A0A3Q0KIX3_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KIX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 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
1M40.3Very low62Low227 Ų227100.5 Ų100.5100%1.11853%0.533SS*.  01090-146.1-173.7-171.200106.7I3M1-I3 PolarHBondContact O-N 3.47Å; M1-I3 VanDerWaalsContact O-N 3.14Å
2P49.4Very low62.7Low119 Ų11997.4 Ų97.477%0.77351%0.512SS*.  trans-61.7119.5172.125.4-29.3000107.1F4P2-F4 VanDerWaalsContact C-N 3.25Å; P2-F4 PolarHBondContact O-N 2.94Å
3I48Very low63.6Low171 Ų17190.9 Ų90.988%0.87748%0.478SS*.  trans-68.593176.8-62.3169.2000105.8M1 N5M1-I3 PolarHBondContact O-N 3.47Å; M1-I3 VanDerWaalsContact O-N 3.14Å; I3-N5 PolarHBondContact O-N 3.27Å
4F60.5Low64.1Low80 Ų8091.2 Ų91.235%0.35149%0.485SS..  trans-78.9115.9-176.1-166.5-80.4000108.9P2 P6 T8 V9 F63P2-F4 VanDerWaalsContact C-N 3.25Å; P2-F4 PolarHBondContact O-N 2.94Å; F4-P6 WeakPolarHBondContact O-CD 3.29Å; F4-T8 HydrophobicContact CE2-CG2 4.24Å; F4-T8 HydrophobicContact CZ-CG2 3.74Å; F4-V9 HydrophobicContact CD1-CB 4.11Å; F4-V9 HydrophobicContact CD1-CG2 3.62Å; F4-V9 HydrophobicContact CD2-CG2 4.33Å; F4-V9 VanDerWaalsContact CE1-CA 3.49Å; F4-V9 HydrophobicContact CE1-CB 3.2Å; F4-V9 HydrophobicContact CE1-CG2 2.94Å; F4-V9 HydrophobicContact CE2-CG2 3.73Å; F4-V9 HydrophobicContact CG-CG2 4.29Å; F4-V9 VanDerWaalsContact CZ-CA 3.48Å; F4-V9 HydrophobicContact CZ-CB 3.55Å; F4-V9 HydrophobicContact CZ-CG2 3Å; F4-F63 HydrophobicContact CD2-CZ 4.22Å; F4-F63 HydrophobicContact CG-CZ 4.26Å
5N68.6Low64.3Low81 Ų8198.4 Ų98.443%0.43351%0.505SS..  trans-70.4115.3173.5177.6-8.5000108.2I3 K7 T8I3-N5 PolarHBondContact O-N 3.27Å; N5-K7 PolarHBondContact O-N 3.5Å; N5-K7 WeakPolarHBondContact OD1-CB 3.46Å; N5-K7 PolarHBondContact OD1-N 3.4Å; N5-K7 VanDerWaalsContact OD1-N 3.13Å; N5-T8 WeakPolarHBondContact O-CA 3.48Å; N5-T8 VanDerWaalsContact O-CB 3.28Å; N5-T8 WeakPolarHBondContact O-CB 3.44Å; N5-T8 PolarHBondContact O-N 3.29Å
6P65Low64.9Low85 Ų8597.3 Ų97.355%0.55250%0.497SS*.Hα-helixtrans-53.3-32.3-175.521-33.2000112.8F4 T8 V9 T10F4-P6 WeakPolarHBondContact O-CD 3.29Å; P6-T8 PolarHBondContact O-N 3Å; P6-V9 PolarHBondContact O-N 3.16Å; P6-T10 PolarHBondContact O-N 3.31Å; P6-T10 PolarHBondContact O-OG1 3.15Å; P6-T10 VanDerWaalsContact O-OG1 3.12Å
7K70.6Confident66Low151 Ų151103.1 Ų103.166%0.65752%0.518SS*.Hα-helixtrans-59.6-34.6175.1-60.9-178.4178.9178.30112.5N5 N11N5-K7 PolarHBondContact O-N 3.5Å; N5-K7 WeakPolarHBondContact OD1-CB 3.46Å; N5-K7 PolarHBondContact OD1-N 3.4Å; N5-K7 VanDerWaalsContact OD1-N 3.13Å; K7-N11 VanDerWaalsContact O-CB 3.32Å; K7-N11 WeakPolarHBondContact O-CB 3.16Å; K7-N11 PolarHBondContact O-N 3.47Å; K7-N11 PolarHBondContact O-OD1 3.45Å
8T71.3Confident66.9Low71 Ų71102.2 Ų102.244%0.43651%0.512SS..Hα-helixtrans-68.3-36.5178.7-55.10000111.9F4 N5 P6 F12F4-T8 HydrophobicContact CE2-CG2 4.24Å; F4-T8 HydrophobicContact CZ-CG2 3.74Å; N5-T8 WeakPolarHBondContact O-CA 3.48Å; N5-T8 VanDerWaalsContact O-CB 3.28Å; N5-T8 WeakPolarHBondContact O-CB 3.44Å; N5-T8 PolarHBondContact O-N 3.29Å; P6-T8 PolarHBondContact O-N 3Å; T8-F12 VanDerWaalsContact O-CB 3.32Å; T8-F12 WeakPolarHBondContact O-CB 3.41Å; T8-F12 PolarHBondContact O-N 3.16Å
9V68.1Low68Low0 Ų0100.9 Ų100.90%050%0.504CS..Hα-helixtrans-74.9-44.5179.7150.50000106.7F4 P6 N11 F12 L13 I46 I61 F63F4-V9 HydrophobicContact CD1-CB 4.11Å; F4-V9 HydrophobicContact CD1-CG2 3.62Å; F4-V9 HydrophobicContact CD2-CG2 4.33Å; F4-V9 VanDerWaalsContact CE1-CA 3.49Å; F4-V9 HydrophobicContact CE1-CB 3.2Å; F4-V9 HydrophobicContact CE1-CG2 2.94Å; F4-V9 HydrophobicContact CE2-CG2 3.73Å; F4-V9 HydrophobicContact CG-CG2 4.29Å; F4-V9 VanDerWaalsContact CZ-CA 3.48Å; F4-V9 HydrophobicContact CZ-CB 3.55Å; F4-V9 HydrophobicContact CZ-CG2 3Å; P6-V9 PolarHBondContact O-N 3.16Å; V9-N11 VanDerWaalsContact C-N 3.25Å; V9-N11 PolarHBondContact O-N 3.15Å; V9-F12 WeakPolarHBondContact O-CB 3.42Å; V9-F12 PolarHBondContact O-N 2.96Å; V9-F12 VanDerWaalsContact O-N 3.11Å; V9-L13 HydrophobicContact CG1-CD1 3.59Å; V9-L13 HydrophobicContact CG1-CG 3.99Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 VanDerWaalsContact O-CG 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.44Å; V9-L13 PolarHBondContact O-N 3.47Å; V9-I46 HydrophobicContact CG2-CD1 4.1Å; V9-I61 HydrophobicContact CB-CD1 3.76Å; V9-I61 HydrophobicContact CG1-CD1 3.39Å; V9-I61 HydrophobicContact CG1-CG1 3.85Å; V9-I61 HydrophobicContact CG1-CG2 4.38Å; V9-I61 HydrophobicContact CG2-CD1 3.96Å; V9-I61 HydrophobicContact CG2-CG2 4.32Å; V9-F63 HydrophobicContact CG2-CZ 4.33Å
10T68.6Low69.3Low31 Ų3197.7 Ų97.719%0.1949%0.487CS..Hα-helixtrans-56.8-45.3176.6-530000110.3P6 L13 T14 K56P6-T10 PolarHBondContact O-N 3.31Å; P6-T10 PolarHBondContact O-OG1 3.15Å; P6-T10 VanDerWaalsContact O-OG1 3.12Å; T10-L13 PolarHBondContact O-N 3.49Å; T10-T14 WeakPolarHBondContact O-CG2 3.36Å; T10-T14 PolarHBondContact O-N 3.37Å; T10-T14 VanDerWaalsContact O-N 3.1Å; T10-T14 PolarHBondContact O-OG1 3.01Å; T10-K56 WeakPolarHBondContact CG2-O 3.07Å
11N71.9Confident70.5Confident90 Ų9095.5 Ų95.548%0.48148%0.478SS..Hα-helixtrans-61.3-45.7174.8-71.3-3.4000112K7 V9 L13 T14 Y15K7-N11 VanDerWaalsContact O-CB 3.32Å; K7-N11 WeakPolarHBondContact O-CB 3.16Å; K7-N11 PolarHBondContact O-N 3.47Å; K7-N11 PolarHBondContact O-OD1 3.45Å; V9-N11 VanDerWaalsContact C-N 3.25Å; V9-N11 PolarHBondContact O-N 3.15Å; N11-L13 PolarHBondContact O-N 3Å; N11-T14 WeakPolarHBondContact CA-OG1 3.45Å; N11-T14 PolarHBondContact O-N 3.15Å; N11-T14 VanDerWaalsContact O-N 3.09Å; N11-T14 PolarHBondContact O-OG1 3.44Å; N11-Y15 WeakPolarHBondContact O-CD2 3.48Å; N11-Y15 PolarHBondContact O-N 3.29Å
