2 Ų235.7 Ų35.72%0.01723%0.232CC..EExtended strand (participates in β ladder)trans-135155.717500000110.4W29 G30 I68 L70W29-A39 HydrophobicContact CD2-CB 4.26Å; W29-A39 HydrophobicContact CE3-CB 4.43Å; W29-A39 HydrophobicContact CH2-CB 3.52Å; W29-A39 HydrophobicContact CZ2-CB 3.29Å; W29-A39 HydrophobicContact CZ3-CB 4.09Å; G30-A39 CarbonylContact O-C 3.46Å; G30-A39 WeakPolarHBondContact O-CA 3.22Å; G30-A39 WeakPolarHBondContact O-CB 3.35Å; A39-I68 PolarHBondContact N-O 3.15Å; A39-I68 PolarHBondContact O-N 2.84Å; A39-L70 HydrophobicContact CB-CD1 4.35Å
40S91.6Very high80.5Confident0 Ų037.3 Ų37.30%024%0.241CC..EExtended strand (participates in β ladder)trans-124.9141.4178.563.90000109.3H10 W29 G30 R42 N67H10-S40 PolarHBondContact CE1-O 2.81Å; H10-S40 PolarHBondContact CE1-OG 2.73Å; H10-S40 PolarHBondContact ND1-OG 2.95Å; W29-S40 VanDerWaalsContact CE3-C 3.46Å; G30-S40 PolarHBondContact N-O 3.44Å; G30-S40 PolarHBondContact O-N 2.87Å; S40-R42 PolarHBondContact OG-NE 2.78Å; S40-N67 WeakPolarHBondContact CB-OD1 3.17Å
41L92.5Very high78.6Confident0 Ų042.4 Ų42.40%028%0.275CS..EExtended strand (participates in β ladder)trans-95.2132.7167.1-177.864.2000108.4I27 W29 N64 F65 I125 V127 S136I27-L41 HydrophobicContact CG2-CD1 3.51Å; W29-L41 HydrophobicContact CE3-CB 3.81Å; W29-L41 HydrophobicContact CE3-CD1 4.32Å; W29-L41 HydrophobicContact CZ3-CB 3.99Å; L41-N64 PolarHBondContact O-OD1 2.86Å; L41-F65 HydrophobicContact CB-CB 4.19Å; L41-F65 HydrophobicContact CB-CD2 4.26Å; L41-F65 HydrophobicContact CB-CG 4.49Å; L41-F65 HydrophobicContact CD2-CD2 4.11Å; L41-F65 HydrophobicContact CD2-CG 4.19Å; L41-F65 HydrophobicContact CG-CD2 3.89Å; L41-F65 HydrophobicContact CG-CE2 4.44Å; L41-F65 HydrophobicContact CG-CG 4.35Å; L41-F65 WeakPolarHBondContact O-CD2 3.37Å; L41-F65 PolarHBondContact O-N 2.89Å; L41-F65 VanDerWaalsContact O-N 3.11Å; L41-I125 HydrophobicContact CD1-CG2 4.22Å; L41-I125 HydrophobicContact CD2-CB 4.39Å; L41-I125 HydrophobicContact CD2-CD1 4.01Å; L41-I125 HydrophobicContact CD2-CG2 4.1Å; L41-V127 HydrophobicContact CD1-CG2 4.06Å; L41-V127 HydrophobicContact CD2-CG2 4.46Å; L41-S136 WeakPolarHBondContact CD2-OG 3.17Å
42R91.9Very high76.9Confident47 Ų4748.6 Ų48.618%0.17731%0.306CS..EExtended strand (participates in β ladder)trans-132.3138.6179.9-64.4175.5-179.8-116.3-0.2110.3A9 I27 S28 S40 W44 V63A9-R42 WeakPolarHBondContact O-CD 3.43Å; A9-R42 PolarHBondContact O-NE 3.16Å; I27-R42 CarbonylContact C-O 3.58Å; I27-R42 WeakPolarHBondContact CA-O 3.34Å; S28-R42 PolarHBondContact N-O 3.33Å; S28-R42 PolarHBondContact O-N 3.26Å; S40-R42 PolarHBondContact OG-NE 2.78Å; R42-W44 HydrophobicContact CB-CZ2 4.1Å; R42-V63 WeakPolarHBondContact CA-O 3.49Å
43L89.9Confident75.3Confident0 Ų055 Ų550%033%0.334CS..EExtended strand (participates in β ladder)trans-108.4133.9169176.598.9000108.4H25 L26 I27 P62 V63 F65 L117 W118 L123H25-L43 HydrophobicContact CB-CD1 3.4Å; H25-L43 VanDerWaalsContact CB-CD1 3.4Å; H25-L43 HydrophobicContact CB-CD2 4.49Å; H25-L43 HydrophobicContact CB-CG 3.91Å; L26-L43 CarbonylContact O-C 3.51Å; L26-L43 WeakPolarHBondContact O-CA 3.32Å; I27-L43 HydrophobicContact CD1-CD1 4.07Å; I27-L43 HydrophobicContact CG1-CD1 3.93Å; L43-P62 CarbonylContact O-C 3.39Å; L43-P62 WeakPolarHBondContact O-CA 3.24Å; L43-V63 HydrophobicContact CB-CB 4.35Å; L43-V63 HydrophobicContact CD2-CB 4.47Å; L43-V63 PolarHBondContact N-O 2.78Å; L43-V63 PolarHBondContact O-N 3.29Å; L43-F65 HydrophobicContact CB-CE2 3.66Å; L43-F65 HydrophobicContact CB-CZ 4.2Å; L43-L117 HydrophobicContact CD1-CD2 3.99Å; L43-L117 HydrophobicContact CD2-CD1 4.12Å; L43-L117 HydrophobicContact CD2-CD2 3.59Å; L43-L117 HydrophobicContact CD2-CG 3.98Å; L43-L117 HydrophobicContact CG-CD2 4.44Å; L43-W118 HydrophobicContact CD2-CE3 4.29Å; L43-W118 HydrophobicContact CD2-CZ3 3.61Å; L43-L123 HydrophobicContact CD1-CD1 3.6Å
44W89.8Confident73.9Confident6 Ų658.3 Ų58.32%0.02335%0.349CS..EExtended strand (participates in β ladder)trans-116124.1-178.1-49.581.7000109.3S7 A9 H25 L26 S28 R42 L60 R61 P62S7-W44 WeakPolarHBondContact OG-CZ3 3.21Å; A9-W44 VanDerWaalsContact CA-CZ2 3.49Å; A9-W44 HydrophobicContact CB-CH2 4.24Å; A9-W44 HydrophobicContact CB-CZ2 3.78Å; H25-W44 VanDerWaalsContact CA-O 3.32Å; H25-W44 WeakPolarHBondContact CA-O 3.3Å; L26-W44 HydrophobicContact CB-CB 4.09Å; L26-W44 HydrophobicContact CB-CG 4.46Å; L26-W44 PolarHBondContact N-O 3.25Å; L26-W44 VanDerWaalsContact O-CD1 3.25Å; L26-W44 PolarHBondContact O-N 2.73Å; S28-W44 PolarHBondContact OG-NE1 3.43Å; R42-W44 HydrophobicContact CB-CZ2 4.1Å; W44-L60 HydrophobicContact CB-CB 4.18Å; W44-L60 HydrophobicContact CB-CD1 4.43Å; W44-L60 HydrophobicContact CB-CD2 4.22Å; W44-L60 HydrophobicContact CE3-CB 3.97Å; W44-R61 WeakPolarHBondContact CA-O 3.36Å; W44-P62 HydrophobicContact CD2-CB 4.09Å; W44-P62 HydrophobicContact CE3-CB 3.71Å; W44-P62 HydrophobicContact CE3-CG 4.12Å; W44-P62 HydrophobicContact CH2-CB 3.62Å; W44-P62 HydrophobicContact CH2-CG 3.84Å; W44-P62 HydrophobicContact CZ2-CB 4Å; W44-P62 HydrophobicContact CZ3-CB 3.49Å; W44-P62 VanDerWaalsContact CZ3-CB 3.49Å; W44-P62 VanDerWaalsContact CZ3-CD 3.5Å; W44-P62 HydrophobicContact CZ3-CG 3.54Å
45T80Confident72.6Confident31 Ų3158.7 Ų58.719%0.1936%0.357CS..EExtended strand (participates in β ladder)trans-109.9140.4176.3-173.70000109.8H25 R61H25-T45 PolarHBondContact CE1-OG1 3.29Å; H25-T45 WeakPolarHBondContact ND1-CB 3.34Å; T45-R61 PolarHBondContact N-O 3.09Å; T45-R61 PolarHBondContact O-N 3.26Å; T45-R61 VanDerWaalsContact O-N 3.16Å
46P70.6Confident71.5Confident59 Ų5964.4 Ų64.438%0.38338%0.379SS..  trans-63.7142.5164.727.8-32000109.5L24 P58L24-P46 VanDerWaalsContact O-CD 3.3Å; L24-P46 WeakPolarHBondContact O-CD 3.43Å; P46-P58 HydrophobicContact CB-CB 4.22Å
47G64.7Low70.6Confident3 Ų360 Ų603%0.03135%0.349CS..  trans-65.9147.9176.800000111.7G49 D50G47-G49 PolarHBondContact O-N 3.29Å; G47-D50 WeakPolarHBondContact CA-OD2 3.35Å; G47-D50 PolarHBondContact N-OD2 2.95Å; G47-D50 WeakPolarHBondContact O-CB 3.4Å; G47-D50 PolarHBondContact O-N 2.71Å
48P58.2Low69.5Low127 Ų12760 Ų6083%0.82535%0.353SS*.THydrogen-bonded Turntrans-61.3-4.5-179.721.5-32.2000115.4
49G55.7Low68.4Low38 Ų3866.7 Ų66.739%0.39238%0.377SS..THydrogen-bonded Turntrans-116.96174.600000114.3G47 C51G47-G49 PolarHBondContact O-N 3.29Å; G49-C51 VanDerWaalsContact C-N 3.32Å
50D56Low67.5Low40 Ų4069.7 Ų69.721%0.21439%0.393CS..SBendtrans-80.6-15.8-177.1-66.9-14.5000112.5G47 P58 R59G47-D50 WeakPolarHBondContact CA-OD2 3.35Å; G47-D50 PolarHBondContact N-OD2 2.95Å; G47-D50 WeakPolarHBondContact O-CB 3.4Å; G47-D50 PolarHBondContact O-N 2.71Å; D50-P58 HydrophobicContact CB-CB 4.32Å; D50-R59 WeakPolarHBondContact OD2-CA 3.47Å; D50-R59 WeakPolarHBondContact OD2-CB 3.43Å; D50-R59 PolarHBondContact OD2-N 2.82Å
51C54.8Low66.5Low107 Ų10776.2 Ų76.272%0.72342%0.417SS*.SBendtrans-85.9-17.2176.933.40000114.3G49G49-C51 VanDerWaalsContact C-N 3.32Å
52D54.8Low65.6Low140 Ų14079.1 Ų79.175%0.74944%0.436SS*.SBendtrans-106.7-2.6-168.8-70.2-19.1000114.6
53Q51.7Low64.7Low146 Ų14678.7 Ų78.768%0.68244%0.439SS*.SBendtrans-118.4136.6179-62.5-16923.600111.1S55Q53-S55 PolarHBondContact O-N 2.77Å
54S51.5Low64Low124 Ų12481.8 Ų81.887%0.86746%0.455SS*.SBendtrans-57.88.1-176.555.20000116.4
55S53.2Low63.3Low71 Ų7182.5 Ų82.550%0.49746%0.458SS..  trans-88.7102.8164.270.10000109.3Q53 I57Q53-S55 PolarHBondContact O-N 2.77Å; S55-I57 PolarHBondContact O-N 3.23Å
56H56.5Low62.8Low189 Ų18981.6 Ų81.688%0.87546%0.456SS*.  trans-60.323.1-179.3-74.6-80.8000116.4
57I59.2Low63.1Low56 Ų5680.3 Ų80.329%0.28745%0.445SS..  trans-130.2105.9-169.3-52.6-178.1000109I3 Q5 S55I3-I57 HydrophobicContact CG1-CD1 4.4Å; I3-I57 WeakPolarHBondContact O-CD1 3.29Å; Q5-I57 HydrophobicContact CB-CG2 4Å; S55-I57 PolarHBondContact O-N 3.23Å
58P58.8Low63.7Low68 Ų6880.8 Ų80.844%0.44245%0.447SS..  trans-69.3139.8-179.427.3-33.1000111.6P46 D50 L60P46-P58 HydrophobicContact CB-CB 4.22Å; D50-P58 HydrophobicContact CB-CB 4.32Å; P58-L60 PolarHBondContact O-N 2.95Å
59R64.7Low64.6Low147 Ų14776.1 Ų76.156%0.55542%0.416SS*.  trans-87.588172.3-69.8-173170.4-174.72.6109.5D50 R61D50-R59 WeakPolarHBondContact OD2-CA 3.47Å; D50-R59 WeakPolarHBondContact OD2-CB 3.43Å; D50-R59 PolarHBondContact OD2-N 2.82Å; R59-R61 PolarHBondContact O-N 2.55Å
60L70.9Confident65.5Low64 Ų6475.5 Ų75.534%0.33540%0.404SS..  trans-62.3124.4176.4-65.1-179.4000111.6L26 W44 P58L26-L60 HydrophobicContact CD2-CD1 4.28Å; W44-L60 HydrophobicContact CB-CB 4.18Å; W44-L60 HydrophobicContact CB-CD1 4.43Å; W44-L60 HydrophobicContact CB-CD2 4.22Å; W44-L60 HydrophobicContact CE3-CB 3.97Å; P58-L60 PolarHBondContact O-N 2.95Å