12F70.5Confident73.2Confident63 Ų6385.4 Ų85.428%0.27643%0.433SS..Hα-helixtrans-57.3-48.3177.6-178.9-92.8000112.1T8 V9 T14 Y15 E16 C43 I46T8-F12 VanDerWaalsContact O-CB 3.32Å; T8-F12 WeakPolarHBondContact O-CB 3.41Å; T8-F12 PolarHBondContact O-N 3.16Å; V9-F12 WeakPolarHBondContact O-CB 3.42Å; V9-F12 PolarHBondContact O-N 2.96Å; V9-F12 VanDerWaalsContact O-N 3.11Å; F12-T14 PolarHBondContact O-N 3.37Å; F12-Y15 PolarHBondContact O-N 3.38Å; F12-E16 HydrophobicContact CD2-CG 4.21Å; F12-E16 VanDerWaalsContact CE1-CD 3.49Å; F12-E16 HydrophobicContact CE1-CG 4.24Å; F12-E16 WeakPolarHBondContact CE1-OE2 2.76Å; F12-E16 HydrophobicContact CE2-CG 3.93Å; F12-E16 WeakPolarHBondContact CE2-OE1 3.31Å; F12-E16 HydrophobicContact CZ-CG 3.99Å; F12-E16 WeakPolarHBondContact CZ-OE1 3.29Å; F12-E16 WeakPolarHBondContact CZ-OE2 3.26Å; F12-E16 PolarHBondContact O-N 3.25Å; F12-C43 HydrophobicContact CE1-CB 4.5Å; F12-I46 HydrophobicContact CD1-CD1 3.69Å; F12-I46 HydrophobicContact CE1-CD1 3.61Å; F12-I46 HydrophobicContact CE1-CG1 4.26Å; F12-I46 HydrophobicContact CG-CD1 4.47Å; F12-I46 HydrophobicContact CZ-CD1 4.32Å
13L73.7Confident75.4Confident13 Ų1383.7 Ų83.77%0.06841%0.413CS..Hα-helixtrans-61.6-27.5176.7-67.2171.1000112.8V9 T10 N11 I41 C43 I46 A48 F50V9-L13 HydrophobicContact CG1-CD1 3.59Å; V9-L13 HydrophobicContact CG1-CG 3.99Å; V9-L13 WeakPolarHBondContact O-CB 3.43Å; V9-L13 VanDerWaalsContact O-CG 3.31Å; V9-L13 WeakPolarHBondContact O-CG 3.44Å; V9-L13 PolarHBondContact O-N 3.47Å; T10-L13 PolarHBondContact O-N 3.49Å; N11-L13 PolarHBondContact O-N 3Å; L13-I41 HydrophobicContact CD2-CG2 4.35Å; L13-C43 HydrophobicContact CD2-CB 3.81Å; L13-I46 HydrophobicContact CD2-CG2 4.25Å; L13-A48 HydrophobicContact CD1-CB 3.54Å; L13-A48 HydrophobicContact CD2-CB 4.25Å; L13-F50 HydrophobicContact CD1-CZ 4.27Å
14T70.3Confident77.8Confident95 Ų9575.6 Ų75.658%0.58337%0.371SS*.Hα-helixtrans-78.9-24.117854.40000114.4T10 N11 F12T10-T14 WeakPolarHBondContact O-CG2 3.36Å; T10-T14 PolarHBondContact O-N 3.37Å; T10-T14 VanDerWaalsContact O-N 3.1Å; T10-T14 PolarHBondContact O-OG1 3.01Å; N11-T14 WeakPolarHBondContact CA-OG1 3.45Å; N11-T14 PolarHBondContact O-N 3.15Å; N11-T14 VanDerWaalsContact O-N 3.09Å; N11-T14 PolarHBondContact O-OG1 3.44Å; F12-T14 PolarHBondContact O-N 3.37Å
15Y67.4Low79.5Confident199 Ų19976.7 Ų76.778%0.7837%0.373SS*.Hα-helixtrans-106.2-27.5-174.3-70.4-67.5000113.9N11 F12N11-Y15 WeakPolarHBondContact O-CD2 3.48Å; N11-Y15 PolarHBondContact O-N 3.29Å; F12-Y15 PolarHBondContact O-N 3.38Å
16E74.8Confident80.7Confident81 Ų8174 Ų7438%0.37936%0.358SS..SBendtrans-82.5153.2179.3-76.8-154.9165.300113F12 E18 C43F12-E16 HydrophobicContact CD2-CG 4.21Å; F12-E16 VanDerWaalsContact CE1-CD 3.49Å; F12-E16 HydrophobicContact CE1-CG 4.24Å; F12-E16 WeakPolarHBondContact CE1-OE2 2.76Å; F12-E16 HydrophobicContact CE2-CG 3.93Å; F12-E16 WeakPolarHBondContact CE2-OE1 3.31Å; F12-E16 HydrophobicContact CZ-CG 3.99Å; F12-E16 WeakPolarHBondContact CZ-OE1 3.29Å; F12-E16 WeakPolarHBondContact CZ-OE2 3.26Å; F12-E16 PolarHBondContact O-N 3.25Å; E16-E18 PolarHBondContact O-N 3.42Å; E16-C43 WeakPolarHBondContact CB-SG 3.38Å; E16-C43 PolarHBondContact OE2-SG 2.68Å
17K83.1Confident82.1Confident196 Ų19671.9 Ų71.985%0.85234%0.34SS*.PPolyproline II helixtrans-72.4119176.6-177.1-178.6177.3-176.90109.5E19K17-E19 PolarHBondContact O-N 3.2Å
18E82.5Confident82.8Confident87 Ų8772.6 Ų72.641%0.40734%0.339SS..PPolyproline II helixtrans-61.9125.6174.2-53.5175156.200110.4E16 V21 I41E16-E18 PolarHBondContact O-N 3.42Å; E18-V21 HydrophobicContact CB-CG1 3.83Å; E18-V21 HydrophobicContact CG-CG1 4.12Å; E18-V21 WeakPolarHBondContact OE2-CG1 3.32Å; E18-I41 HydrophobicContact CB-CG2 4.45Å; E18-I41 HydrophobicContact CG-CG2 3.92Å
19E88Confident83.3Confident77 Ų7771.5 Ų71.536%0.3633%0.334SS..SBendtrans-78.7-41.2177.7-176.5172.9179.400111.1K17 L42 A107 R110 C111K17-E19 PolarHBondContact O-N 3.2Å; E19-L42 HydrophobicContact CB-CD2 4.34Å; E19-L42 HydrophobicContact CB-CG 4.35Å; E19-L42 HydrophobicContact CG-CD2 4.45Å; E19-L42 PolarHBondContact N-O 3.26Å; E19-A107 HydrophobicContact CG-CB 4.44Å; E19-R110 IonicContact OE1-CZ 2.73Å; E19-R110 IonicContact OE1-NH1 3.9Å; E19-R110 PolarHBondContact OE1-NH1 2.98Å; E19-C111 PolarHBondContact OE2-SG 3.49Å
20K93.5Very high83.6Confident37 Ų3776.7 Ų76.716%0.16136%0.358CS..EExtended strand (participates in β ladder)trans-154.1141.7173.1-172.3166.6162.783.40110.7L42 D100 D103 W104 A107K20-L42 HydrophobicContact CB-CD2 4.49Å; K20-L42 WeakPolarHBondContact O-CB 3.35Å; K20-L42 PolarHBondContact O-N 3.49Å; K20-D100 IonicContact NZ-OD1 3.79Å; K20-D100 PolarHBondContact NZ-OD1 3.06Å; K20-D103 HydrophobicContact CD-CB 4.27Å; K20-D103 VanDerWaalsContact NZ-CB 3.33Å; K20-D103 IonicContact NZ-OD2 2.92Å; K20-W104 HydrophobicContact CB-CE3 4.49Å; K20-W104 HydrophobicContact CB-CH2 4.45Å; K20-W104 HydrophobicContact CB-CZ3 4.26Å; K20-W104 HydrophobicContact CD-CD2 3.78Å; K20-W104 HydrophobicContact CD-CE3 4.07Å; K20-W104 HydrophobicContact CD-CG 4.01Å; K20-W104 VanDerWaalsContact CE-CE2 3.42Å; K20-W104 VanDerWaalsContact CE-NE1 3.27Å; K20-W104 HydrophobicContact CG-CD2 4.16Å; K20-W104 HydrophobicContact CG-CE3 4.21Å; K20-W104 HydrophobicContact CG-CH2 4.16Å; K20-W104 HydrophobicContact CG-CZ2 4.11Å; K20-W104 HydrophobicContact CG-CZ3 4.22Å; K20-A107 HydrophobicContact CB-CB 4.11Å; K20-A107 HydrophobicContact CD-CB 4.15Å
21V95.1Very high83.9Confident52 Ų5283.9 Ų83.932%0.31539%0.389SS..EExtended strand (participates in β ladder)trans-134.3153.6174.7-59.30000111E18 Y39 F40 I41E18-V21 HydrophobicContact CB-CG1 3.83Å; E18-V21 HydrophobicContact CG-CG1 4.12Å; E18-V21 WeakPolarHBondContact OE2-CG1 3.32Å; V21-Y39 HydrophobicContact CB-CE1 4.43Å; V21-Y39 WeakPolarHBondContact CB-OH 3.48Å; V21-Y39 WeakPolarHBondContact CG2-OH 3.34Å; V21-F40 VanDerWaalsContact CA-O 3.31Å; V21-F40 WeakPolarHBondContact CA-O 3.38Å; V21-I41 HydrophobicContact CG1-CB 4.24Å; V21-I41 HydrophobicContact CG1-CG1 4.04Å; V21-I41 HydrophobicContact CG1-CG2 3.97Å
22G96.1Very high84.1Confident15 Ų1585.4 Ų85.416%0.15539%0.392CS..EExtended strand (participates in β ladder)trans161.6175.2179.900000113.8F40G22-F40 PolarHBondContact N-O 3.3Å; G22-F40 VanDerWaalsContact N-O 3.11Å; G22-F40 PolarHBondContact O-N 3.39Å
23F96.7Very high84.6Confident83 Ų8391.9 Ų91.936%0.36442%0.42SS..EExtended strand (participates in β ladder)trans-90.7130.2176.5-74.7-79.3000111K37 R38 Y39 K53F23-K37 VanDerWaalsContact CB-CE 3.44Å; F23-K37 HydrophobicContact CB-CG 4.31Å; F23-K37 HydrophobicContact CD1-CD 4.31Å; F23-K37 HydrophobicContact CD1-CG 3.96Å; F23-K37 HydrophobicContact CG-CG 4.47Å; F23-R38 WeakPolarHBondContact CA-O 3.25Å; F23-Y39 HydrophobicContact CD1-CD2 4.15Å; F23-Y39 HydrophobicContact CD2-CD2 4.06Å; F23-Y39 AromaticContact CE1-CD2 3.96Å; F23-Y39 HydrophobicContact CE1-CD2 3.96Å; F23-Y39 HydrophobicContact CE1-CG 4.39Å; F23-Y39 AromaticContact CE2-CD2 3.86Å; F23-Y39 HydrophobicContact CE2-CD2 3.86Å; F23-Y39 HydrophobicContact CE2-CE2 4.38Å; F23-Y39 HydrophobicContact CG-CD2 4.21Å; F23-Y39 AromaticContact CZ-CD2 3.82Å; F23-Y39 HydrophobicContact CZ-CD2 3.82Å; F23-K53 HydrophobicContact CZ-CB 4.46Å
24L97Very high85.4Confident0 Ų094 Ų940%044%0.436CS..EExtended strand (participates in β ladder)trans-129.2156168.9-65.8173.5000110.6R38 F40 M77 L93 I101 W104L24-R38 PolarHBondContact N-O 3.07Å; L24-R38 PolarHBondContact O-N 2.98Å; L24-R38 VanDerWaalsContact O-O 3.12Å; L24-F40 HydrophobicContact CB-CD2 3.64Å; L24-F40 HydrophobicContact CB-CE2 3.62Å; L24-F40 HydrophobicContact CD1-CD2 4.19Å; L24-F40 HydrophobicContact CD1-CG 4.37Å; L24-F40 HydrophobicContact CG-CD2 4.22Å; L24-M77 HydrophobicContact CD1-CE 3.91Å; L24-L93 HydrophobicContact CD1-CB 4.34Å; L24-L93 HydrophobicContact CD1-CD1 4.02Å; L24-I101 HydrophobicContact CD2-CD1 4.02Å; L24-W104 HydrophobicContact CD1-CD2 3.69Å; L24-W104 HydrophobicContact CD1-CE3 4.25Å; L24-W104 HydrophobicContact CD1-CG 3.86Å; L24-W104 HydrophobicContact CD1-CZ2 4.2Å; L24-W104 HydrophobicContact CD2-CG 4.36Å; L24-W104 HydrophobicContact CG-CD2 4.42Å; L24-W104 HydrophobicContact CG-CG 4.49Å; L24-W104 HydrophobicContact CG-CZ2 4.39Å
25W96.3Very high86.5Confident103 Ų10392.8 Ų92.839%0.3942%0.421SS..EExtended strand (participates in β ladder)trans-91.5110.5173.3-66.789.8000109.3Y35 K36 K37 L93 K94W25-Y35 HydrophobicContact CB-CD1 4.11Å; W25-K36 CarbonylContact C-O 3.45Å; W25-K36 WeakPolarHBondContact CA-O 3.43Å; W25-K37 HydrophobicContact CD2-CB 4.14Å; W25-K37 HydrophobicContact CE3-CB 4Å; W25-K37 HydrophobicContact CH2-CB 4.1Å; W25-K37 HydrophobicContact CZ2-CB 4.23Å; W25-K37 HydrophobicContact CZ2-CD 4.07Å; W25-K37 HydrophobicContact CZ2-CG 4.45Å; W25-K37 HydrophobicContact CZ3-CB 3.99Å; W25-L93 CarbonylContact O-C 3.59Å; W25-L93 WeakPolarHBondContact O-CA 3.33Å; W25-K94 HydrophobicContact CB-CB 3.96Å; W25-K94 WeakPolarHBondContact CB-O 3.32Å; W25-K94 PolarHBondContact N-O 3.49Å; W25-K94 PolarHBondContact O-N 3.41Å
26K94.9Very high87.8Confident26 Ų2688 Ų8811%0.11340%0.404CS..EExtended strand (participates in β ladder)trans-92.9126.6178.5-178.5165.5173.6-93.70111.2Y35 K36 R38 F40 Y49 L93K26-Y35 WeakPolarHBondContact O-CA 3.44Å; K26-K36 PolarHBondContact N-O 3.05Å; K26-K36 PolarHBondContact O-N 3.38Å; K26-R38 HydrophobicContact CB-CG 4.29Å; K26-F40 HydrophobicContact CB-CE2 4.4Å; K26-F40 HydrophobicContact CB-CZ 4.05Å; K26-F40 HydrophobicContact CD-CZ 3.96Å; K26-F40 HydrophobicContact CG-CZ 4.46Å; K26-Y49 HydrophobicContact CD-CD1 4.5Å; K26-Y49 HydrophobicContact CD-CE1 4.41Å; K26-Y49 HydrophobicContact CD-CE2 4.43Å; K26-Y49 PolarHBondContact NZ-OH 3.29Å; K26-L93 HydrophobicContact CB-CD2 3.77Å; K26-L93 HydrophobicContact CD-CD2 4.29Å; K26-L93 HydrophobicContact CG-CD2 3.82Å
27K93.4Very high88.8Confident39 Ų3988.3 Ų88.317%0.1740%0.404CS..EExtended strand (participates in β ladder)trans-67.8135.1172.4-161.1-179.4177-175.70110.1S29 E30 K32 Y35 I92K27-S29 WeakPolarHBondContact CE-O 3.3Å; K27-S29 WeakPolarHBondContact CG-O 3.5Å; K27-E30 VanDerWaalsContact CE-O 3.3Å; K27-E30 WeakPolarHBondContact CE-O 3.12Å; K27-E30 PolarHBondContact NZ-O 2.91Å; K27-K32 WeakPolarHBondContact CE-O 3.46Å; K27-K32 WeakPolarHBondContact CG-O 3.09Å; K27-Y35 HydrophobicContact CB-CD1 4.04Å; K27-Y35 HydrophobicContact CB-CE1 3.74Å; K27-Y35 HydrophobicContact CG-CE1 4.18Å; K27-Y35 HydrophobicContact CG-CE2 4.49Å; K27-I92 HydrophobicContact CB-CB 3.97Å; K27-I92 HydrophobicContact CB-CG2 4.47Å; K27-I92 WeakPolarHBondContact CB-O 3.47Å; K27-I92 HydrophobicContact CD-CB 3.98Å; K27-I92 HydrophobicContact CD-CD1 3.82Å; K27-I92 HydrophobicContact CD-CG1 4.41Å; K27-I92 HydrophobicContact CD-CG2 4.32Å; K27-I92 PolarHBondContact N-O 2.93Å
28R85.9Confident89.4Confident167 Ų16780.9 Ų80.963%0.6337%0.371SS*.EExtended strand (participates in β ladder)trans-70.3-37.1-175.7-174.6173.6-178.7149.22.9113.1S34R28-S34 PolarHBondContact N-O 2.93Å
29S81.2Confident90.1Very high48 Ų4877.4 Ų77.434%0.33635%0.354SS..EExtended strand (participates in β ladder)trans-157.8150-178.61650000107.6K27 Q31 K32K27-S29 WeakPolarHBondContact CE-O 3.3Å; K27-S29 WeakPolarHBondContact CG-O 3.5Å; S29-Q31 PolarHBondContact O-N 2.74Å; S29-Q31 PolarHBondContact OG-N 3.33Å; S29-K32 PolarHBondContact O-N 3.17Å; S29-K32 VanDerWaalsContact O-N 3.12Å; S29-K32 VanDerWaalsContact O-O 3.07Å
30E74.1Confident90.5Very high109 Ų10973.7 Ų73.751%0.50934%0.337SS..THydrogen-bonded Turntrans-57.3-33.6178.3-169.8150-151.100112.6K27 S90K27-E30 VanDerWaalsContact CE-O 3.3Å; K27-E30 WeakPolarHBondContact CE-O 3.12Å; K27-E30 PolarHBondContact NZ-O 2.91Å; E30-S90 PolarHBondContact OE1-OG 3.36Å; E30-S90 PolarHBondContact OE2-OG 2.73Å
31Q74.5Confident90.5Very high182 Ų18272.7 Ų72.785%0.8533%0.333SS*.THydrogen-bonded Turntrans-79.4-26.2179.3-63.7176.3-17.500113.6S29S29-Q31 PolarHBondContact O-N 2.74Å; S29-Q31 PolarHBondContact OG-N 3.33Å
32K78.1Confident90.5Very high122 Ų12270.2 Ų70.253%0.5332%0.318SS..EExtended strand (participates in β ladder)trans-96.7135.1-173.9-68-172.2175.6-178.40111.3K27 S29 S34K27-K32 WeakPolarHBondContact CE-O 3.46Å; K27-K32 WeakPolarHBondContact CG-O 3.09Å; S29-K32 PolarHBondContact O-N 3.17Å; S29-K32 VanDerWaalsContact O-N 3.12Å; S29-K32 VanDerWaalsContact O-O 3.07Å; K32-S34 PolarHBondContact O-N 3.25Å