61R71Confident66Low138 Ų13877 Ų7752%0.52141%0.412SS..EExtended strand (participates in β ladder)trans-110.4129.4172.9-64.5-169-179.296.2-3.2110.5W44 T45 R59W44-R61 WeakPolarHBondContact CA-O 3.36Å; T45-R61 PolarHBondContact N-O 3.09Å; T45-R61 PolarHBondContact O-N 3.26Å; T45-R61 VanDerWaalsContact O-N 3.16Å; R59-R61 PolarHBondContact O-N 2.55Å
62P74.4Confident65.8Low60 Ų6076.3 Ų76.339%0.3941%0.408SS..EExtended strand (participates in β ladder)trans-82.1135.1179.929.1-28000111.9L43 W44L43-P62 CarbonylContact O-C 3.39Å; L43-P62 WeakPolarHBondContact O-CA 3.24Å; W44-P62 HydrophobicContact CD2-CB 4.09Å; W44-P62 HydrophobicContact CE3-CB 3.71Å; W44-P62 HydrophobicContact CE3-CG 4.12Å; W44-P62 HydrophobicContact CH2-CB 3.62Å; W44-P62 HydrophobicContact CH2-CG 3.84Å; W44-P62 HydrophobicContact CZ2-CB 4Å; W44-P62 HydrophobicContact CZ3-CB 3.49Å; W44-P62 VanDerWaalsContact CZ3-CB 3.49Å; W44-P62 VanDerWaalsContact CZ3-CD 3.5Å; W44-P62 HydrophobicContact CZ3-CG 3.54Å
63V72.9Confident65.7Low39 Ų3979.2 Ų79.224%0.23642%0.418CS..EExtended strand (participates in β ladder)trans-96.9116.9157.1178.60000106.1R42 L43 W118R42-V63 WeakPolarHBondContact CA-O 3.49Å; L43-V63 HydrophobicContact CB-CB 4.35Å; L43-V63 HydrophobicContact CD2-CB 4.47Å; L43-V63 PolarHBondContact N-O 2.78Å; L43-V63 PolarHBondContact O-N 3.29Å; V63-W118 HydrophobicContact CB-CH2 4.17Å; V63-W118 HydrophobicContact CB-CZ3 4.47Å; V63-W118 HydrophobicContact CG1-CH2 3.86Å; V63-W118 HydrophobicContact CG2-CH2 3.42Å; V63-W118 VanDerWaalsContact CG2-CH2 3.42Å; V63-W118 HydrophobicContact CG2-CZ2 4.15Å; V63-W118 HydrophobicContact CG2-CZ3 3.67Å
64N75.4Confident65.4Low64 Ų6474.2 Ų74.234%0.34240%0.399SS..EExtended strand (participates in β ladder)trans-93.8125-178.3-170.4-1.8000109.7L41 G66L41-N64 PolarHBondContact O-OD1 2.86Å; N64-G66 PolarHBondContact O-N 3.45Å; N64-G66 PolarHBondContact OD1-N 3.44Å; N64-G66 PolarHBondContact OD1-O 3.23Å
65F74.1Confident65.1Low21 Ų2173.6 Ų73.69%0.09239%0.386CS..EExtended strand (participates in β ladder)trans-81.66.5175.3-68.7-95.5000113.1L41 L43 I125 A138 T143L41-F65 HydrophobicContact CB-CB 4.19Å; L41-F65 HydrophobicContact CB-CD2 4.26Å; L41-F65 HydrophobicContact CB-CG 4.49Å; L41-F65 HydrophobicContact CD2-CD2 4.11Å; L41-F65 HydrophobicContact CD2-CG 4.19Å; L41-F65 HydrophobicContact CG-CD2 3.89Å; L41-F65 HydrophobicContact CG-CE2 4.44Å; L41-F65 HydrophobicContact CG-CG 4.35Å; L41-F65 WeakPolarHBondContact O-CD2 3.37Å; L41-F65 PolarHBondContact O-N 2.89Å; L41-F65 VanDerWaalsContact O-N 3.11Å; L43-F65 HydrophobicContact CB-CE2 3.66Å; L43-F65 HydrophobicContact CB-CZ 4.2Å; F65-I125 HydrophobicContact CE2-CD1 4.41Å; F65-I125 HydrophobicContact CZ-CD1 4.17Å; F65-A138 HydrophobicContact CE1-CB 3.49Å; F65-A138 VanDerWaalsContact CE1-CB 3.49Å; F65-A138 HydrophobicContact CZ-CB 3.43Å; F65-A138 VanDerWaalsContact CZ-CB 3.43Å; F65-T143 HydrophobicContact CD1-CG2 3.88Å; F65-T143 HydrophobicContact CE1-CG2 3.57Å; F65-T143 HydrophobicContact CZ-CG2 4.46Å
66G70.3Confident64.6Low13 Ų1376.2 Ų76.213%0.13439%0.39CS..EExtended strand (participates in β ladder)trans100.3172.2-174.300000112.1N64N64-G66 PolarHBondContact O-N 3.45Å; N64-G66 PolarHBondContact OD1-N 3.44Å; N64-G66 PolarHBondContact OD1-O 3.23Å
67N75.7Confident64.3Low31 Ų3170 Ų7017%0.16636%0.363CS..EExtended strand (participates in β ladder)trans-101.2130176.4-62.5-36.4000108.6S32 L34 S40 F78 A80S32-N67 WeakPolarHBondContact CB-OD1 3.45Å; L34-N67 HydrophobicContact CD1-CB 3.75Å; L34-N67 WeakPolarHBondContact CD1-ND2 3.42Å; S40-N67 WeakPolarHBondContact CB-OD1 3.17Å; N67-F78 VanDerWaalsContact O-O 3.06Å; N67-A80 HydrophobicContact CB-CB 4.48Å
68I77.2Confident63.8Low13 Ų1371.8 Ų71.87%0.06737%0.369CS..EExtended strand (participates in β ladder)trans-102.9116.9-179.4-60180000107.9W29 S38 A39 L70 L77 L134W29-I68 HydrophobicContact CH2-CB 4.06Å; W29-I68 HydrophobicContact CH2-CD1 3.87Å; W29-I68 HydrophobicContact CH2-CG1 4.39Å; W29-I68 HydrophobicContact CH2-CG2 4.5Å; W29-I68 HydrophobicContact CZ3-CD1 3.89Å; S38-I68 WeakPolarHBondContact CA-O 3.48Å; A39-I68 PolarHBondContact N-O 3.15Å; A39-I68 PolarHBondContact O-N 2.84Å; I68-L70 HydrophobicContact CG2-CD2 3.78Å; I68-L70 PolarHBondContact O-N 3.01Å; I68-L77 HydrophobicContact CB-CD2 4.41Å; I68-L77 HydrophobicContact CD1-CD2 4.31Å; I68-L77 HydrophobicContact CG1-CD2 4.17Å; I68-L77 HydrophobicContact CG2-CD2 3.57Å; I68-L134 HydrophobicContact CD1-CD1 3.71Å; I68-L134 HydrophobicContact CD1-CD2 3.26Å; I68-L134 HydrophobicContact CD1-CG 4.11Å
69V78Confident63Low30 Ų3074.1 Ų74.118%0.18238%0.378CS..EExtended strand (participates in β ladder)trans-85.5110.3174.8-1760000109N71V69-N71 HydrophobicContact CG1-CB 4.37Å; V69-N71 WeakPolarHBondContact CG1-OD1 3.49Å; V69-N71 PolarHBondContact O-N 2.76Å
70L75.3Confident61.9Low25 Ų2568.6 Ų68.613%0.13136%0.363CS..  trans-81.455.5179.3-47.1-179.7000110.6N37 A39 I68 V129 K130N37-L70 HydrophobicContact CB-CB 4.3Å; N37-L70 VanDerWaalsContact O-CA 3.32Å; N37-L70 WeakPolarHBondContact O-CA 3.41Å; N37-L70 WeakPolarHBondContact O-CB 3.39Å; N37-L70 WeakPolarHBondContact O-CG 3.34Å; N37-L70 PolarHBondContact O-N 2.85Å; A39-L70 HydrophobicContact CB-CD1 4.35Å; I68-L70 HydrophobicContact CG2-CD2 3.78Å; I68-L70 PolarHBondContact O-N 3.01Å; L70-V129 HydrophobicContact CD1-CG1 4.26Å; L70-V129 HydrophobicContact CD2-CG1 3.11Å; L70-V129 HydrophobicContact CG-CG1 4.27Å; L70-K130 VanDerWaalsContact O-CE 3.31Å; L70-K130 WeakPolarHBondContact O-CE 3.46Å; L70-K130 PolarHBondContact O-NZ 3.17Å
71N65.8Low60.5Low71 Ų7175.9 Ų75.938%0.3839%0.386SS..  trans-75.8151.7171.2-73.7-8.3000110.4V69V69-N71 HydrophobicContact CG1-CB 4.37Å; V69-N71 WeakPolarHBondContact CG1-OD1 3.49Å; V69-N71 PolarHBondContact O-N 2.76Å
72S51.2Low58.8Low93 Ų9376.7 Ų76.765%0.6540%0.401SS*.SBendtrans-70.6134.9175.3-43.70000108.4S74S72-S74 PolarHBondContact O-N 3.43Å
73E51.2Low57.1Low201 Ų20180 Ų8094%0.93941%0.411SS*.SBendtrans77.8-7.5166.6-51.9-174.117100119.7
74S45.6Very low55.1Low41 Ų4184.7 Ų84.729%0.28744%0.44SS..  trans-106.5126.2171.664.10000112.4S72 Q76 R132S72-S74 PolarHBondContact O-N 3.43Å; S74-Q76 PolarHBondContact O-N 2.89Å; S74-R132 PolarHBondContact O-NH1 3.24Å; S74-R132 VanDerWaalsContact O-NH1 3.17Å
75D44.9Very low53.3Low111 Ų11188.3 Ų88.359%0.59445%0.453SS*.  trans-75.25169.3-73.3-33.9000113.6L77 R132D75-L77 PolarHBondContact O-N 2.85Å; D75-R132 IonicContact OD1-CZ 3.92Å; D75-R132 IonicContact OD1-NH1 2.75Å; D75-R132 PolarHBondContact OD1-NH1 2.9Å
76Q44.1Very low51.4Low126 Ų12693.7 Ų93.759%0.58949%0.488SS*.  trans-78.8109.9179.1-62.4-167.721.600111.2S74 F78S74-Q76 PolarHBondContact O-N 2.89Å; Q76-F78 HydrophobicContact CB-CE2 4.02Å; Q76-F78 HydrophobicContact CB-CZ 4.04Å; Q76-F78 PolarHBondContact O-N 3.41Å
77L49.8Very low49.8Very low58 Ų5898.4 Ų98.430%0.30452%0.518SS..  trans-74.7110.2163.6-67.2170.6000108.1I68 D75 D79 T145I68-L77 HydrophobicContact CB-CD2 4.41Å; I68-L77 HydrophobicContact CD1-CD2 4.31Å; I68-L77 HydrophobicContact CG1-CD2 4.17Å; I68-L77 HydrophobicContact CG2-CD2 3.57Å; D75-L77 PolarHBondContact O-N 2.85Å; L77-D79 PolarHBondContact O-N 3.24Å; L77-T145 WeakPolarHBondContact CD1-OG1 3.34Å
78F48Very low47.9Very low93 Ų93102.1 Ų102.141%0.40855%0.547SS..  trans-86108.2174.2-69.4-75.9000110.1N67 Q76 A80N67-F78 VanDerWaalsContact O-O 3.06Å; Q76-F78 HydrophobicContact CB-CE2 4.02Å; Q76-F78 HydrophobicContact CB-CZ 4.04Å; Q76-F78 PolarHBondContact O-N 3.41Å; F78-A80 PolarHBondContact O-N 3.2Å
79D42.1Very low45.9Very low118 Ų118109.2 Ų109.263%0.63159%0.585SS**  trans-73.795.7172.7-144.9-1000109L77 R81L77-D79 PolarHBondContact O-N 3.24Å; D79-R81 PolarHBondContact O-N 3.19Å
80A42.6Very low44.1Very low30 Ų30113.2 Ų113.225%0.24861%0.614CS.*G310 helixtrans-72.621.3-167.700000115.2L34 N67 F78 N82L34-A80 HydrophobicContact CD1-CB 4.17Å; N67-A80 HydrophobicContact CB-CB 4.48Å; F78-A80 PolarHBondContact O-N 3.2Å; A80-N82 PolarHBondContact O-N 3.34Å
81R40.9Very low42.3Very low218 Ų218118.3 Ų118.382%0.82365%0.652SS**G310 helixtrans-63.4-14.4-173.1-118.2176.1-180167.51.2114.7D79D79-R81 PolarHBondContact O-N 3.19Å
82N36.1Very low41Very low154 Ų154118.3 Ų118.382%0.82467%0.669SS**G310 helixtrans-130.617.1-172-78.3-10.9000116.8A80A80-N82 PolarHBondContact O-N 3.34Å
83Q37.1Very low40.6Very low130 Ų130119.9 Ų119.961%0.60768%0.68SS**  trans-94.7109.6177.9-65.9-165.313.800112.6
84T31Very low39.7Very low138 Ų138113.1 Ų113.185%0.84766%0.664SS**  trans-75.2117.6165.9-39.40000108.7T86T84-T86 PolarHBondContact O-N 3.5Å
85F39.3Very low39.3Very low140 Ų140119.2 Ų119.261%0.61469%0.693SS**  trans-80.4119.9-178-67.1-81.2000111.4L34L34-F85 HydrophobicContact CD2-CE2 4Å; L34-F85 HydrophobicContact CD2-CZ 3.78Å