33K80.4Confident90.2Very high198 Ų19869.5 Ų69.586%0.86131%0.311SS*.EExtended strand (participates in β ladder)trans-78.25.8177.5-65.1-175.8179.6179.80114.5Y35K33-Y35 WeakPolarHBondContact O-CD2 3.38Å
34S90.4Very high89.7Confident58 Ų5867.3 Ų67.341%0.40631%0.311SS..EExtended strand (participates in β ladder)trans-87.3130.6-177.656.10000112.6R28 K32R28-S34 PolarHBondContact N-O 2.93Å; K32-S34 PolarHBondContact O-N 3.25Å
35Y92.8Very high89.3Confident70 Ų7070 Ų7028%0.27533%0.326SS..EExtended strand (participates in β ladder)trans-109.3146.6174.7-69.8-96.6000110.2W25 K26 K27 K33 I92 K94W25-Y35 HydrophobicContact CB-CD1 4.11Å; K26-Y35 WeakPolarHBondContact O-CA 3.44Å; K27-Y35 HydrophobicContact CB-CD1 4.04Å; K27-Y35 HydrophobicContact CB-CE1 3.74Å; K27-Y35 HydrophobicContact CG-CE1 4.18Å; K27-Y35 HydrophobicContact CG-CE2 4.49Å; K33-Y35 WeakPolarHBondContact O-CD2 3.38Å; Y35-I92 HydrophobicContact CE1-CG2 4.25Å; Y35-K94 HydrophobicContact CD1-CB 4.35Å; Y35-K94 HydrophobicContact CE1-CB 4.13Å
36K94.7Very high89.1Confident97 Ų9765.5 Ų65.542%0.42231%0.309SS..EExtended strand (participates in β ladder)trans-123.5132.7170.6-71-164.5171.4-164.60110W25 K26 R38W25-K36 CarbonylContact C-O 3.45Å; W25-K36 WeakPolarHBondContact CA-O 3.43Å; K26-K36 PolarHBondContact N-O 3.05Å; K26-K36 PolarHBondContact O-N 3.38Å; K36-R38 PolarHBondContact O-N 3.21Å
37K95.7Very high89Confident88 Ų8864.3 Ų64.338%0.38330%0.304SS..EExtended strand (participates in β ladder)trans-66.8130.6171.1-164.2170-175.1171.50109F23 W25F23-K37 VanDerWaalsContact CB-CE 3.44Å; F23-K37 HydrophobicContact CB-CG 4.31Å; F23-K37 HydrophobicContact CD1-CD 4.31Å; F23-K37 HydrophobicContact CD1-CG 3.96Å; F23-K37 HydrophobicContact CG-CG 4.47Å; W25-K37 HydrophobicContact CD2-CB 4.14Å; W25-K37 HydrophobicContact CE3-CB 4Å; W25-K37 HydrophobicContact CH2-CB 4.1Å; W25-K37 HydrophobicContact CZ2-CB 4.23Å; W25-K37 HydrophobicContact CZ2-CD 4.07Å; W25-K37 HydrophobicContact CZ2-CG 4.45Å; W25-K37 HydrophobicContact CZ3-CB 3.99Å
38R96.4Very high89Confident41 Ų4162.4 Ų62.416%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-140.1144.9-179-64.9-66.8177.2-124.132.2108.5F23 L24 K26 K36 F40 Y49 F50 D51F23-R38 WeakPolarHBondContact CA-O 3.25Å; L24-R38 PolarHBondContact N-O 3.07Å; L24-R38 PolarHBondContact O-N 2.98Å; L24-R38 VanDerWaalsContact O-O 3.12Å; K26-R38 HydrophobicContact CB-CG 4.29Å; K36-R38 PolarHBondContact O-N 3.21Å; R38-F40 HydrophobicContact CB-CD2 4.16Å; R38-F40 HydrophobicContact CB-CE2 3.64Å; R38-F40 HydrophobicContact CB-CZ 4.35Å; R38-F40 WeakPolarHBondContact O-CD2 3.43Å; R38-Y49 HydrophobicContact CG-CD2 4.31Å; R38-F50 WeakPolarHBondContact CA-O 2.94Å; R38-F50 VanDerWaalsContact CD-O 3.28Å; R38-F50 WeakPolarHBondContact CD-O 3.42Å; R38-D51 IonicContact CZ-OD1 3.02Å; R38-D51 IonicContact NH1-OD1 2.64Å; R38-D51 PolarHBondContact NH1-OD1 2.99Å; R38-D51 IonicContact NH2-OD1 2.96Å; R38-D51 PolarHBondContact NH2-OD1 3.18Å
39Y96.3Very high89.4Confident13 Ų1355.8 Ų55.85%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-87.5123.8172.9-172.7-100.9000108.4V21 F23 I41 Y49 F50 K53V21-Y39 HydrophobicContact CB-CE1 4.43Å; V21-Y39 WeakPolarHBondContact CB-OH 3.48Å; V21-Y39 WeakPolarHBondContact CG2-OH 3.34Å; F23-Y39 HydrophobicContact CD1-CD2 4.15Å; F23-Y39 HydrophobicContact CD2-CD2 4.06Å; F23-Y39 AromaticContact CE1-CD2 3.96Å; F23-Y39 HydrophobicContact CE1-CD2 3.96Å; F23-Y39 HydrophobicContact CE1-CG 4.39Å; F23-Y39 AromaticContact CE2-CD2 3.86Å; F23-Y39 HydrophobicContact CE2-CD2 3.86Å; F23-Y39 HydrophobicContact CE2-CE2 4.38Å; F23-Y39 HydrophobicContact CG-CD2 4.21Å; F23-Y39 AromaticContact CZ-CD2 3.82Å; F23-Y39 HydrophobicContact CZ-CD2 3.82Å; Y39-I41 HydrophobicContact CD1-CD1 4.32Å; Y39-I41 HydrophobicContact CD1-CG1 3.96Å; Y39-I41 HydrophobicContact CE1-CD1 3.92Å; Y39-I41 HydrophobicContact CE1-CG1 3.63Å; Y39-Y49 CarbonylContact O-C 3.54Å; Y39-Y49 WeakPolarHBondContact O-CA 3.02Å; Y39-F50 HydrophobicContact CD1-CD2 4.42Å; Y39-F50 PolarHBondContact N-O 3.05Å; Y39-F50 PolarHBondContact O-N 3.38Å; Y39-K53 HydrophobicContact CD1-CB 4.34Å; Y39-K53 HydrophobicContact CD1-CG 4.39Å; Y39-K53 HydrophobicContact CD2-CB 3.98Å; Y39-K53 HydrophobicContact CD2-CG 4.25Å; Y39-K53 HydrophobicContact CE1-CB 4.41Å; Y39-K53 HydrophobicContact CE1-CG 3.97Å; Y39-K53 HydrophobicContact CE2-CB 4.05Å; Y39-K53 HydrophobicContact CE2-CD 3.87Å; Y39-K53 HydrophobicContact CE2-CG 3.81Å; Y39-K53 HydrophobicContact CG-CB 4.11Å; Y39-K53 WeakPolarHBondContact OH-CE 3.43Å
40F96.4Very high90.1Very high0 Ų054.1 Ų54.10%026%0.258CS..EExtended strand (participates in β ladder)trans-106.2142.7-178.4-76.9-99.3000110.6V21 G22 L24 K26 R38 L47 A48 Y49 L93 W104V21-F40 VanDerWaalsContact CA-O 3.31Å; V21-F40 WeakPolarHBondContact CA-O 3.38Å; G22-F40 PolarHBondContact N-O 3.3Å; G22-F40 VanDerWaalsContact N-O 3.11Å; G22-F40 PolarHBondContact O-N 3.39Å; L24-F40 HydrophobicContact CB-CD2 3.64Å; L24-F40 HydrophobicContact CB-CE2 3.62Å; L24-F40 HydrophobicContact CD1-CD2 4.19Å; L24-F40 HydrophobicContact CD1-CG 4.37Å; L24-F40 HydrophobicContact CG-CD2 4.22Å; K26-F40 HydrophobicContact CB-CE2 4.4Å; K26-F40 HydrophobicContact CB-CZ 4.05Å; K26-F40 HydrophobicContact CD-CZ 3.96Å; K26-F40 HydrophobicContact CG-CZ 4.46Å; R38-F40 HydrophobicContact CB-CD2 4.16Å; R38-F40 HydrophobicContact CB-CE2 3.64Å; R38-F40 HydrophobicContact CB-CZ 4.35Å; R38-F40 WeakPolarHBondContact O-CD2 3.43Å; F40-L47 HydrophobicContact CB-CD1 4.33Å; F40-L47 HydrophobicContact CD1-CD1 3.8Å; F40-L47 HydrophobicContact CD1-CD2 4.21Å; F40-L47 HydrophobicContact CD1-CG 3.92Å; F40-L47 HydrophobicContact CE1-CD2 4.36Å; F40-L47 HydrophobicContact CE1-CG 4.41Å; F40-A48 WeakPolarHBondContact CA-O 3.08Å; F40-Y49 HydrophobicContact CE1-CD1 4.2Å; F40-Y49 HydrophobicContact CE1-CG 4.21Å; F40-Y49 HydrophobicContact CZ-CG 4.41Å; F40-L93 HydrophobicContact CE1-CD1 4Å; F40-L93 HydrophobicContact CE1-CD2 4.15Å; F40-L93 HydrophobicContact CE2-CD2 4.28Å; F40-L93 HydrophobicContact CZ-CD1 4.09Å; F40-L93 HydrophobicContact CZ-CD2 3.53Å; F40-L93 HydrophobicContact CZ-CG 4.5Å; F40-W104 HydrophobicContact CB-CH2 3.48Å; F40-W104 VanDerWaalsContact CB-CH2 3.48Å; F40-W104 HydrophobicContact CB-CZ2 3.93Å; F40-W104 HydrophobicContact CB-CZ3 4.15Å
41I94.7Very high91Very high16 Ų1652.3 Ų52.38%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-128.1122.4172.2-56.4-177.7000107.3L13 E18 V21 Y39 A48 F50L13-I41 HydrophobicContact CD2-CG2 4.35Å; E18-I41 HydrophobicContact CB-CG2 4.45Å; E18-I41 HydrophobicContact CG-CG2 3.92Å; V21-I41 HydrophobicContact CG1-CB 4.24Å; V21-I41 HydrophobicContact CG1-CG1 4.04Å; V21-I41 HydrophobicContact CG1-CG2 3.97Å; Y39-I41 HydrophobicContact CD1-CD1 4.32Å; Y39-I41 HydrophobicContact CD1-CG1 3.96Å; Y39-I41 HydrophobicContact CE1-CD1 3.92Å; Y39-I41 HydrophobicContact CE1-CG1 3.63Å; I41-A48 PolarHBondContact N-O 2.91Å; I41-A48 PolarHBondContact O-N 3.44Å; I41-F50 HydrophobicContact CB-CE2 4.26Å; I41-F50 HydrophobicContact CD1-CD2 4.11Å; I41-F50 HydrophobicContact CD1-CE2 3.49Å; I41-F50 VanDerWaalsContact CD1-CE2 3.49Å; I41-F50 HydrophobicContact CD1-CZ 4.07Å; I41-F50 HydrophobicContact CG1-CD2 4.23Å; I41-F50 HydrophobicContact CG1-CE2 3.82Å
42L94Very high91.9Very high0 Ų050 Ų500%024%0.239CC..EExtended strand (participates in β ladder)trans-104.4124.6173.6179.766.7000109.5E19 K20 L47 L64 W104 A107 I108E19-L42 HydrophobicContact CB-CD2 4.34Å; E19-L42 HydrophobicContact CB-CG 4.35Å; E19-L42 HydrophobicContact CG-CD2 4.45Å; E19-L42 PolarHBondContact N-O 3.26Å; K20-L42 HydrophobicContact CB-CD2 4.49Å; K20-L42 WeakPolarHBondContact O-CB 3.35Å; K20-L42 PolarHBondContact O-N 3.49Å; L42-L47 HydrophobicContact CB-CD1 4.08Å; L42-L47 HydrophobicContact CD1-CB 4.2Å; L42-L47 HydrophobicContact CD1-CD1 4.12Å; L42-L64 HydrophobicContact CD1-CD1 3.47Å; L42-L64 VanDerWaalsContact CD1-CD1 3.47Å; L42-W104 HydrophobicContact CB-CZ3 4Å; L42-A107 HydrophobicContact CD2-CB 3.58Å; L42-I108 HydrophobicContact CD1-CG1 4.46Å; L42-I108 HydrophobicContact CD2-CG1 4.08Å
43C90.4Very high92.5Very high0 Ų050.5 Ų50.50%024%0.241CC..EExtended strand (participates in β ladder)trans-144113.9-179.9-158.90000109.9F12 L13 E16 N45 I46F12-C43 HydrophobicContact CE1-CB 4.5Å; L13-C43 HydrophobicContact CD2-CB 3.81Å; E16-C43 WeakPolarHBondContact CB-SG 3.38Å; E16-C43 PolarHBondContact OE2-SG 2.68Å; C43-N45 PolarHBondContact O-N 3.28Å; C43-I46 PolarHBondContact N-O 3.09Å; C43-I46 WeakPolarHBondContact O-CA 3.09Å; C43-I46 WeakPolarHBondContact O-CB 3.15Å; C43-I46 PolarHBondContact O-N 3.17Å
44G86.2Confident92.9Very high36 Ų3648.7 Ų48.737%0.37124%0.24SC..THydrogen-bonded Turntrans55.1-126.3-173.600000111.4I46 C111G44-I46 VanDerWaalsContact C-N 3.32Å; G44-C111 VanDerWaalsContact O-CB 3.23Å; G44-C111 WeakPolarHBondContact O-CB 3.42Å; G44-C111 PolarHBondContact O-SG 3.31Å
45N88.7Confident92.8Very high57 Ų5748.5 Ų48.531%0.30523%0.234SC..THydrogen-bonded Turntrans-90.515.2174.368-29.4000113.8C43 L64 D65C43-N45 PolarHBondContact O-N 3.28Å; N45-L64 WeakPolarHBondContact O-CB 3.37Å; N45-L64 PolarHBondContact O-N 3.25Å; N45-D65 PolarHBondContact ND2-OD1 3.05Å
46I90.7Very high92.4Very high9 Ų954.2 Ų54.25%0.04626%0.26CS..EExtended strand (participates in β ladder)trans-112.4119.9-175.9-58-176.2000109.9V9 F12 L13 C43 G44 I61 F63V9-I46 HydrophobicContact CG2-CD1 4.1Å; F12-I46 HydrophobicContact CD1-CD1 3.69Å; F12-I46 HydrophobicContact CE1-CD1 3.61Å; F12-I46 HydrophobicContact CE1-CG1 4.26Å; F12-I46 HydrophobicContact CG-CD1 4.47Å; F12-I46 HydrophobicContact CZ-CD1 4.32Å; L13-I46 HydrophobicContact CD2-CG2 4.25Å; C43-I46 PolarHBondContact N-O 3.09Å; C43-I46 WeakPolarHBondContact O-CA 3.09Å; C43-I46 WeakPolarHBondContact O-CB 3.15Å; C43-I46 PolarHBondContact O-N 3.17Å; G44-I46 VanDerWaalsContact C-N 3.32Å; I46-I61 HydrophobicContact CG2-CG2 3.68Å; I46-F63 HydrophobicContact CD1-CE1 4.1Å; I46-F63 HydrophobicContact CG1-CD1 4.16Å; I46-F63 HydrophobicContact CG1-CE1 4.12Å
47L93.7Very high92Very high0 Ų056.8 Ų56.80%027%0.274CS..EExtended strand (participates in β ladder)trans-109.2102.5170.4-178.266.4000109.5F40 L42 I62 L64 I79 L93 W104 I108F40-L47 HydrophobicContact CB-CD1 4.33Å; F40-L47 HydrophobicContact CD1-CD1 3.8Å; F40-L47 HydrophobicContact CD1-CD2 4.21Å; F40-L47 HydrophobicContact CD1-CG 3.92Å; F40-L47 HydrophobicContact CE1-CD2 4.36Å; F40-L47 HydrophobicContact CE1-CG 4.41Å; L42-L47 HydrophobicContact CB-CD1 4.08Å; L42-L47 HydrophobicContact CD1-CB 4.2Å; L42-L47 HydrophobicContact CD1-CD1 4.12Å; L47-I62 HydrophobicContact CB-CB 4.23Å; L47-I62 HydrophobicContact CD2-CD1 4.36Å; L47-I62 PolarHBondContact N-O 3.34Å; L47-I62 WeakPolarHBondContact O-CB 2.86Å; L47-I62 PolarHBondContact O-N 3.48Å; L47-L64 HydrophobicContact CB-CD1 3.93Å; L47-L64 HydrophobicContact CB-CD2 4.3Å; L47-L64 HydrophobicContact CB-CG 4.07Å; L47-L64 HydrophobicContact CD2-CD2 4.44Å; L47-I79 HydrophobicContact CD2-CD1 3.64Å; L47-L93 HydrophobicContact CD2-CD1 4.46Å; L47-W104 HydrophobicContact CD1-CZ3 3.96Å; L47-I108 HydrophobicContact CD2-CD1 4.23Å
48A93.2Very high91.8Very high0 Ų053.8 Ų53.80%026%0.264CS..EExtended strand (participates in β ladder)trans-97.1150.9177.500000111L13 F40 I41 F50 P58L13-A48 HydrophobicContact CD1-CB 3.54Å; L13-A48 HydrophobicContact CD2-CB 4.25Å; F40-A48 WeakPolarHBondContact CA-O 3.08Å; I41-A48 PolarHBondContact N-O 2.91Å; I41-A48 PolarHBondContact O-N 3.44Å; A48-F50 HydrophobicContact CB-CE2 3.95Å; A48-F50 HydrophobicContact CB-CZ 4.38Å; A48-P58 HydrophobicContact CB-CB 4.18Å