86T32.9Very low38.9Very low134 Ų134123.4 Ų123.482%0.82271%0.71SS**  trans-92.7109.2157.351.30000108.3T84 S88T84-T86 PolarHBondContact O-N 3.5Å; T86-S88 PolarHBondContact O-N 2.73Å
87S36.6Very low38.6Very low111 Ų111122 Ų12278%0.77671%0.713SS**  trans-73.7102.7173.6540000110.3
88S36.6Very low38Very low109 Ų109125 Ų12576%0.76274%0.736SS**  trans-91.4108.3161.654.40000109.3T86 S90T86-S88 PolarHBondContact O-N 2.73Å; S88-S90 PolarHBondContact O-N 3.39Å
89N35.7Very low37.5Very low163 Ų163129.8 Ų129.887%0.87276%0.76SS**  trans-65112.1169.7-78-19.3000109.9
90S39.9Very low38Very low113 Ų113129.1 Ų129.179%0.7976%0.764SS**  trans-109103.3161.161.10000109.1S88 G92S88-S90 PolarHBondContact O-N 3.39Å; S90-G92 PolarHBondContact O-N 3.22Å
91S37.2Very low39Very low132 Ų132131.8 Ų131.892%0.92378%0.781SS**  trans-69.499.6166.449.30000109.3
92G39.2Very low40.6Very low71 Ų71125.4 Ų125.473%0.73277%0.767SS**  trans-119.4116.1176.500000111S90S90-G92 PolarHBondContact O-N 3.22Å
93S41.8Very low43Very low127 Ų127121.5 Ų121.589%0.88875%0.745SS**  trans-57138.3178.1178.50000114.3
94G32.3Very low45.6Very low59 Ų59119.5 Ų119.561%0.60874%0.744SS**  trans62.287.8135.100000119.4
95N38Very low48.7Very low168 Ų168113.8 Ų113.890%0.89871%0.708SS**  trans-168.1121.2131.2-92.9-24.6000108.2S97N95-S97 PolarHBondContact O-N 3.18Å
96Q36.1Very low51.5Low200 Ų200113.6 Ų113.694%0.93570%0.703SS**  trans-62.7100.5176.1-65.417927.600108.3
97S36.5Very low54.5Low96 Ų96107.4 Ų107.467%0.67167%0.665SS**  trans-58137.9168.755.30000108.6N95 Q99N95-S97 PolarHBondContact O-N 3.18Å; S97-Q99 PolarHBondContact O-N 2.91Å; S97-Q99 VanDerWaalsContact O-N 3.1Å
98P38.4Very low57.4Low121 Ų121102.6 Ų102.679%0.78663%0.63SS**  trans-54.8125.7174.123.7-31.3000107.5S100P98-S100 PolarHBondContact O-N 3.29Å
99Q38.1Very low60.1Low194 Ų19497.6 Ų97.691%0.90760%0.595SS**  trans-57.791.2170.6-84.5-179-29.800107.3S97 S101S97-Q99 PolarHBondContact O-N 2.91Å; S97-Q99 VanDerWaalsContact O-N 3.1Å; Q99-S101 PolarHBondContact O-N 3.01Å
100S52.4Low62.8Low103 Ų10390.4 Ų90.472%0.7256%0.557SS**  trans-61.3105.5171.6-179.20000105.8P98 V102P98-S100 PolarHBondContact O-N 3.29Å; S100-V102 PolarHBondContact O-N 2.98Å
101S62.3Low65.2Low86 Ų8689 Ų8960%0.60154%0.538SS*.  trans-64.7105.8178.354.30000107.8Q99 L103Q99-S101 PolarHBondContact O-N 3.01Å; S101-L103 VanDerWaalsContact C-N 3.31Å; S101-L103 PolarHBondContact O-N 3.48Å
102V76.1Confident67.4Low85 Ų8583.8 Ų83.852%0.51551%0.505SS..  trans-74.292.3177.6-167.50000107.5L15 S100L15-V102 HydrophobicContact CD1-CG1 3.78Å; L15-V102 HydrophobicContact CD2-CB 4.28Å; L15-V102 HydrophobicContact CD2-CG1 3.44Å; L15-V102 VanDerWaalsContact CD2-CG1 3.44Å; L15-V102 HydrophobicContact CG-CG1 4.26Å; S100-V102 PolarHBondContact O-N 2.98Å
103L85.5Confident69.1Low72 Ų7284.3 Ų84.338%0.37750%0.497SS..  trans-73.7141.1179.9-62.4177.6000111.4S101S101-L103 VanDerWaalsContact C-N 3.31Å; S101-L103 PolarHBondContact O-N 3.48Å
104P92.8Very high70.7Confident88 Ų8884 Ų8457%0.57148%0.484SS*.  trans-54.7156.5169.6-24.633.8000112.9L15L15-P104 CarbonylContact O-C 3.48Å; L15-P104 WeakPolarHBondContact O-CA 3.12Å; L15-P104 WeakPolarHBondContact O-CB 3.26Å
105I95.4Very high73Confident18 Ų1883.7 Ų83.79%0.09248%0.481CS..  trans-125.1150.1177.957.799.2000109.6L15 L107 V127 P128 R156L15-I105 HydrophobicContact CB-CG1 4.49Å; L15-I105 PolarHBondContact O-N 2.74Å; I105-L107 HydrophobicContact CD1-CB 3.87Å; I105-L107 HydrophobicContact CD1-CD2 4.35Å; I105-V127 HydrophobicContact CD1-CG1 3.95Å; I105-P128 HydrophobicContact CB-CB 4.12Å; I105-P128 HydrophobicContact CD1-CB 4.24Å; I105-P128 HydrophobicContact CD1-CG 4.28Å; I105-P128 HydrophobicContact CG2-CB 4.27Å; I105-R156 WeakPolarHBondContact CA-O 3.46Å
106R97.2Very high75.2Confident136 Ų13679.2 Ų79.251%0.51346%0.457SS..BIsolated β-bridgetrans-95111.2170.6-175.3172.5-174-109.73.8109P128 R156 A157 C158R106-P128 WeakPolarHBondContact O-CG 3.47Å; R106-R156 PolarHBondContact N-O 3.26Å; R106-R156 VanDerWaalsContact N-O 3.11Å; R106-A157 HydrophobicContact CB-CB 3.74Å; R106-A157 HydrophobicContact CG-CB 4.5Å; R106-A157 CarbonylContact O-C 3.57Å; R106-A157 WeakPolarHBondContact O-CA 3.37Å; R106-C158 PolarHBondContact O-N 3.24Å
107L97Very high77.4Confident4 Ų469.7 Ų69.72%0.02141%0.413CS..  trans-96.8161.4173.373.787.6000110K18 I27 W29 I105 T109 I125 F126 V127K18-L107 HydrophobicContact CB-CD1 3.38Å; K18-L107 HydrophobicContact CB-CG 4.11Å; K18-L107 HydrophobicContact CG-CD1 4.07Å; I27-L107 HydrophobicContact CG2-CD1 4.22Å; W29-L107 HydrophobicContact CB-CD2 3.83Å; I105-L107 HydrophobicContact CD1-CB 3.87Å; I105-L107 HydrophobicContact CD1-CD2 4.35Å; L107-T109 HydrophobicContact CD1-CG2 4.42Å; L107-I125 HydrophobicContact CD1-CG2 4.42Å; L107-F126 WeakPolarHBondContact CA-O 3.44Å; L107-F126 VanDerWaalsContact CB-O 3.26Å; L107-F126 WeakPolarHBondContact CB-O 3.39Å; L107-V127 HydrophobicContact CB-CG2 4.47Å
108D96.5Very high79.5Confident10 Ų1070.5 Ų70.55%0.05340%0.401CS..EExtended strand (participates in β ladder)trans-141.1166.2176.4-145.63.2000112.6K18 F126 V159 W160K18-D108 WeakPolarHBondContact CE-OD1 3.38Å; K18-D108 IonicContact NZ-OD1 2.69Å; K18-D108 PolarHBondContact NZ-OD1 3.3Å; D108-F126 PolarHBondContact N-O 3.13Å; D108-F126 VanDerWaalsContact N-O 3.13Å; D108-F126 PolarHBondContact O-N 3.31Å; D108-V159 VanDerWaalsContact OD2-CA 3.31Å; D108-V159 WeakPolarHBondContact OD2-CA 3.44Å; D108-V159 WeakPolarHBondContact OD2-CG2 3.32Å; D108-W160 HydrophobicContact CB-CB 4.48Å; D108-W160 PolarHBondContact OD2-N 3.31Å
109T94.1Very high81.2Confident3 Ų368.3 Ų68.32%0.01840%0.401CS..EExtended strand (participates in β ladder)trans-137.9157.7-177.466.60000111.7K18 F19 S21 I27 L107 C124 I125K18-T109 HydrophobicContact CG-CG2 4.3Å; F19-T109 PolarHBondContact O-OG1 2.81Å; S21-T109 PolarHBondContact OG-O 2.64Å; S21-T109 PolarHBondContact OG-OG1 2.84Å; I27-T109 HydrophobicContact CD1-CG2 4.02Å; I27-T109 HydrophobicContact CG1-CG2 4.22Å; L107-T109 HydrophobicContact CD1-CG2 4.42Å; T109-C124 CarbonylContact C-O 3.54Å; T109-C124 VanDerWaalsContact CA-O 3.24Å; T109-C124 WeakPolarHBondContact CA-O 3.26Å; T109-I125 HydrophobicContact CG2-CB 4.39Å; T109-I125 HydrophobicContact CG2-CG1 4.09Å; T109-I125 HydrophobicContact CG2-CG2 4.18Å
110T93.1Very high83.3Confident12 Ų1259.6 Ų59.67%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-140.2174.1165.3-171.30000110.3S21 L123 C124 F126 W160 D162S21-T110 WeakPolarHBondContact OG-CA 3.26Å; T110-L123 WeakPolarHBondContact O-CA 3.5Å; T110-C124 HydrophobicContact CG2-CB 3.85Å; T110-C124 PolarHBondContact N-O 3.33Å; T110-C124 PolarHBondContact O-N 2.86Å; T110-F126 HydrophobicContact CG2-CE2 3.84Å; T110-F126 HydrophobicContact CG2-CZ 4Å; T110-W160 VanDerWaalsContact CB-CD1 3.42Å; T110-W160 VanDerWaalsContact CB-NE1 3.28Å; T110-W160 HydrophobicContact CG2-CD2 4.14Å; T110-W160 HydrophobicContact CG2-CG 4.4Å; T110-W160 HydrophobicContact CG2-CZ2 4.12Å; T110-W160 PolarHBondContact OG1-NE1 2.73Å; T110-D162 PolarHBondContact OG1-OD1 2.87Å
111H89.3Confident84.9Confident84 Ų8457.4 Ų57.439%0.38935%0.346SS..EExtended strand (participates in β ladder)trans-65.3137.1171.7-59.4-65.3000110.2S121 S122H111-S121 WeakPolarHBondContact ND1-CB 3.4Å; H111-S122 CarbonylContact C-O 3.52Å; H111-S122 WeakPolarHBondContact CA-O 3.49Å
112G83.4Confident86Confident22 Ų2253.5 Ų53.523%0.22732%0.319CS..EExtended strand (participates in β ladder)trans-69.2158.4167.400000110.5S122G112-S122 VanDerWaalsContact C-OG 3.26Å; G112-S122 VanDerWaalsContact CA-OG 3.26Å; G112-S122 WeakPolarHBondContact CA-OG 3.48Å; G112-S122 VanDerWaalsContact N-C 3.31Å; G112-S122 PolarHBondContact N-O 2.73Å; G112-S122 PolarHBondContact O-OG 2.78Å
113S74.8Confident86.7Confident82 Ų8249.5 Ų49.557%0.57330%0.295SS*.EExtended strand (participates in β ladder)trans-78-22.9179.447.80000113.1
114I75.4Confident86.9Confident121 Ų12146.5 Ų46.562%0.62128%0.28SS*.EExtended strand (participates in β ladder)trans-144.3132.7-167.9-57.1175.1000110.9S122I114-S122 WeakPolarHBondContact O-CB 3.32Å; I114-S122 PolarHBondContact O-OG 2.95Å
115G80.5Confident87Confident53 Ų5342.3 Ų42.355%0.54625%0.253SS..EExtended strand (participates in β ladder)trans92.8175.6171.200000114.8S122G115-S122 WeakPolarHBondContact O-CB 3.2Å; G115-S122 PolarHBondContact O-N 2.83Å; G115-S122 PolarHBondContact O-OG 2.81Å
116D83.7Confident86.9Confident73 Ų7341.5 Ų41.539%0.3925%0.249SC..EExtended strand (participates in β ladder)trans-110.9167.2174.167.931000110.8A120 S139 K140D116-A120 CarbonylContact C-O 3.47Å; D116-A120 WeakPolarHBondContact CA-O 3.45Å; D116-S139 CarbonylContact O-C 3.47Å; D116-S139 WeakPolarHBondContact O-CA 3.32Å; D116-K140 WeakPolarHBondContact O-CB 3.16Å; D116-K140 PolarHBondContact O-N 3.29Å; D116-K140 WeakPolarHBondContact OD1-CB 3.5Å; D116-K140 VanDerWaalsContact OD1-CD 3.26Å; D116-K140 WeakPolarHBondContact OD1-CD 3.38Å
117L82.7Confident86.9Confident1 Ų135 Ų351%0.00522%0.224CC..SBendtrans-133.574.4176.9-167.267.8000109.4H25 L43 A120 S121 L123 A138H25-L117 PolarHBondContact CE1-O 3.32Å; H25-L117 PolarHBondContact NE2-O 3.17Å; L43-L117 HydrophobicContact CD1-CD2 3.99Å; L43-L117 HydrophobicContact CD2-CD1 4.12Å; L43-L117 HydrophobicContact CD2-CD2 3.59Å; L43-L117 HydrophobicContact CD2-CG 3.98Å; L43-L117 HydrophobicContact CG-CD2 4.44Å; L117-A120 HydrophobicContact CB-CB 4.36Å; L117-A120 PolarHBondContact N-O 2.97Å; L117-A120 WeakPolarHBondContact O-CB 3.45Å; L117-A120 PolarHBondContact O-N 2.75Å; L117-S121 WeakPolarHBondContact CB-O 3.47Å; L117-L123 HydrophobicContact CD2-CB 4.4Å; L117-L123 HydrophobicContact CD2-CD1 3.38Å; L117-L123 HydrophobicContact CD2-CG 3.71Å; L117-A138 HydrophobicContact CD1-CB 4.12Å; L117-A138 HydrophobicContact CD2-CB 4.31Å
118W81Confident86.8Confident113 Ų11335 Ų3543%0.42822%0.224SC..SBendtrans52.156.4-177.6-53.7-75.8000113.5L43 V63L43-W118 HydrophobicContact CD2-CE3 4.29Å; L43-W118 HydrophobicContact CD2-CZ3 3.61Å; V63-W118 HydrophobicContact CB-CH2 4.17Å; V63-W118 HydrophobicContact CB-CZ3 4.47Å; V63-W118 HydrophobicContact CG1-CH2 3.86Å; V63-W118 HydrophobicContact CG2-CH2 3.42Å; V63-W118 VanDerWaalsContact CG2-CH2 3.42Å; V63-W118 HydrophobicContact CG2-CZ2 4.15Å; V63-W118 HydrophobicContact CG2-CZ3 3.67Å
119G74.6Confident86.6Confident75 Ų7534.7 Ų34.777%0.77322%0.222SC*.SBendtrans87.62.8179.700000114.7
120A82.4Confident86.4Confident10 Ų1037.9 Ų37.98%0.08324%0.236CC..SBendtrans-114.6169.8174.500000110.9D22 L24 H25 D116 L117D22-A120 WeakPolarHBondContact OD2-CB 3.47Å; L24-A120 HydrophobicContact CB-CB 4.09Å; L24-A120 HydrophobicContact CD1-CB 3.62Å; L24-A120 HydrophobicContact CG-CB 4.48Å; H25-A120 WeakPolarHBondContact NE2-CB 3.42Å; D116-A120 CarbonylContact C-O 3.47Å; D116-A120 WeakPolarHBondContact CA-O 3.45Å; L117-A120 HydrophobicContact CB-CB 4.36Å; L117-A120 PolarHBondContact N-O 2.97Å; L117-A120 WeakPolarHBondContact O-CB 3.45Å; L117-A120 PolarHBondContact O-N 2.75Å
121S84.2Confident86.3Confident57 Ų5739.9 Ų39.940%0.39925%0.247SC..EExtended strand (participates in β ladder)trans-66.6149.1169.9-66.50000109.8D22 H111 L117D22-S121 PolarHBondContact OD2-N 2.74Å; H111-S121 WeakPolarHBondContact ND1-CB 3.4Å; L117-S121 WeakPolarHBondContact CB-O 3.47Å
122S85.9Confident86.5Confident5 Ų536.8 Ų36.84%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-53160.2163.856.10000110.7H111 G112 I114 G115 A138H111-S122 CarbonylContact C-O 3.52Å; H111-S122 WeakPolarHBondContact CA-O 3.49Å; G112-S122 VanDerWaalsContact C-OG 3.26Å; G112-S122 VanDerWaalsContact CA-OG 3.26Å; G112-S122 WeakPolarHBondContact CA-OG 3.48Å; G112-S122 VanDerWaalsContact N-C 3.31Å; G112-S122 PolarHBondContact N-O 2.73Å; G112-S122 PolarHBondContact O-OG 2.78Å; I114-S122 WeakPolarHBondContact O-CB 3.32Å; I114-S122 PolarHBondContact O-OG 2.95Å; G115-S122 WeakPolarHBondContact O-CB 3.2Å; G115-S122 PolarHBondContact O-N 2.83Å; G115-S122 PolarHBondContact O-OG 2.81Å; S122-A138 CarbonylContact C-O 3.52Å; S122-A138 VanDerWaalsContact CA-O 3.31Å; S122-A138 WeakPolarHBondContact CA-O 3.21Å; S122-A138 WeakPolarHBondContact CB-O 3.06Å
123L90.1Very high86.9Confident0 Ų035.9 Ų35.90%022%0.221CC..EExtended strand (participates in β ladder)trans-127.1145.9-175-62.2174.4000112I27 L43 T110 L117 I125 S137 A138I27-L123 HydrophobicContact CD1-CD1 4.34Å; L43-L123 HydrophobicContact CD1-CD1 3.6Å; T110-L123 WeakPolarHBondContact O-CA 3.5Å; L117-L123 HydrophobicContact CD2-CB 4.4Å; L117-L123 HydrophobicContact CD2-CD1 3.38Å; L117-L123 HydrophobicContact CD2-CG 3.71Å; L123-I125 HydrophobicContact CB-CG1 4.39Å; L123-S137 CarbonylContact O-C 3.43Å; L123-S137 WeakPolarHBondContact O-CA 3.31Å; L123-A138 HydrophobicContact CB-CB 4.31Å; L123-A138 PolarHBondContact N-O 3.11Å; L123-A138 PolarHBondContact O-N 3.37Å
124C91.3Very high87.7Confident10 Ų1032 Ų327%0.06819%0.194CC..EExtended strand (participates in β ladder)trans-113.6129.4159.9-171.50000108.3T109 T110 F126 S136T109-C124 CarbonylContact C-O 3.54Å; T109-C124 VanDerWaalsContact CA-O 3.24Å; T109-C124 WeakPolarHBondContact CA-O 3.26Å; T110-C124 HydrophobicContact CG2-CB 3.85Å; T110-C124 PolarHBondContact N-O 3.33Å; T110-C124 PolarHBondContact O-N 2.86Å; C124-F126 HydrophobicContact CB-CZ 4.37Å; C124-F126 VanDerWaalsContact SG-CE1 3.51Å; C124-F126 VanDerWaalsContact SG-CZ 3.59Å; C124-S136 CarbonylContact C-O 3.5Å; C124-S136 WeakPolarHBondContact CA-O 3.41Å
125I93.6Very high88.5Confident0 Ų026.9 Ų26.90%017%0.168CC..EExtended strand (participates in β ladder)trans-120.7127.3-172.6-54.6167.5000108.3I27 L41 F65 L107 T109 L123 V127 I135 S136I27-I125 HydrophobicContact CG1-CD1 4Å; I27-I125 HydrophobicContact CG1-CG1 4.39Å; I27-I125 HydrophobicContact CG2-CD1 4.22Å; I27-I125 HydrophobicContact CG2-CG2 3.97Å; L41-I125 HydrophobicContact CD1-CG2 4.22Å; L41-I125 HydrophobicContact CD2-CB 4.39Å; L41-I125 HydrophobicContact CD2-CD1 4.01Å; L41-I125 HydrophobicContact CD2-CG2 4.1Å; F65-I125 HydrophobicContact CE2-CD1 4.41Å; F65-I125 HydrophobicContact CZ-CD1 4.17Å; L107-I125 HydrophobicContact CD1-CG2 4.42Å; T109-I125 HydrophobicContact CG2-CB 4.39Å; T109-I125 HydrophobicContact CG2-CG1 4.09Å; T109-I125 HydrophobicContact CG2-CG2 4.18Å; L123-I125 HydrophobicContact CB-CG1 4.39Å; I125-V127 HydrophobicContact CG2-CG2 3.76Å; I125-I135 CarbonylContact O-C 3.46Å; I125-I135 WeakPolarHBondContact O-CA 3.42Å; I125-S136 PolarHBondContact N-O 2.74Å; I125-S136 PolarHBondContact O-N 3.13Å
126F95Very high89Confident1 Ų124.4 Ų24.40%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-110.2117.5179.2-50.6-67.2000109.7L107 D108 T110 C124 L133 L134 I135 C158 W160 L167 I181L107-F126 WeakPolarHBondContact CA-O 3.44Å; L107-F126 VanDerWaalsContact CB-O 3.26Å; L107-F126 WeakPolarHBondContact CB-O 3.39Å; D108-F126 PolarHBondContact N-O 3.13Å; D108-F126 VanDerWaalsContact N-O 3.13Å; D108-F126 PolarHBondContact O-N 3.31Å; T110-F126 HydrophobicContact CG2-CE2 3.84Å; T110-F126 HydrophobicContact CG2-CZ 4Å; C124-F126 HydrophobicContact CB-CZ 4.37Å; C124-F126 VanDerWaalsContact SG-CE1 3.51Å; C124-F126 VanDerWaalsContact SG-CZ 3.59Å; F126-L133 HydrophobicContact CB-CD1 4.33Å; F126-L134 WeakPolarHBondContact CA-O 3.38Å; F126-I135 HydrophobicContact CD1-CD1 4.5Å; F126-I135 HydrophobicContact CD1-CG1 4.13Å; F126-I135 HydrophobicContact CD1-CG2 4.13Å; F126-I135 HydrophobicContact CE1-CG2 3.97Å; F126-C158 PolarHBondContact O-SG 2.83Å; F126-W160 HydrophobicContact CD2-CB 4.41Å; F126-W160 HydrophobicContact CE2-CB 4.16Å; F126-W160 AromaticContact CE2-CD2 3.94Å; F126-W160 HydrophobicContact CE2-CD2 3.94Å; F126-W160 AromaticContact CE2-CE3 3.7Å; F126-W160 HydrophobicContact CE2-CE3 3.7Å; F126-W160 HydrophobicContact CE2-CG 4.16Å; F126-W160 HydrophobicContact CE2-CZ3 4.42Å; F126-W160 HydrophobicContact CZ-CD2 4.41Å; F126-W160 AromaticContact CZ-CE3 3.88Å; F126-W160 HydrophobicContact CZ-CE3 3.88Å; F126-W160 HydrophobicContact CZ-CZ3 4.15Å; F126-L167 HydrophobicContact CB-CD1 4.1Å; F126-L167 HydrophobicContact CB-CD2 4.27Å; F126-L167 HydrophobicContact CD1-CD1 4.37Å; F126-L167 HydrophobicContact CD1-CD2 4.06Å; F126-L167 HydrophobicContact CD2-CD1 3.62Å; F126-L167 HydrophobicContact CE2-CD1 4.08Å; F126-L167 HydrophobicContact CG-CD1 3.76Å; F126-L167 HydrophobicContact CG-CD2 4.1Å; F126-I181 HydrophobicContact CD1-CD1 3.94Å; F126-I181 HydrophobicContact CE1-CD1 3.23Å; F126-I181 HydrophobicContact CZ-CD1 3.6Å
127V95.5Very high89.2Confident0 Ų022.3 Ų22.30%013%0.133CC..EExtended strand (participates in β ladder)trans-123.7117-176.1-170.50000110.1W29 L41 I105 L107 I125 V129 L134W29-V127 HydrophobicContact CB-CG1 4.14Å; W29-V127 HydrophobicContact CD2-CG1 3.62Å; W29-V127 HydrophobicContact CE3-CG1 4.17Å; W29-V127 HydrophobicContact CG-CG1 3.58Å; W29-V127 HydrophobicContact CZ2-CG1 4.45Å; L41-V127 HydrophobicContact CD1-CG2 4.06Å; L41-V127 HydrophobicContact CD2-CG2 4.46Å; I105-V127 HydrophobicContact CD1-CG1 3.95Å; L107-V127 HydrophobicContact CB-CG2 4.47Å; I125-V127 HydrophobicContact CG2-CG2 3.76Å; V127-V129 HydrophobicContact CB-CG2 4.37Å; V127-V129 HydrophobicContact CG1-CG2 4.03Å; V127-V129 WeakPolarHBondContact O-CG2 3.47Å; V127-V129 PolarHBondContact O-N 2.69Å; V127-L134 HydrophobicContact CB-CB 4.16Å; V127-L134 HydrophobicContact CB-CD2 4.16Å; V127-L134 HydrophobicContact CG2-CD2 4.25Å; V127-L134 PolarHBondContact N-O 3.34Å; V127-L134 PolarHBondContact O-N 3.08Å