49Y94.7Very high91.6Very high27 Ų2756.1 Ų56.111%0.10628%0.278CS..EExtended strand (participates in β ladder)trans-136.6145.8174.163.9-89.8000113.1K26 R38 Y39 F40 P58 L59 G60 I62K26-Y49 HydrophobicContact CD-CD1 4.5Å; K26-Y49 HydrophobicContact CD-CE1 4.41Å; K26-Y49 HydrophobicContact CD-CE2 4.43Å; K26-Y49 PolarHBondContact NZ-OH 3.29Å; R38-Y49 HydrophobicContact CG-CD2 4.31Å; Y39-Y49 CarbonylContact O-C 3.54Å; Y39-Y49 WeakPolarHBondContact O-CA 3.02Å; F40-Y49 HydrophobicContact CE1-CD1 4.2Å; F40-Y49 HydrophobicContact CE1-CG 4.21Å; F40-Y49 HydrophobicContact CZ-CG 4.41Å; Y49-P58 CarbonylContact O-C 3.54Å; Y49-L59 HydrophobicContact CD2-CB 3.82Å; Y49-L59 HydrophobicContact CE2-CB 3.68Å; Y49-L59 WeakPolarHBondContact O-CB 3.38Å; Y49-L59 PolarHBondContact O-N 3.38Å; Y49-G60 VanDerWaalsContact CD1-O 3.24Å; Y49-G60 WeakPolarHBondContact CD1-O 3.36Å; Y49-G60 VanDerWaalsContact CE1-C 3.46Å; Y49-G60 WeakPolarHBondContact CE1-O 3.48Å; Y49-G60 VanDerWaalsContact CZ-CA 3.48Å; Y49-G60 PolarHBondContact N-O 3.02Å; Y49-G60 PolarHBondContact O-N 3.49Å; Y49-I62 HydrophobicContact CD1-CD1 4.33Å; Y49-I62 HydrophobicContact CE1-CD1 4.25Å; Y49-I62 HydrophobicContact CE1-CG1 4.26Å
50F95Very high91.4Very high13 Ų1356.2 Ų56.26%0.05728%0.283CS..EExtended strand (participates in β ladder)trans-126.5162.4-172.6-57.5-99.8000110.4L13 R38 Y39 I41 A48 K52 D55 E57 P58L13-F50 HydrophobicContact CD1-CZ 4.27Å; R38-F50 WeakPolarHBondContact CA-O 2.94Å; R38-F50 VanDerWaalsContact CD-O 3.28Å; R38-F50 WeakPolarHBondContact CD-O 3.42Å; Y39-F50 HydrophobicContact CD1-CD2 4.42Å; Y39-F50 PolarHBondContact N-O 3.05Å; Y39-F50 PolarHBondContact O-N 3.38Å; I41-F50 HydrophobicContact CB-CE2 4.26Å; I41-F50 HydrophobicContact CD1-CD2 4.11Å; I41-F50 HydrophobicContact CD1-CE2 3.49Å; I41-F50 VanDerWaalsContact CD1-CE2 3.49Å; I41-F50 HydrophobicContact CD1-CZ 4.07Å; I41-F50 HydrophobicContact CG1-CD2 4.23Å; I41-F50 HydrophobicContact CG1-CE2 3.82Å; A48-F50 HydrophobicContact CB-CE2 3.95Å; A48-F50 HydrophobicContact CB-CZ 4.38Å; F50-K52 VanDerWaalsContact CB-O 3.28Å; F50-K52 WeakPolarHBondContact CB-O 3.44Å; F50-D55 HydrophobicContact CB-CB 4.2Å; F50-D55 HydrophobicContact CD1-CB 3.93Å; F50-E57 WeakPolarHBondContact CD1-O 3.11Å; F50-P58 HydrophobicContact CD1-CB 4.3Å; F50-P58 VanDerWaalsContact CE1-CA 3.43Å; F50-P58 HydrophobicContact CE1-CB 3.81Å; F50-P58 HydrophobicContact CE1-CG 4.47Å; F50-P58 VanDerWaalsContact CE1-N 3.31Å; F50-P58 HydrophobicContact CE2-CB 4.31Å; F50-P58 HydrophobicContact CZ-CB 3.8Å
51D94Very high91.2Very high72 Ų7258.4 Ų58.439%0.38530%0.295SS..SBendtrans-72.8-44173.6-15548.1000109.5R38 D55 L59R38-D51 IonicContact CZ-OD1 3.02Å; R38-D51 IonicContact NH1-OD1 2.64Å; R38-D51 PolarHBondContact NH1-OD1 2.99Å; R38-D51 IonicContact NH2-OD1 2.96Å; R38-D51 PolarHBondContact NH2-OD1 3.18Å; D51-D55 WeakPolarHBondContact CA-OD2 3.23Å; D51-D55 VanDerWaalsContact CB-OD2 3.22Å; D51-D55 WeakPolarHBondContact CB-OD2 3.23Å; D51-D55 PolarHBondContact N-OD2 3.45Å; D51-L59 HydrophobicContact CB-CD1 3.76Å; D51-L59 HydrophobicContact CB-CG 4.36Å
52K93.2Very high91Very high133 Ų13357.9 Ų57.958%0.57829%0.292SS*.SBendtrans-132.2161.8179.5-54.6174.7-175.4175.70110.6F50 L54 D55F50-K52 VanDerWaalsContact CB-O 3.28Å; F50-K52 WeakPolarHBondContact CB-O 3.44Å; K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 PolarHBondContact O-N 3.4Å; K52-D55 PolarHBondContact N-OD2 2.85Å; K52-D55 PolarHBondContact O-N 3.15Å
53K90.8Very high90.8Very high132 Ų13261.8 Ų61.857%0.57431%0.309SS*.THydrogen-bonded Turntrans-60.6-29.3-178.1178.6170.5-178.7178.70114.4F23 Y39F23-K53 HydrophobicContact CZ-CB 4.46Å; Y39-K53 HydrophobicContact CD1-CB 4.34Å; Y39-K53 HydrophobicContact CD1-CG 4.39Å; Y39-K53 HydrophobicContact CD2-CB 3.98Å; Y39-K53 HydrophobicContact CD2-CG 4.25Å; Y39-K53 HydrophobicContact CE1-CB 4.41Å; Y39-K53 HydrophobicContact CE1-CG 3.97Å; Y39-K53 HydrophobicContact CE2-CB 4.05Å; Y39-K53 HydrophobicContact CE2-CD 3.87Å; Y39-K53 HydrophobicContact CE2-CG 3.81Å; Y39-K53 HydrophobicContact CG-CB 4.11Å; Y39-K53 WeakPolarHBondContact OH-CE 3.43Å
54L88.4Confident90.8Very high161 Ų16161.8 Ų61.884%0.84331%0.309SS*.THydrogen-bonded Turntrans-104.714-173.4-60.2175.7000113.1K52K52-L54 VanDerWaalsContact C-N 3.26Å; K52-L54 PolarHBondContact O-N 3.4Å
55D88.9Confident90.7Very high54 Ų5464.3 Ų64.329%0.28931%0.314SS..  trans-71.6137178.6-68.7-13.9000110.1F50 D51 K52F50-D55 HydrophobicContact CB-CB 4.2Å; F50-D55 HydrophobicContact CD1-CB 3.93Å; D51-D55 WeakPolarHBondContact CA-OD2 3.23Å; D51-D55 VanDerWaalsContact CB-OD2 3.22Å; D51-D55 WeakPolarHBondContact CB-OD2 3.23Å; D51-D55 PolarHBondContact N-OD2 3.45Å; K52-D55 PolarHBondContact N-OD2 2.85Å; K52-D55 PolarHBondContact O-N 3.15Å
56K84.4Confident90.5Very high189 Ų18964.1 Ų64.182%0.82232%0.316SS*.SBendtrans-75-27.4-178.2-65.1-175.3178.7-175.90113.3T10T10-K56 WeakPolarHBondContact CG2-O 3.07Å
57E86.6Confident90.4Very high152 Ų15264.2 Ų64.271%0.7132%0.317SS*.SBendtrans-123.2134.1-174.1-65.5-171.616500110.6F50 L59F50-E57 WeakPolarHBondContact CD1-O 3.11Å; E57-L59 PolarHBondContact O-N 3.1Å
58P92Very high90.2Very high25 Ų2566.6 Ų66.616%0.16233%0.329CS..  trans-68.3134.3176.528-33000110.1A48 Y49 F50 G60 I61A48-P58 HydrophobicContact CB-CB 4.18Å; Y49-P58 CarbonylContact O-C 3.54Å; F50-P58 HydrophobicContact CD1-CB 4.3Å; F50-P58 VanDerWaalsContact CE1-CA 3.43Å; F50-P58 HydrophobicContact CE1-CB 3.81Å; F50-P58 HydrophobicContact CE1-CG 4.47Å; F50-P58 VanDerWaalsContact CE1-N 3.31Å; F50-P58 HydrophobicContact CE2-CB 4.31Å; F50-P58 HydrophobicContact CZ-CB 3.8Å; P58-G60 PolarHBondContact O-N 2.94Å; P58-I61 HydrophobicContact CB-CG1 4.12Å; P58-I61 HydrophobicContact CG-CD1 3.93Å; P58-I61 HydrophobicContact CG-CG1 3.85Å
59L92.3Very high90.1Very high89 Ų8967 Ų6747%0.46633%0.331SS..SBendtrans-63.4-26.4170.1-72.2-178.9000112Y49 D51 E57Y49-L59 HydrophobicContact CD2-CB 3.82Å; Y49-L59 HydrophobicContact CE2-CB 3.68Å; Y49-L59 WeakPolarHBondContact O-CB 3.38Å; Y49-L59 PolarHBondContact O-N 3.38Å; D51-L59 HydrophobicContact CB-CD1 3.76Å; D51-L59 HydrophobicContact CB-CG 4.36Å; E57-L59 PolarHBondContact O-N 3.1Å
60G91.5Very high90Very high15 Ų1567.7 Ų67.716%0.15534%0.336CS..EExtended strand (participates in β ladder)trans-171.9161.4170.300000112Y49 P58Y49-G60 VanDerWaalsContact CD1-O 3.24Å; Y49-G60 WeakPolarHBondContact CD1-O 3.36Å; Y49-G60 VanDerWaalsContact CE1-C 3.46Å; Y49-G60 WeakPolarHBondContact CE1-O 3.48Å; Y49-G60 VanDerWaalsContact CZ-CA 3.48Å; Y49-G60 PolarHBondContact N-O 3.02Å; Y49-G60 PolarHBondContact O-N 3.49Å; P58-G60 PolarHBondContact O-N 2.94Å
61I91.8Very high89.9Confident47 Ų4768.9 Ų68.924%0.24134%0.342CS..EExtended strand (participates in β ladder)trans-125.8135.3-175.3-59.5155.4000107.1V9 I46 P58 F63V9-I61 HydrophobicContact CB-CD1 3.76Å; V9-I61 HydrophobicContact CG1-CD1 3.39Å; V9-I61 HydrophobicContact CG1-CG1 3.85Å; V9-I61 HydrophobicContact CG1-CG2 4.38Å; V9-I61 HydrophobicContact CG2-CD1 3.96Å; V9-I61 HydrophobicContact CG2-CG2 4.32Å; I46-I61 HydrophobicContact CG2-CG2 3.68Å; P58-I61 HydrophobicContact CB-CG1 4.12Å; P58-I61 HydrophobicContact CG-CD1 3.93Å; P58-I61 HydrophobicContact CG-CG1 3.85Å; I61-F63 HydrophobicContact CG2-CE1 4.44Å; I61-F63 HydrophobicContact CG2-CE2 4.21Å; I61-F63 HydrophobicContact CG2-CZ 4.11Å
62I91.1Very high89.8Confident4 Ų469.2 Ų69.22%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-120115.5177.3-56.7171.1000106.5L47 Y49 L64 F81 Y91L47-I62 HydrophobicContact CB-CB 4.23Å; L47-I62 HydrophobicContact CD2-CD1 4.36Å; L47-I62 PolarHBondContact N-O 3.34Å; L47-I62 WeakPolarHBondContact O-CB 2.86Å; L47-I62 PolarHBondContact O-N 3.48Å; Y49-I62 HydrophobicContact CD1-CD1 4.33Å; Y49-I62 HydrophobicContact CE1-CD1 4.25Å; Y49-I62 HydrophobicContact CE1-CG1 4.26Å; I62-L64 HydrophobicContact CG2-CD2 4.17Å; I62-F81 HydrophobicContact CG2-CE1 4.24Å; I62-F81 HydrophobicContact CG2-CE2 4.42Å; I62-F81 HydrophobicContact CG2-CZ 3.51Å; I62-Y91 HydrophobicContact CB-CE2 4.4Å; I62-Y91 HydrophobicContact CD1-CD1 3.96Å; I62-Y91 HydrophobicContact CD1-CD2 3.85Å; I62-Y91 HydrophobicContact CD1-CE1 3.92Å; I62-Y91 HydrophobicContact CD1-CE2 3.81Å; I62-Y91 HydrophobicContact CD1-CG 3.91Å; I62-Y91 HydrophobicContact CG1-CD2 4.42Å; I62-Y91 HydrophobicContact CG1-CE1 4.26Å; I62-Y91 HydrophobicContact CG1-CE2 3.9Å; I62-Y91 HydrophobicContact CG2-CD2 4.1Å; I62-Y91 HydrophobicContact CG2-CE2 3.64Å
63F88.9Confident89.8Confident83 Ų8366.2 Ų66.236%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-80.4122.4170.5-64.9-76.8000108.3F4 V9 I46 I61 D65 F81F4-F63 HydrophobicContact CD2-CZ 4.22Å; F4-F63 HydrophobicContact CG-CZ 4.26Å; V9-F63 HydrophobicContact CG2-CZ 4.33Å; I46-F63 HydrophobicContact CD1-CE1 4.1Å; I46-F63 HydrophobicContact CG1-CD1 4.16Å; I46-F63 HydrophobicContact CG1-CE1 4.12Å; I61-F63 HydrophobicContact CG2-CE1 4.44Å; I61-F63 HydrophobicContact CG2-CE2 4.21Å; I61-F63 HydrophobicContact CG2-CZ 4.11Å; F63-D65 PolarHBondContact O-N 2.82Å; F63-F81 WeakPolarHBondContact O-CE1 3.17Å
64L90.2Very high89.8Confident0 Ų065 Ų650%033%0.333CS..  trans-86.635.6-178.4-64.1176.1000111.5L42 N45 L47 I62 H67 I79 I108 C111L42-L64 HydrophobicContact CD1-CD1 3.47Å; L42-L64 VanDerWaalsContact CD1-CD1 3.47Å; N45-L64 WeakPolarHBondContact O-CB 3.37Å; N45-L64 PolarHBondContact O-N 3.25Å; L47-L64 HydrophobicContact CB-CD1 3.93Å; L47-L64 HydrophobicContact CB-CD2 4.3Å; L47-L64 HydrophobicContact CB-CG 4.07Å; L47-L64 HydrophobicContact CD2-CD2 4.44Å; I62-L64 HydrophobicContact CG2-CD2 4.17Å; L64-H67 HydrophobicContact CD2-CB 4.4Å; L64-H67 PolarHBondContact O-ND1 2.83Å; L64-I79 HydrophobicContact CD2-CD1 4.37Å; L64-I79 HydrophobicContact CD2-CG2 4.04Å; L64-I108 HydrophobicContact CD1-CG1 4.49Å; L64-I108 HydrophobicContact CD1-CG2 3.93Å; L64-I108 HydrophobicContact CD2-CG2 4.08Å; L64-C111 HydrophobicContact CD1-CB 4.03Å
65D84.9Confident90.1Very high89 Ų8960 Ų6048%0.47631%0.307SS..THydrogen-bonded Turntrans-77.1129.8174.8-67.1-12.1000109.3N45 F63 H67N45-D65 PolarHBondContact ND2-OD1 3.05Å; F63-D65 PolarHBondContact O-N 2.82Å; D65-H67 PolarHBondContact O-N 2.83Å; D65-H67 VanDerWaalsContact O-N 3.14Å
66C84Confident90.4Very high52 Ų5260.2 Ų60.235%0.35131%0.305SS..THydrogen-bonded Turntrans5138.1179.3-56.10000113.5R82C66-R82 PolarHBondContact O-N 3.31Å
67H89.5Confident90.9Very high11 Ų1151.2 Ų51.25%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-85.1157.2-179.177.1-84.8000111.5L64 D65 I79 R80 F81 I108 S112L64-H67 HydrophobicContact CD2-CB 4.4Å; L64-H67 PolarHBondContact O-ND1 2.83Å; D65-H67 PolarHBondContact O-N 2.83Å; D65-H67 VanDerWaalsContact O-N 3.14Å; H67-I79 HydrophobicContact CB-CG2 4.1Å; H67-R80 CarbonylContact C-O 3.51Å; H67-R80 VanDerWaalsContact CA-O 3.26Å; H67-R80 WeakPolarHBondContact CA-O 3.44Å; H67-F81 HydrophobicContact CB-CD1 3.97Å; H67-F81 HydrophobicContact CB-CE1 3.83Å; H67-I108 PolarHBondContact CE1-O 2.86Å; H67-I108 WeakPolarHBondContact NE2-CG2 3.19Å; H67-I108 PolarHBondContact NE2-O 2.87Å; H67-S112 PolarHBondContact CE1-N 3.34Å
68I88.4Confident91.2Very high50 Ų5044 Ų4426%0.25623%0.232SC..EExtended strand (participates in β ladder)trans-127.8127.1172.7-55.5174000106.7E70 I79 R80I68-E70 HydrophobicContact CG2-CG 4.18Å; I68-I79 WeakPolarHBondContact O-CA 3.43Å; I68-R80 PolarHBondContact N-O 3.14Å; I68-R80 PolarHBondContact O-N 2.94Å
69V92Very high91.3Very high8 Ų842.8 Ų42.85%0.04823%0.225CC..EExtended strand (participates in β ladder)trans-97.6125.3173.5-166.70000108.8A78 M105 I108 W225V69-A78 CarbonylContact C-O 3.53Å; V69-A78 WeakPolarHBondContact CA-O 3.45Å; V69-M105 HydrophobicContact CG1-CB 4Å; V69-M105 HydrophobicContact CG1-CE 3.63Å; V69-M105 HydrophobicContact CG1-CG 3.79Å; V69-I108 HydrophobicContact CG2-CB 4.04Å; V69-I108 HydrophobicContact CG2-CG2 3.4Å; V69-I108 VanDerWaalsContact CG2-CG2 3.4Å; V69-W225 HydrophobicContact CB-CH2 4.07Å; V69-W225 HydrophobicContact CG1-CH2 4.41Å; V69-W225 WeakPolarHBondContact O-CH2 3.42Å; V69-W225 WeakPolarHBondContact O-CZ2 3.4Å