128P95.2Very high89.3Confident3 Ų322.3 Ų22.32%0.01913%0.134CC..EExtended strand (participates in β ladder)trans-57.7121.9165.6-32.137.7000112.6I105 R106 I155 C158I105-P128 HydrophobicContact CB-CB 4.12Å; I105-P128 HydrophobicContact CD1-CB 4.24Å; I105-P128 HydrophobicContact CD1-CG 4.28Å; I105-P128 HydrophobicContact CG2-CB 4.27Å; R106-P128 WeakPolarHBondContact O-CG 3.47Å; P128-I155 HydrophobicContact CB-CB 3.87Å; P128-I155 HydrophobicContact CB-CG2 3.74Å; P128-I155 HydrophobicContact CG-CG2 3.89Å; P128-C158 HydrophobicContact CG-CB 4.28Å
129V91.8Very high89.5Confident3 Ų318 Ų182%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-136.799-176.8179.20000110.3W29 L70 V127 N131 R132 L134 I147W29-V129 HydrophobicContact CH2-CG2 4.12Å; W29-V129 HydrophobicContact CZ2-CG1 4.47Å; W29-V129 HydrophobicContact CZ2-CG2 3.59Å; L70-V129 HydrophobicContact CD1-CG1 4.26Å; L70-V129 HydrophobicContact CD2-CG1 3.11Å; L70-V129 HydrophobicContact CG-CG1 4.27Å; V127-V129 HydrophobicContact CB-CG2 4.37Å; V127-V129 HydrophobicContact CG1-CG2 4.03Å; V127-V129 WeakPolarHBondContact O-CG2 3.47Å; V127-V129 PolarHBondContact O-N 2.69Å; V129-N131 PolarHBondContact O-N 3.02Å; V129-R132 CarbonylContact C-O 3.54Å; V129-R132 WeakPolarHBondContact CA-O 3.31Å; V129-R132 PolarHBondContact N-O 3.28Å; V129-R132 CarbonylContact O-C 3.58Å; V129-R132 WeakPolarHBondContact O-CA 3.41Å; V129-R132 WeakPolarHBondContact O-CB 3.5Å; V129-R132 PolarHBondContact O-N 2.67Å; V129-L134 HydrophobicContact CG2-CB 3.81Å; V129-I147 HydrophobicContact CG1-CD1 4.39Å
130K90.6Very high89.9Confident70 Ų7018.4 Ų18.430%0.30410%0.101SC..THydrogen-bonded Turntrans52.1-127.8-168.1-61.4-176.8175.41790109.2L70 R132 K154 I155L70-K130 VanDerWaalsContact O-CE 3.31Å; L70-K130 WeakPolarHBondContact O-CE 3.46Å; L70-K130 PolarHBondContact O-NZ 3.17Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-K154 CarbonylContact O-C 3.53Å; K130-K154 VanDerWaalsContact O-CA 3.3Å; K130-K154 WeakPolarHBondContact O-CA 3.48Å; K130-I155 PolarHBondContact O-N 2.78Å
131N92.2Very high89.8Confident55 Ų5526.9 Ų26.929%0.29413%0.132SC..THydrogen-bonded Turntrans-89.66.8176.671.1-42.1000113.6V129 R150 H151 S153V129-N131 PolarHBondContact O-N 3.02Å; N131-R150 PolarHBondContact O-N 2.85Å; N131-H151 WeakPolarHBondContact CB-O 3.37Å; N131-H151 PolarHBondContact ND2-O 2.84Å; N131-H151 PolarHBondContact O-N 2.86Å; N131-H151 VanDerWaalsContact O-N 3.12Å; N131-S153 VanDerWaalsContact CA-O 3.25Å; N131-S153 WeakPolarHBondContact CA-O 3.36Å; N131-S153 WeakPolarHBondContact CB-O 2.82Å
132R92.2Very high89.7Confident19 Ų1928.9 Ų28.97%0.07214%0.138CC..EExtended strand (participates in β ladder)trans-112.1160.7-179.3-56.3-169.6-70.8-170.2-5110.7S74 D75 V129 K130 I147 I148 I155S74-R132 PolarHBondContact O-NH1 3.24Å; S74-R132 VanDerWaalsContact O-NH1 3.17Å; D75-R132 IonicContact OD1-CZ 3.92Å; D75-R132 IonicContact OD1-NH1 2.75Å; D75-R132 PolarHBondContact OD1-NH1 2.9Å; V129-R132 CarbonylContact C-O 3.54Å; V129-R132 WeakPolarHBondContact CA-O 3.31Å; V129-R132 PolarHBondContact N-O 3.28Å; V129-R132 CarbonylContact O-C 3.58Å; V129-R132 WeakPolarHBondContact O-CA 3.41Å; V129-R132 WeakPolarHBondContact O-CB 3.5Å; V129-R132 PolarHBondContact O-N 2.67Å; K130-R132 VanDerWaalsContact C-N 3.3Å; R132-I147 HydrophobicContact CB-CD1 4Å; R132-I147 HydrophobicContact CB-CG1 3.72Å; R132-I147 HydrophobicContact CG-CG1 4.45Å; R132-I147 VanDerWaalsContact NE-CD1 3.35Å; R132-I148 CarbonylContact C-O 3.49Å; R132-I148 WeakPolarHBondContact CA-O 3.25Å; R132-I148 WeakPolarHBondContact CB-O 3.3Å; R132-I155 VanDerWaalsContact C-CD1 3.49Å; R132-I155 VanDerWaalsContact O-CD1 3.31Å; R132-I155 WeakPolarHBondContact O-CD1 3.11Å
133L92.5Very high89.6Confident2 Ų231.9 Ų31.91%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-111.2123.1172.7-174.176.8000108.6F126 I135 I147 I148 R150 I155 C158 L167 T169F126-L133 HydrophobicContact CB-CD1 4.33Å; L133-I135 HydrophobicContact CD2-CD1 4.17Å; L133-I135 HydrophobicContact CD2-CG1 3.99Å; L133-I135 HydrophobicContact CG-CG1 4.28Å; L133-I147 WeakPolarHBondContact O-CA 3.38Å; L133-I148 HydrophobicContact CB-CG1 4Å; L133-I148 HydrophobicContact CD2-CD1 4.36Å; L133-I148 PolarHBondContact N-O 3.42Å; L133-I148 WeakPolarHBondContact O-CG1 3.41Å; L133-I148 PolarHBondContact O-N 2.78Å; L133-R150 HydrophobicContact CB-CG 4.05Å; L133-I155 HydrophobicContact CB-CD1 4.27Å; L133-C158 HydrophobicContact CD1-CB 4.35Å; L133-L167 HydrophobicContact CD1-CD2 4.3Å; L133-L167 HydrophobicContact CD2-CD2 3.25Å; L133-L167 HydrophobicContact CG-CD2 4.4Å; L133-T169 HydrophobicContact CD1-CG2 4.4Å
134L92.2Very high89.3Confident0 Ų034.6 Ų34.60%018%0.176CC..EExtended strand (participates in β ladder)trans-85.3127.8166.6170.674.1000108.5W29 I68 F126 V127 V129 T145W29-L134 HydrophobicContact CH2-CD2 4.19Å; W29-L134 HydrophobicContact CZ3-CD2 3.98Å; I68-L134 HydrophobicContact CD1-CD1 3.71Å; I68-L134 HydrophobicContact CD1-CD2 3.26Å; I68-L134 HydrophobicContact CD1-CG 4.11Å; F126-L134 WeakPolarHBondContact CA-O 3.38Å; V127-L134 HydrophobicContact CB-CB 4.16Å; V127-L134 HydrophobicContact CB-CD2 4.16Å; V127-L134 HydrophobicContact CG2-CD2 4.25Å; V127-L134 PolarHBondContact N-O 3.34Å; V127-L134 PolarHBondContact O-N 3.08Å; V129-L134 HydrophobicContact CG2-CB 3.81Å; L134-T145 HydrophobicContact CD1-CG2 4.41Å
135I91.9Very high89Confident15 Ų1536.8 Ų36.88%0.07719%0.189CC..EExtended strand (participates in β ladder)trans-113119.5172.9-52.6-174.5000106.8I125 F126 L133 T145 K146 I148 L184I125-I135 CarbonylContact O-C 3.46Å; I125-I135 WeakPolarHBondContact O-CA 3.42Å; F126-I135 HydrophobicContact CD1-CD1 4.5Å; F126-I135 HydrophobicContact CD1-CG1 4.13Å; F126-I135 HydrophobicContact CD1-CG2 4.13Å; F126-I135 HydrophobicContact CE1-CG2 3.97Å; L133-I135 HydrophobicContact CD2-CD1 4.17Å; L133-I135 HydrophobicContact CD2-CG1 3.99Å; L133-I135 HydrophobicContact CG-CG1 4.28Å; I135-T145 CarbonylContact O-C 3.58Å; I135-T145 VanDerWaalsContact O-CA 3.31Å; I135-T145 WeakPolarHBondContact O-CA 3.44Å; I135-K146 PolarHBondContact N-O 2.92Å; I135-K146 PolarHBondContact O-N 3.03Å; I135-I148 HydrophobicContact CD1-CD1 3.59Å; I135-I148 HydrophobicContact CD1-CG1 4.38Å; I135-I148 HydrophobicContact CG1-CD1 4.35Å; I135-L184 HydrophobicContact CG2-CD1 4.16Å
136S89.7Confident88.7Confident0 Ų041.2 Ų41.20%021%0.208CC..EExtended strand (participates in β ladder)trans-119.8130.5179.2-51.90000110.2L41 C124 I125 S144 T145L41-S136 WeakPolarHBondContact CD2-OG 3.17Å; C124-S136 CarbonylContact C-O 3.5Å; C124-S136 WeakPolarHBondContact CA-O 3.41Å; I125-S136 PolarHBondContact N-O 2.74Å; I125-S136 PolarHBondContact O-N 3.13Å; S136-S144 CarbonylContact C-O 3.52Å; S136-S144 VanDerWaalsContact CA-O 3.29Å; S136-S144 WeakPolarHBondContact CA-O 3.48Å; S136-T145 WeakPolarHBondContact OG-CG2 3.2Å
137S87.6Confident88.3Confident29 Ų2942 Ų4220%0.20321%0.212CC..EExtended strand (participates in β ladder)trans-98.7143.516979.20000110.1L123 T143 S144L123-S137 CarbonylContact O-C 3.43Å; L123-S137 WeakPolarHBondContact O-CA 3.31Å; S137-T143 VanDerWaalsContact O-CA 3.3Å; S137-T143 WeakPolarHBondContact O-CA 3.48Å; S137-S144 PolarHBondContact N-O 2.95Å; S137-S144 PolarHBondContact O-N 2.7Å; S137-S144 PolarHBondContact OG-N 2.71Å; S137-S144 PolarHBondContact OG-OG 3.46Å
138A86.5Confident88Confident2 Ų242.4 Ų42.42%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-134.9120.1179.300000110.5F65 L117 S122 L123F65-A138 HydrophobicContact CE1-CB 3.49Å; F65-A138 VanDerWaalsContact CE1-CB 3.49Å; F65-A138 HydrophobicContact CZ-CB 3.43Å; F65-A138 VanDerWaalsContact CZ-CB 3.43Å; L117-A138 HydrophobicContact CD1-CB 4.12Å; L117-A138 HydrophobicContact CD2-CB 4.31Å; S122-A138 CarbonylContact C-O 3.52Å; S122-A138 VanDerWaalsContact CA-O 3.31Å; S122-A138 WeakPolarHBondContact CA-O 3.21Å; S122-A138 WeakPolarHBondContact CB-O 3.06Å; L123-A138 HydrophobicContact CB-CB 4.31Å; L123-A138 PolarHBondContact N-O 3.11Å; L123-A138 PolarHBondContact O-N 3.37Å
139S85.5Confident87.8Confident22 Ų2246.2 Ų46.215%0.15424%0.238CC..  trans-128.9169.6164.573.70000108.9D116 Y141 D142D116-S139 CarbonylContact O-C 3.47Å; D116-S139 WeakPolarHBondContact O-CA 3.32Å; S139-Y141 PolarHBondContact O-N 3.27Å; S139-D142 WeakPolarHBondContact CA-O 3.47Å; S139-D142 PolarHBondContact N-O 3.3Å; S139-D142 VanDerWaalsContact O-O 3.14Å; S139-D142 PolarHBondContact OG-N 2.99Å; S139-D142 PolarHBondContact OG-O 3.09Å
140K81.2Confident87.5Confident83 Ų8349.1 Ų49.136%0.36125%0.248SC..SBendtrans-56.8-31.4179.5180-180177.5-167.80113.3D116D116-K140 WeakPolarHBondContact O-CB 3.16Å; D116-K140 PolarHBondContact O-N 3.29Å; D116-K140 WeakPolarHBondContact OD1-CB 3.5Å; D116-K140 VanDerWaalsContact OD1-CD 3.26Å; D116-K140 WeakPolarHBondContact OD1-CD 3.38Å
141Y82.1Confident87.6Confident189 Ų18946 Ų4674%0.74124%0.235SC*.SBendtrans-114.4-17.2-173.7-54.6-61.7000114S139S139-Y141 PolarHBondContact O-N 3.27Å
142D81.8Confident87.6Confident99 Ų9951.9 Ų51.953%0.52926%0.258SS..  trans-141.3140.4-175.9-172.628.8000111.2S139S139-D142 WeakPolarHBondContact CA-O 3.47Å; S139-D142 PolarHBondContact N-O 3.3Å; S139-D142 VanDerWaalsContact O-O 3.14Å; S139-D142 PolarHBondContact OG-N 2.99Å; S139-D142 PolarHBondContact OG-O 3.09Å
143T83.2Confident87.6Confident67 Ų6753.2 Ų53.241%0.41127%0.27SS..EExtended strand (participates in β ladder)trans-134.9126.9173.3580000107.7F65 S137F65-T143 HydrophobicContact CD1-CG2 3.88Å; F65-T143 HydrophobicContact CE1-CG2 3.57Å; F65-T143 HydrophobicContact CZ-CG2 4.46Å; S137-T143 VanDerWaalsContact O-CA 3.3Å; S137-T143 WeakPolarHBondContact O-CA 3.48Å
144S84.1Confident87.7Confident58 Ų5856.5 Ų56.541%0.40628%0.284SS..EExtended strand (participates in β ladder)trans-127.6154.2176.872.90000110.9S136 S137S136-S144 CarbonylContact C-O 3.52Å; S136-S144 VanDerWaalsContact CA-O 3.29Å; S136-S144 WeakPolarHBondContact CA-O 3.48Å; S137-S144 PolarHBondContact N-O 2.95Å; S137-S144 PolarHBondContact O-N 2.7Å; S137-S144 PolarHBondContact OG-N 2.71Å; S137-S144 PolarHBondContact OG-OG 3.46Å
145T85.3Confident87.8Confident56 Ų5656.5 Ų56.534%0.34428%0.284SS..EExtended strand (participates in β ladder)trans-135.9139.4178.859.40000110.6L77 L134 I135 S136L77-T145 WeakPolarHBondContact CD1-OG1 3.34Å; L134-T145 HydrophobicContact CD1-CG2 4.41Å; I135-T145 CarbonylContact O-C 3.58Å; I135-T145 VanDerWaalsContact O-CA 3.31Å; I135-T145 WeakPolarHBondContact O-CA 3.44Å; S136-T145 WeakPolarHBondContact OG-CG2 3.2Å
146K86Confident88Confident92 Ų9260.6 Ų60.640%0.430%0.299SS..EExtended strand (participates in β ladder)trans-128139.7170.8-170.8-175.5-177.9-168.60108I135 I148 D192I135-K146 PolarHBondContact N-O 2.92Å; I135-K146 PolarHBondContact O-N 3.03Å; K146-I148 HydrophobicContact CD-CG2 3.8Å; K146-I148 VanDerWaalsContact CE-CG2 3.41Å; K146-I148 HydrophobicContact CG-CG2 4.06Å; K146-D192 IonicContact NZ-OD1 3.75Å; K146-D192 IonicContact NZ-OD2 2.95Å; K146-D192 PolarHBondContact NZ-OD2 3.43Å
147I87.6Confident88.3Confident17 Ų1761.5 Ų61.59%0.08731%0.306CS..EExtended strand (participates in β ladder)trans-112.8137.2169.3-164.6160.7000109V129 R132 L133V129-I147 HydrophobicContact CG1-CD1 4.39Å; R132-I147 HydrophobicContact CB-CD1 4Å; R132-I147 HydrophobicContact CB-CG1 3.72Å; R132-I147 HydrophobicContact CG-CG1 4.45Å; R132-I147 VanDerWaalsContact NE-CD1 3.35Å; L133-I147 WeakPolarHBondContact O-CA 3.38Å
148I89.1Confident88.8Confident10 Ų1060.2 Ų60.25%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-136.4137.2-178.855.3-178.4000110.2R132 L133 I135 K146 R150R132-I148 CarbonylContact C-O 3.49Å; R132-I148 WeakPolarHBondContact CA-O 3.25Å; R132-I148 WeakPolarHBondContact CB-O 3.3Å; L133-I148 HydrophobicContact CB-CG1 4Å; L133-I148 HydrophobicContact CD2-CD1 4.36Å; L133-I148 PolarHBondContact N-O 3.42Å; L133-I148 WeakPolarHBondContact O-CG1 3.41Å; L133-I148 PolarHBondContact O-N 2.78Å; I135-I148 HydrophobicContact CD1-CD1 3.59Å; I135-I148 HydrophobicContact CD1-CG1 4.38Å; I135-I148 HydrophobicContact CG1-CD1 4.35Å; K146-I148 HydrophobicContact CD-CG2 3.8Å; K146-I148 VanDerWaalsContact CE-CG2 3.41Å; K146-I148 HydrophobicContact CG-CG2 4.06Å; I148-R150 HydrophobicContact CD1-CG 4.15Å; I148-R150 HydrophobicContact CG1-CG 3.93Å
149T89.7Confident89.3Confident83 Ų8362.6 Ų62.651%0.50931%0.312SS..EExtended strand (participates in β ladder)trans-75.2128.4173.9-59.30000109.4
150R85.9Confident89.7Confident64 Ų6462.8 Ų62.824%0.24231%0.309CS..  trans-133.1-17.8-174.9-68.6-59.8-164.2-163.3-1.3114.6N131 L133 I148 I155 F177 W179N131-R150 PolarHBondContact O-N 2.85Å; L133-R150 HydrophobicContact CB-CG 4.05Å; I148-R150 HydrophobicContact CD1-CG 4.15Å; I148-R150 HydrophobicContact CG1-CG 3.93Å; R150-I155 HydrophobicContact CB-CD1 4.04Å; R150-F177 WeakPolarHBondContact O-CD2 3.31Å; R150-F177 VanDerWaalsContact O-CE2 3.22Å; R150-F177 WeakPolarHBondContact O-CE2 3.48Å; R150-W179 HydrophobicContact CB-CZ2 4.09Å; R150-W179 HydrophobicContact CG-CZ2 4.34Å
151H93.4Very high90.3Very high5 Ų560.9 Ų60.92%0.02330%0.303CS..  trans-134.7158.5179.9-79.6-102.1000110.6N131 S153 I155 T169 G171 D173 N175 F177N131-H151 WeakPolarHBondContact CB-O 3.37Å; N131-H151 PolarHBondContact ND2-O 2.84Å; N131-H151 PolarHBondContact O-N 2.86Å; N131-H151 VanDerWaalsContact O-N 3.12Å; H151-S153 VanDerWaalsContact C-N 3.28Å; H151-S153 WeakPolarHBondContact CB-O 3.35Å; H151-I155 HydrophobicContact CB-CD1 4.48Å; H151-I155 HydrophobicContact CB-CG1 3.88Å; H151-I155 VanDerWaalsContact CD2-CG1 3.46Å; H151-I155 WeakPolarHBondContact CD2-CG1 3.28Å; H151-T169 VanDerWaalsContact NE2-CB 3.28Å; H151-T169 WeakPolarHBondContact NE2-CB 3.22Å; H151-T169 PolarHBondContact NE2-O 2.75Å; H151-T169 PolarHBondContact NE2-OG1 3.05Å; H151-G171 PolarHBondContact CE1-N 2.66Å; H151-D173 WeakPolarHBondContact CB-OD2 3.21Å; H151-D173 IonicContact CE1-OD1 3.78Å; H151-D173 IonicContact CG-OD1 3.9Å; H151-D173 IonicContact CG-OD2 3.53Å; H151-D173 VanDerWaalsContact ND1-CG 3.35Å; H151-D173 IonicContact ND1-OD1 3.04Å; H151-D173 PolarHBondContact ND1-OD1 2.79Å; H151-D173 IonicContact ND1-OD2 2.9Å; H151-D173 PolarHBondContact ND1-OD2 3.05Å; H151-N175 PolarHBondContact CE1-O 2.69Å; H151-F177 AromaticContact CD2-CD2 3.8Å; H151-F177 AromaticContact CE1-CD2 3.36Å; H151-F177 WeakPolarHBondContact CE1-CD2 3.33Å; H151-F177 AromaticContact CE1-CE2 3.74Å; H151-F177 AromaticContact CG-CD2 3.96Å; H151-F177 AromaticContact CG-CE2 3.91Å; H151-F177 AromaticContact ND1-CD2 3.69Å; H151-F177 AromaticContact ND1-CE2 3.6Å; H151-F177 AromaticContact NE2-CD2 3.48Å; H151-F177 WeakPolarHBondContact NE2-CD2 3.22Å
152F92.3Very high90.6Very high177 Ų17756.1 Ų56.178%0.77629%0.29SS*.SBendtrans-81.5-11.8174.4-62.2-75.3000112.5D173F152-D173 HydrophobicContact CB-CB 4.17Å; F152-D173 PolarHBondContact N-OD2 2.92Å
153S93Very high91Very high47 Ų4761.7 Ų61.733%0.32930%0.304SS..SBendtrans-145.2-176.5176.5-172.20000110.2N131 H151 I155N131-S153 VanDerWaalsContact CA-O 3.25Å; N131-S153 WeakPolarHBondContact CA-O 3.36Å; N131-S153 WeakPolarHBondContact CB-O 2.82Å; H151-S153 VanDerWaalsContact C-N 3.28Å; H151-S153 WeakPolarHBondContact CB-O 3.35Å; S153-I155 PolarHBondContact O-N 2.93Å
154K93.1Very high91.3Very high72 Ų7263.8 Ų63.831%0.31331%0.309SS..  trans-58.2121.2-172.1-178.3175.6177.4-178.20112.4K130 G171 A172K130-K154 CarbonylContact O-C 3.53Å; K130-K154 VanDerWaalsContact O-CA 3.3Å; K130-K154 WeakPolarHBondContact O-CA 3.48Å; K154-G171 CarbonylContact O-C 3.56Å; K154-G171 WeakPolarHBondContact O-CA 3.2Å; K154-A172 HydrophobicContact CB-CB 4.42Å; K154-A172 PolarHBondContact O-N 3.36Å
155I95.1Very high91.6Very high0 Ų065.9 Ų65.90%032%0.315CS..EExtended strand (participates in β ladder)trans-65.3133.2168-46.5-172000108.9P128 K130 R132 L133 R150 H151 S153 C170P128-I155 HydrophobicContact CB-CB 3.87Å; P128-I155 HydrophobicContact CB-CG2 3.74Å; P128-I155 HydrophobicContact CG-CG2 3.89Å; K130-I155 PolarHBondContact O-N 2.78Å; R132-I155 VanDerWaalsContact C-CD1 3.49Å; R132-I155 VanDerWaalsContact O-CD1 3.31Å; R132-I155 WeakPolarHBondContact O-CD1 3.11Å; L133-I155 HydrophobicContact CB-CD1 4.27Å; R150-I155 HydrophobicContact CB-CD1 4.04Å; H151-I155 HydrophobicContact CB-CD1 4.48Å; H151-I155 HydrophobicContact CB-CG1 3.88Å; H151-I155 VanDerWaalsContact CD2-CG1 3.46Å; H151-I155 WeakPolarHBondContact CD2-CG1 3.28Å; S153-I155 PolarHBondContact O-N 2.93Å; I155-C170 WeakPolarHBondContact CG2-O 3.46Å
156R95.4Very high91.9Very high101 Ų10165.8 Ų65.838%0.38131%0.31SS..EExtended strand (participates in β ladder)trans-107.4-34-177.3-63-57.6-59.2-82.7-4.3112.7I105 R106 C170I105-R156 WeakPolarHBondContact CA-O 3.46Å; R106-R156 PolarHBondContact N-O 3.26Å; R106-R156 VanDerWaalsContact N-O 3.11Å; R156-C170 PolarHBondContact N-O 3.12Å
157A97.1Very high92.4Very high19 Ų1961.4 Ų61.416%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-149.3151.6179.100000110.8R106 T169 C170R106-A157 HydrophobicContact CB-CB 3.74Å; R106-A157 HydrophobicContact CG-CB 4.5Å; R106-A157 CarbonylContact O-C 3.57Å; R106-A157 WeakPolarHBondContact O-CA 3.37Å; A157-T169 WeakPolarHBondContact O-CA 3.39Å; A157-C170 PolarHBondContact N-O 3.47Å; A157-C170 PolarHBondContact O-N 3.43Å
158C96.7Very high92.8Very high2 Ų264 Ų641%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-126.5157.3157.865.90000110.2R106 F126 P128 L133 L167 Y168 T169R106-C158 PolarHBondContact O-N 3.24Å; F126-C158 PolarHBondContact O-SG 2.83Å; P128-C158 HydrophobicContact CG-CB 4.28Å; L133-C158 HydrophobicContact CD1-CB 4.35Å; C158-L167 HydrophobicContact CB-CD1 4.11Å; C158-L167 HydrophobicContact CB-CD2 4.44Å; C158-L167 HydrophobicContact CB-CG 4.41Å; C158-Y168 CarbonylContact C-O 3.54Å; C158-Y168 WeakPolarHBondContact CA-O 3.25Å; C158-T169 HydrophobicContact CB-CG2 3.92Å
159V96.8Very high93.2Very high52 Ų5263.6 Ų63.632%0.31530%0.298SS..EExtended strand (participates in β ladder)trans-145.1132.7171.763.50000109.9D108 Y168D108-V159 VanDerWaalsContact OD2-CA 3.31Å; D108-V159 WeakPolarHBondContact OD2-CA 3.44Å; D108-V159 WeakPolarHBondContact OD2-CG2 3.32Å; V159-Y168 HydrophobicContact CG1-CD2 4.49Å; V159-Y168 HydrophobicContact CG1-CG 4.45Å; V159-Y168 PolarHBondContact N-O 3.27Å; V159-Y168 PolarHBondContact O-N 2.85Å
160W95.2Very high93.5Very high25 Ų2562 Ų6210%0.09529%0.29CS..EExtended strand (participates in β ladder)trans-90.7140.4177.3178.4-104.7000110.7D108 T110 F126 D162 L165 E166 L167 I181D108-W160 HydrophobicContact CB-CB 4.48Å; D108-W160 PolarHBondContact OD2-N 3.31Å; T110-W160 VanDerWaalsContact CB-CD1 3.42Å; T110-W160 VanDerWaalsContact CB-NE1 3.28Å; T110-W160 HydrophobicContact CG2-CD2 4.14Å; T110-W160 HydrophobicContact CG2-CG 4.4Å; T110-W160 HydrophobicContact CG2-CZ2 4.12Å; T110-W160 PolarHBondContact OG1-NE1 2.73Å; F126-W160 HydrophobicContact CD2-CB 4.41Å; F126-W160 HydrophobicContact CE2-CB 4.16Å; F126-W160 AromaticContact CE2-CD2 3.94Å; F126-W160 HydrophobicContact CE2-CD2 3.94Å; F126-W160 AromaticContact CE2-CE3 3.7Å; F126-W160 HydrophobicContact CE2-CE3 3.7Å; F126-W160 HydrophobicContact CE2-CG 4.16Å; F126-W160 HydrophobicContact CE2-CZ3 4.42Å; F126-W160 HydrophobicContact CZ-CD2 4.41Å; F126-W160 AromaticContact CZ-CE3 3.88Å; F126-W160 HydrophobicContact CZ-CE3 3.88Å; F126-W160 HydrophobicContact CZ-CZ3 4.15Å; W160-D162 VanDerWaalsContact NE1-CG 3.31Å; W160-D162 PolarHBondContact NE1-OD1 2.82Å; W160-L165 HydrophobicContact CH2-CB 4.15Å; W160-L165 WeakPolarHBondContact CH2-O 3.36Å; W160-L165 HydrophobicContact CZ2-CB 4.18Å; W160-L165 HydrophobicContact CZ2-CD2 3.95Å; W160-E166 VanDerWaalsContact CE3-O 3.28Å; W160-L167 HydrophobicContact CB-CD1 4.26Å; W160-L167 HydrophobicContact CE3-CB 3.98Å; W160-L167 HydrophobicContact CE3-CD1 4.17Å; W160-L167 HydrophobicContact CZ3-CB 4.24Å; W160-I181 HydrophobicContact CE3-CD1 4.34Å; W160-I181 HydrophobicContact CH2-CB 3.99Å; W160-I181 HydrophobicContact CZ3-CB 3.71Å; W160-I181 HydrophobicContact CZ3-CD1 3.84Å; W160-I181 HydrophobicContact CZ3-CG1 3.86Å
161N93.2Very high94Very high44 Ų4459.6 Ų59.624%0.23529%0.285CS..EExtended strand (participates in β ladder)trans-113.196.2174.8-176.9-11.5000109.6R163 H164 L165 E166 Y168N161-R163 PolarHBondContact O-N 2.93Å; N161-R163 PolarHBondContact OD1-N 3.43Å; N161-H164 PolarHBondContact ND2-CD2 3.44Å; N161-H164 VanDerWaalsContact ND2-CD2 3.28Å; N161-H164 PolarHBondContact O-N 2.99Å; N161-H164 PolarHBondContact OD1-N 3.39Å; N161-L165 WeakPolarHBondContact O-CA 3.48Å; N161-L165 PolarHBondContact O-N 2.81Å; N161-E166 WeakPolarHBondContact CB-O 3.45Å; N161-E166 PolarHBondContact N-O 2.91Å; N161-E166 PolarHBondContact O-N 2.87Å; N161-Y168 HydrophobicContact CB-CD2 4.38Å; N161-Y168 HydrophobicContact CB-CE2 3.89Å
162D88.8Confident94.1Very high89 Ų8962.3 Ų62.348%0.47631%0.308SS..THydrogen-bonded Turntrans-60.9-27.6-179-70.7-68.6000113.5T110 W160T110-D162 PolarHBondContact OG1-OD1 2.87Å; W160-D162 VanDerWaalsContact NE1-CG 3.31Å; W160-D162 PolarHBondContact NE1-OD1 2.82Å
163R90Very high94.2Very high216 Ų21655.6 Ų55.682%0.81528%0.281SS*.THydrogen-bonded Turntrans-71.1-39.6-179.9177.3179-70.6176.2-1.6112N161N161-R163 PolarHBondContact O-N 2.93Å; N161-R163 PolarHBondContact OD1-N 3.43Å
164H90.2Very high94.4Very high111 Ų11156.8 Ų56.851%0.51430%0.3SS..THydrogen-bonded Turntrans-103.7-7.6-174.3-67.7-85.5000113.2N161 E166N161-H164 PolarHBondContact ND2-CD2 3.44Å; N161-H164 VanDerWaalsContact ND2-CD2 3.28Å; N161-H164 PolarHBondContact O-N 2.99Å; N161-H164 PolarHBondContact OD1-N 3.39Å; H164-E166 VanDerWaalsContact C-N 3.31Å; H164-E166 HydrophobicContact CB-CB 4.46Å; H164-E166 HydrophobicContact CB-CG 4.1Å
165L90Very high94.6Very high102 Ų10256.5 Ų56.553%0.53430%0.302SS..THydrogen-bonded Turntrans58.243.5-175.6-52.6177.3000112.3W160 N161 I181W160-L165 HydrophobicContact CH2-CB 4.15Å; W160-L165 WeakPolarHBondContact CH2-O 3.36Å; W160-L165 HydrophobicContact CZ2-CB 4.18Å; W160-L165 HydrophobicContact CZ2-CD2 3.95Å; N161-L165 WeakPolarHBondContact O-CA 3.48Å; N161-L165 PolarHBondContact O-N 2.81Å; L165-I181 PolarHBondContact O-N 3.45Å
166E92.4Very high94.6Very high53 Ų5362.2 Ų62.225%0.24833%0.332CS..EExtended strand (participates in β ladder)trans-125.6145-175.5-69.1170.8175.400111.1W160 N161 H164 Y168 W179W160-E166 VanDerWaalsContact CE3-O 3.28Å; N161-E166 WeakPolarHBondContact CB-O 3.45Å; N161-E166 PolarHBondContact N-O 2.91Å; N161-E166 PolarHBondContact O-N 2.87Å; H164-E166 VanDerWaalsContact C-N 3.31Å; H164-E166 HydrophobicContact CB-CB 4.46Å; H164-E166 HydrophobicContact CB-CG 4.1Å; E166-Y168 HydrophobicContact CB-CE2 3.98Å; E166-Y168 PolarHBondContact OE2-OH 3.09Å; E166-W179 WeakPolarHBondContact CA-O 3.36Å
167L94.7Very high94.6Very high0 Ų060 Ų600%033%0.325CS..EExtended strand (participates in β ladder)trans-107130.3171.3-172.677.1000110.2F126 L133 C158 W160 T169 T178 W179 I181F126-L167 HydrophobicContact CB-CD1 4.1Å; F126-L167 HydrophobicContact CB-CD2 4.27Å; F126-L167 HydrophobicContact CD1-CD1 4.37Å; F126-L167 HydrophobicContact CD1-CD2 4.06Å; F126-L167 HydrophobicContact CD2-CD1 3.62Å; F126-L167 HydrophobicContact CE2-CD1 4.08Å; F126-L167 HydrophobicContact CG-CD1 3.76Å; F126-L167 HydrophobicContact CG-CD2 4.1Å; L133-L167 HydrophobicContact CD1-CD2 4.3Å; L133-L167 HydrophobicContact CD2-CD2 3.25Å; L133-L167 HydrophobicContact CG-CD2 4.4Å; C158-L167 HydrophobicContact CB-CD1 4.11Å; C158-L167 HydrophobicContact CB-CD2 4.44Å; C158-L167 HydrophobicContact CB-CG 4.41Å; W160-L167 HydrophobicContact CB-CD1 4.26Å; W160-L167 HydrophobicContact CE3-CB 3.98Å; W160-L167 HydrophobicContact CE3-CD1 4.17Å; W160-L167 HydrophobicContact CZ3-CB 4.24Å; L167-T169 HydrophobicContact CD2-CG2 3.88Å; L167-T169 HydrophobicContact CG-CG2 4.21Å; L167-T178 CarbonylContact O-C 3.58Å; L167-T178 WeakPolarHBondContact O-CA 3.15Å; L167-W179 PolarHBondContact N-O 3.04Å; L167-W179 PolarHBondContact O-N 3.32Å; L167-I181 HydrophobicContact CB-CD1 3.53Å; L167-I181 HydrophobicContact CB-CG1 3.98Å; L167-I181 HydrophobicContact CD2-CD1 3.85Å; L167-I181 HydrophobicContact CG-CD1 4.21Å
168Y96.8Very high94.5Very high73 Ų7362.5 Ų62.529%0.28634%0.339SS..EExtended strand (participates in β ladder)trans-102.8133.2171.8-62.4-99.7000109.5C158 V159 N161 E166 F177C158-Y168 CarbonylContact C-O 3.54Å; C158-Y168 WeakPolarHBondContact CA-O 3.25Å; V159-Y168 HydrophobicContact CG1-CD2 4.49Å; V159-Y168 HydrophobicContact CG1-CG 4.45Å; V159-Y168 PolarHBondContact N-O 3.27Å; V159-Y168 PolarHBondContact O-N 2.85Å; N161-Y168 HydrophobicContact CB-CD2 4.38Å; N161-Y168 HydrophobicContact CB-CE2 3.89Å; E166-Y168 HydrophobicContact CB-CE2 3.98Å; E166-Y168 PolarHBondContact OE2-OH 3.09Å; Y168-F177 CarbonylContact C-O 3.56Å; Y168-F177 VanDerWaalsContact CA-O 3.25Å; Y168-F177 WeakPolarHBondContact CA-O 3.47Å
169T97.1Very high93.8Very high1 Ų164.5 Ų64.51%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-126.8140.3177.2600000110.5L133 H151 A157 C158 L167 L176 F177 W179L133-T169 HydrophobicContact CD1-CG2 4.4Å; H151-T169 VanDerWaalsContact NE2-CB 3.28Å; H151-T169 WeakPolarHBondContact NE2-CB 3.22Å; H151-T169 PolarHBondContact NE2-O 2.75Å; H151-T169 PolarHBondContact NE2-OG1 3.05Å; A157-T169 WeakPolarHBondContact O-CA 3.39Å; C158-T169 HydrophobicContact CB-CG2 3.92Å; L167-T169 HydrophobicContact CD2-CG2 3.88Å; L167-T169 HydrophobicContact CG-CG2 4.21Å; T169-L176 CarbonylContact O-C 3.52Å; T169-L176 WeakPolarHBondContact O-CA 3.43Å; T169-F177 PolarHBondContact N-O 3.3Å; T169-F177 PolarHBondContact O-N 3.01Å; T169-W179 PolarHBondContact OG1-NE1 3.33Å
170C97.2Very high92.8Very high48 Ų4866.6 Ų66.632%0.32436%0.361SS..EExtended strand (participates in β ladder)trans-131147.2172.771.20000111.8I155 R156 A157 N175 L176I155-C170 WeakPolarHBondContact CG2-O 3.46Å; R156-C170 PolarHBondContact N-O 3.12Å; A157-C170 PolarHBondContact N-O 3.47Å; A157-C170 PolarHBondContact O-N 3.43Å; C170-N175 WeakPolarHBondContact CA-O 3.22Å; C170-L176 HydrophobicContact CB-CD1 3.94Å
171G95.1Very high91.6Very high14 Ų1466.7 Ų66.714%0.14436%0.363CS..EExtended strand (participates in β ladder)trans-141.1175.2-17000000114.9H151 K154 D173 G174 N175H151-G171 PolarHBondContact CE1-N 2.66Å; K154-G171 CarbonylContact O-C 3.56Å; K154-G171 WeakPolarHBondContact O-CA 3.2Å; G171-D173 WeakPolarHBondContact CA-OD1 3.46Å; G171-D173 PolarHBondContact O-N 3.22Å; G171-G174 PolarHBondContact O-N 2.79Å; G171-N175 PolarHBondContact N-O 2.83Å
172A95.1Very high89.9Confident62 Ų6270.3 Ų70.351%0.51238%0.382SS..THydrogen-bonded Turntrans-74.90.1175.700000113.2K154K154-A172 HydrophobicContact CB-CB 4.42Å; K154-A172 PolarHBondContact O-N 3.36Å
173D95.9Very high88.2Confident37 Ų3770.3 Ų70.320%0.19839%0.386CS..THydrogen-bonded Turntrans-81.4-2.2167.956.5-8.5000112H151 F152 G171 N175H151-D173 WeakPolarHBondContact CB-OD2 3.21Å; H151-D173 IonicContact CE1-OD1 3.78Å; H151-D173 IonicContact CG-OD1 3.9Å; H151-D173 IonicContact CG-OD2 3.53Å; H151-D173 VanDerWaalsContact ND1-CG 3.35Å; H151-D173 IonicContact ND1-OD1 3.04Å; H151-D173 PolarHBondContact ND1-OD1 2.79Å; H151-D173 IonicContact ND1-OD2 2.9Å; H151-D173 PolarHBondContact ND1-OD2 3.05Å; F152-D173 HydrophobicContact CB-CB 4.17Å; F152-D173 PolarHBondContact N-OD2 2.92Å; G171-D173 WeakPolarHBondContact CA-OD1 3.46Å; G171-D173 PolarHBondContact O-N 3.22Å; D173-N175 PolarHBondContact O-N 3.33Å; D173-N175 PolarHBondContact OD1-N 3.11Å; D173-N175 PolarHBondContact OD2-ND2 2.9Å
174G96.2Very high86.4Confident72 Ų7264 Ų6474%0.74237%0.368SS*.SBendtrans80.73.1-18000000113.9G171G171-G174 PolarHBondContact O-N 2.79Å
175N96.8Very high83.9Confident65 Ų6562.2 Ų62.235%0.34837%0.368SS..  trans-96149-176.5-63.7-45.4000112.3H151 C170 G171 D173 F177H151-N175 PolarHBondContact CE1-O 2.69Å; C170-N175 WeakPolarHBondContact CA-O 3.22Å; G171-N175 PolarHBondContact N-O 2.83Å; D173-N175 PolarHBondContact O-N 3.33Å; D173-N175 PolarHBondContact OD1-N 3.11Å; D173-N175 PolarHBondContact OD2-ND2 2.9Å; N175-F177 HydrophobicContact CB-CD2 4.33Å; N175-F177 HydrophobicContact CB-CE1 4.21Å; N175-F177 HydrophobicContact CB-CE2 3.72Å; N175-F177 HydrophobicContact CB-CZ 3.65Å
176L96.8Very high81.1Confident121 Ų12162 Ų6263%0.63438%0.376SS*.EExtended strand (participates in β ladder)trans-113.9121.1162.5178.176.2000107.2T169 C170T169-L176 CarbonylContact O-C 3.52Å; T169-L176 WeakPolarHBondContact O-CA 3.43Å; C170-L176 HydrophobicContact CB-CD1 3.94Å
177F95.2Very high78.2Confident54 Ų5466.6 Ų66.624%0.23740%0.402CS..EExtended strand (participates in β ladder)trans-110.2149175.6-64.1-60.4000110.9R150 H151 Y168 T169 N175 W179R150-F177 WeakPolarHBondContact O-CD2 3.31Å; R150-F177 VanDerWaalsContact O-CE2 3.22Å; R150-F177 WeakPolarHBondContact O-CE2 3.48Å; H151-F177 AromaticContact CD2-CD2 3.8Å; H151-F177 AromaticContact CE1-CD2 3.36Å; H151-F177 WeakPolarHBondContact CE1-CD2 3.33Å; H151-F177 AromaticContact CE1-CE2 3.74Å; H151-F177 AromaticContact CG-CD2 3.96Å; H151-F177 AromaticContact CG-CE2 3.91Å; H151-F177 AromaticContact ND1-CD2 3.69Å; H151-F177 AromaticContact ND1-CE2 3.6Å; H151-F177 AromaticContact NE2-CD2 3.48Å; H151-F177 WeakPolarHBondContact NE2-CD2 3.22Å; Y168-F177 CarbonylContact C-O 3.56Å; Y168-F177 VanDerWaalsContact CA-O 3.25Å; Y168-F177 WeakPolarHBondContact CA-O 3.47Å; T169-F177 PolarHBondContact N-O 3.3Å; T169-F177 PolarHBondContact O-N 3.01Å; N175-F177 HydrophobicContact CB-CD2 4.33Å; N175-F177 HydrophobicContact CB-CE1 4.21Å; N175-F177 HydrophobicContact CB-CE2 3.72Å; N175-F177 HydrophobicContact CB-CZ 3.65Å; F177-W179 VanDerWaalsContact CB-CE2 3.46Å; F177-W179 HydrophobicContact CB-CH2 4.48Å; F177-W179 HydrophobicContact CB-CZ2 3.44Å; F177-W179 VanDerWaalsContact CB-CZ2 3.44Å; F177-W179 VanDerWaalsContact CB-NE1 3.31Å; F177-W179 HydrophobicContact CD1-CZ2 4.26Å; F177-W179 AromaticContact CD2-CZ2 3.86Å; F177-W179 HydrophobicContact CD2-CZ2 3.86Å; F177-W179 HydrophobicContact CG-CH2 4.44Å; F177-W179 AromaticContact CG-CZ2 3.61Å; F177-W179 HydrophobicContact CG-CZ2 3.61Å
178T93.6Very high75.3Confident72 Ų7272.9 Ų72.944%0.44244%0.435SS..EExtended strand (participates in β ladder)trans-115.4140167.9-175.90000108.7L167L167-T178 CarbonylContact O-C 3.58Å; L167-T178 WeakPolarHBondContact O-CA 3.15Å
179W82.3Confident72.3Confident44 Ų4476 Ų7617%0.16746%0.462CS..EExtended strand (participates in β ladder)trans-133.9121.1-176.8-51.597.9000109.1R150 E166 L167 T169 F177 I181R150-W179 HydrophobicContact CB-CZ2 4.09Å; R150-W179 HydrophobicContact CG-CZ2 4.34Å; E166-W179 WeakPolarHBondContact CA-O 3.36Å; L167-W179 PolarHBondContact N-O 3.04Å; L167-W179 PolarHBondContact O-N 3.32Å; T169-W179 PolarHBondContact OG1-NE1 3.33Å; F177-W179 VanDerWaalsContact CB-CE2 3.46Å; F177-W179 HydrophobicContact CB-CH2 4.48Å; F177-W179 HydrophobicContact CB-CZ2 3.44Å; F177-W179 VanDerWaalsContact CB-CZ2 3.44Å; F177-W179 VanDerWaalsContact CB-NE1 3.31Å; F177-W179 HydrophobicContact CD1-CZ2 4.26Å; F177-W179 AromaticContact CD2-CZ2 3.86Å; F177-W179 HydrophobicContact CD2-CZ2 3.86Å; F177-W179 HydrophobicContact CG-CH2 4.44Å; F177-W179 AromaticContact CG-CZ2 3.61Å; F177-W179 HydrophobicContact CG-CZ2 3.61Å; W179-I181 PolarHBondContact O-N 3.18Å; W179-I181 VanDerWaalsContact O-N 3.17Å
180P77.2Confident69.7Low95 Ų9581 Ų8162%0.61749%0.488SS*.EExtended strand (participates in β ladder)trans-66.4116.7163.127.7-30.1000107.1L182P180-L182 PolarHBondContact O-N 2.96Å
181I68.7Low66.9Low28 Ų2884.6 Ų84.614%0.14450%0.503CS..  trans-91.793168.1-57.4-170.3000105.1F126 W160 L165 L167 W179F126-I181 HydrophobicContact CD1-CD1 3.94Å; F126-I181 HydrophobicContact CE1-CD1 3.23Å; F126-I181 HydrophobicContact CZ-CD1 3.6Å; W160-I181 HydrophobicContact CE3-CD1 4.34Å; W160-I181 HydrophobicContact CH2-CB 3.99Å; W160-I181 HydrophobicContact CZ3-CB 3.71Å; W160-I181 HydrophobicContact CZ3-CD1 3.84Å; W160-I181 HydrophobicContact CZ3-CG1 3.86Å; L165-I181 PolarHBondContact O-N 3.45Å; L167-I181 HydrophobicContact CB-CD1 3.53Å; L167-I181 HydrophobicContact CB-CG1 3.98Å; L167-I181 HydrophobicContact CD2-CD1 3.85Å; L167-I181 HydrophobicContact CG-CD1 4.21Å; W179-I181 PolarHBondContact O-N 3.18Å; W179-I181 VanDerWaalsContact O-N 3.17Å
182L58.6Low64.9Low120 Ų12088.8 Ų88.863%0.62852%0.522SS*.  trans-52.1134.6164.9-65.7172.3000106.8P180 L184 I190P180-L182 PolarHBondContact O-N 2.96Å; L182-L184 PolarHBondContact O-N 2.89Å; L182-I190 HydrophobicContact CD1-CD1 4.14Å
183P53.4Low62.4Low88 Ų8892.9 Ų92.957%0.57154%0.536SS*.  trans-49.4134.5179.518.4-29.6000108S185P183-S185 PolarHBondContact O-N 3.3Å; P183-S185 PolarHBondContact O-OG 3.23Å
184L50.4Low59.4Low84 Ų8498.4 Ų98.444%0.4456%0.56SS.*  trans-63.267.5171.7-67.2160.7000107.9I135 L182I135-L184 HydrophobicContact CG2-CD1 4.16Å; L182-L184 PolarHBondContact O-N 2.89Å
185S37.9Very low56.5Low73 Ų73107.3 Ų107.351%0.5158%0.579SS.*  trans-79.4120.1165.451.20000105.6P183 N187P183-S185 PolarHBondContact O-N 3.3Å; P183-S185 PolarHBondContact O-OG 3.23Å; S185-N187 VanDerWaalsContact C-N 3.33Å; S185-N187 PolarHBondContact O-N 2.9Å
186S32Very low54.4Low99 Ų99109.5 Ų109.569%0.69259%0.591SS**THydrogen-bonded Turntrans-54.599.3166.2490000107.9
187N31.5Very low52.2Low149 Ų149108.8 Ų108.880%0.79759%0.589SS**THydrogen-bonded Turntrans1700.3145.6-85.4-13.7000116.4S185S185-N187 VanDerWaalsContact C-N 3.33Å; S185-N187 PolarHBondContact O-N 2.9Å
188N34.5Very low49.8Very low131 Ų131111.9 Ų111.970%0.70161%0.608SS**  trans-110.6105.5179.8-67.2-24.6000112I190N188-I190 PolarHBondContact O-N 3.1Å
189V33.5Very low47.2Very low140 Ų140114.2 Ų114.285%0.84862%0.618SS**  trans-55.1102.3155.6178.50000106.4
190I42.1Very low45.1Very low106 Ų106118.6 Ų118.654%0.54465%0.646SS.*  trans-96.9110.5165.3-61.4175.1000104.4L182 N188 D192L182-I190 HydrophobicContact CD1-CD1 4.14Å; N188-I190 PolarHBondContact O-N 3.1Å; I190-D192 PolarHBondContact O-N 2.93Å
191D39Very low42.9Very low123 Ų123120.2 Ų120.266%0.65865%0.648SS**  trans-52.8118.9165.8-91.2-33000108.3D193D191-D193 PolarHBondContact O-N 2.69Å
192D51.3Low41.1Very low101 Ų101126.8 Ų126.854%0.5468%0.684SS.*SBendtrans-7425.8175.7-83.6-47.5000111.6K146 I190K146-D192 IonicContact NZ-OD1 3.75Å; K146-D192 IonicContact NZ-OD2 2.95Å; K146-D192 PolarHBondContact NZ-OD2 3.43Å; I190-D192 PolarHBondContact O-N 2.93Å
193D43.5Very low39.7Very low148 Ų148127.3 Ų127.379%0.79169%0.688SS**  trans-106.920.3-175.5-85.5-12.9000114.5D191D191-D193 PolarHBondContact O-N 2.69Å
194Q32.4Very low38.6Very low154 Ų154130.6 Ų130.672%0.7270%0.698SS**  trans-124.5113.7169.2-65.4-172.230.500110.4
195F34.9Very low37.5Very low259 Ų259134.8 Ų134.8100%1.13672%0.722SS**  trans93.60170.3-47.4-68.9000117.9

Retrieved 195 of 195 residues in 357.2 ms (Link to these results)