70E92.2Very high91.2Very high43 Ų4342 Ų4220%0.20122%0.216CC..EExtended strand (participates in β ladder)trans-120.9136.5177.7-69.2178.7-171.800110.6I68 M77 A78 R80 M105I68-E70 HydrophobicContact CG2-CG 4.18Å; E70-M77 CarbonylContact O-C 3.56Å; E70-M77 WeakPolarHBondContact O-CA 3.22Å; E70-A78 HydrophobicContact CB-CB 4.43Å; E70-A78 PolarHBondContact N-O 2.66Å; E70-A78 PolarHBondContact O-N 2.87Å; E70-R80 IonicContact OE1-NE 3.21Å; E70-R80 PolarHBondContact OE1-NE 3.26Å; E70-R80 IonicContact OE2-CZ 3.2Å; E70-R80 IonicContact OE2-NE 2.74Å; E70-R80 PolarHBondContact OE2-NE 3.43Å; E70-R80 IonicContact OE2-NH2 2.77Å; E70-R80 PolarHBondContact OE2-NH2 2.96Å; E70-M105 VanDerWaalsContact C-CE 3.4Å
71M93.1Very high91Very high37 Ų3743.3 Ų43.318%0.18222%0.217CC..EExtended strand (participates in β ladder)trans-76.1129.7166.4-166.3-172.2-59.900108.8D73 M105 W225 E226M71-D73 WeakPolarHBondContact CG-O 3.47Å; M71-M105 HydrophobicContact CB-CE 3.82Å; M71-M105 HydrophobicContact CB-SD 4.37Å; M71-W225 HydrophobicContact CE-CG 4.36Å; M71-E226 HydrophobicContact CE-CG 4.19Å
72L92.1Very high90.3Very high80 Ų8046.4 Ų46.442%0.41923%0.226SC..EExtended strand (participates in β ladder)trans-102.2-33.3171.5-65.3-176.7000112.1K76 A78 I92L72-K76 HydrophobicContact CB-CB 4.13Å; L72-K76 PolarHBondContact N-O 3.49Å; L72-A78 HydrophobicContact CD1-CB 3.82Å; L72-A78 HydrophobicContact CD2-CB 4.19Å; L72-A78 HydrophobicContact CG-CB 3.89Å; L72-I92 HydrophobicContact CD1-CD1 4.02Å; L72-I92 HydrophobicContact CD1-CG1 3.94Å; L72-I92 HydrophobicContact CD1-CG2 3.95Å
73D92Very high89.4Confident70 Ų7048 Ų4837%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-163.2165.3-174.7-162.31.5000107.7M71 L75 K76M71-D73 WeakPolarHBondContact CG-O 3.47Å; D73-L75 PolarHBondContact O-N 2.86Å; D73-K76 HydrophobicContact CB-CB 3.82Å; D73-K76 HydrophobicContact CB-CD 4.13Å; D73-K76 HydrophobicContact CB-CG 3.9Å; D73-K76 PolarHBondContact N-O 3.47Å; D73-K76 PolarHBondContact O-N 2.98Å; D73-K76 IonicContact OD2-NZ 2.68Å; D73-K76 PolarHBondContact OD2-NZ 2.92Å
74D92.5Very high88Confident106 Ų10651.2 Ų51.257%0.56727%0.272SS*.THydrogen-bonded Turntrans-57.1-28.3-178.1-61.5-10.4000112.3A98D74-A98 HydrophobicContact CB-CB 4.46Å; D74-A98 WeakPolarHBondContact O-CA 3.5Å
75L94.8Very high86.6Confident57 Ų5753.6 Ų53.630%0.29830%0.296SS..THydrogen-bonded Turntrans-1096.2179.2-58.4179.4000113.2D73 K94 G95 T97 A98 I101D73-L75 PolarHBondContact O-N 2.86Å; L75-K94 HydrophobicContact CB-CG 4.48Å; L75-K94 CarbonylContact O-C 3.6Å; L75-K94 WeakPolarHBondContact O-CA 3.32Å; L75-K94 VanDerWaalsContact O-CG 3.22Å; L75-K94 WeakPolarHBondContact O-CG 3.31Å; L75-G95 PolarHBondContact O-N 3.43Å; L75-T97 VanDerWaalsContact CD2-C 3.4Å; L75-A98 HydrophobicContact CD2-CB 4.38Å; L75-I101 WeakPolarHBondContact O-CG1 3.46Å
76K94.6Very high85.1Confident57 Ų5758.7 Ų58.725%0.24832%0.317CS..EExtended strand (participates in β ladder)trans-135.6133-174.1-52.8-175.9-166.21050112.7L72 D73 L93 K94L72-K76 HydrophobicContact CB-CB 4.13Å; L72-K76 PolarHBondContact N-O 3.49Å; D73-K76 HydrophobicContact CB-CB 3.82Å; D73-K76 HydrophobicContact CB-CD 4.13Å; D73-K76 HydrophobicContact CB-CG 3.9Å; D73-K76 PolarHBondContact N-O 3.47Å; D73-K76 PolarHBondContact O-N 2.98Å; D73-K76 IonicContact OD2-NZ 2.68Å; D73-K76 PolarHBondContact OD2-NZ 2.92Å; K76-L93 WeakPolarHBondContact CA-O 3.37Å; K76-K94 HydrophobicContact CG-CB 4.18Å; K76-K94 HydrophobicContact CG-CG 4.21Å
77M94.5Very high83.8Confident0 Ų064.3 Ų64.30%034%0.343CS..EExtended strand (participates in β ladder)trans-122.1152.8171.767.1-175.2-165.200111.3L24 E70 I92 L93 I101 W104 M105 I108L24-M77 HydrophobicContact CD1-CE 3.91Å; E70-M77 CarbonylContact O-C 3.56Å; E70-M77 WeakPolarHBondContact O-CA 3.22Å; M77-I92 WeakPolarHBondContact O-CA 3.41Å; M77-L93 HydrophobicContact CE-CB 3.79Å; M77-L93 HydrophobicContact CE-CD1 3.49Å; M77-L93 VanDerWaalsContact CE-CD1 3.49Å; M77-L93 HydrophobicContact CE-CG 4.17Å; M77-L93 HydrophobicContact CG-CB 3.98Å; M77-L93 PolarHBondContact N-O 3.12Å; M77-L93 PolarHBondContact O-N 3.07Å; M77-I101 HydrophobicContact CB-CG2 4.25Å; M77-I101 HydrophobicContact CG-CD1 4.27Å; M77-I101 HydrophobicContact SD-CD1 4.3Å; M77-W104 HydrophobicContact CE-CB 3.84Å; M77-W104 HydrophobicContact CE-CG 4.43Å; M77-W104 HydrophobicContact SD-CB 3.9Å; M77-M105 HydrophobicContact CB-CE 3.95Å; M77-M105 HydrophobicContact CB-CG 3.71Å; M77-M105 HydrophobicContact CB-SD 3.82Å; M77-M105 HydrophobicContact CG-CG 4.22Å; M77-M105 HydrophobicContact SD-CB 4.49Å; M77-M105 HydrophobicContact SD-CG 3.44Å; M77-M105 WeakPolarHBondContact SD-CG 3.38Å; M77-I108 HydrophobicContact CE-CD1 3.54Å; M77-I108 HydrophobicContact SD-CD1 4.39Å
78A93.6Very high82.9Confident0 Ų066 Ų660%036%0.357CS..EExtended strand (participates in β ladder)trans-116.3135.9169.700000110.2V69 E70 L72 Y91 I92V69-A78 CarbonylContact C-O 3.53Å; V69-A78 WeakPolarHBondContact CA-O 3.45Å; E70-A78 HydrophobicContact CB-CB 4.43Å; E70-A78 PolarHBondContact N-O 2.66Å; E70-A78 PolarHBondContact O-N 2.87Å; L72-A78 HydrophobicContact CD1-CB 3.82Å; L72-A78 HydrophobicContact CD2-CB 4.19Å; L72-A78 HydrophobicContact CG-CB 3.89Å; A78-Y91 CarbonylContact C-O 3.47Å; A78-Y91 WeakPolarHBondContact CA-O 3.4Å; A78-I92 HydrophobicContact CB-CG1 4.37Å
79I93.3Very high82.6Confident0 Ų071.2 Ų71.20%037%0.373CS..EExtended strand (participates in β ladder)trans-103.9117.9166.6-52.1171.7000106.5L47 L64 H67 I68 F81 S90 Y91 L93 I108L47-I79 HydrophobicContact CD2-CD1 3.64Å; L64-I79 HydrophobicContact CD2-CD1 4.37Å; L64-I79 HydrophobicContact CD2-CG2 4.04Å; H67-I79 HydrophobicContact CB-CG2 4.1Å; I68-I79 WeakPolarHBondContact O-CA 3.43Å; I79-F81 HydrophobicContact CG2-CE1 4.3Å; I79-F81 HydrophobicContact CG2-CE2 4.19Å; I79-F81 HydrophobicContact CG2-CZ 3.75Å; I79-S90 CarbonylContact O-C 3.59Å; I79-S90 WeakPolarHBondContact O-CA 3.32Å; I79-Y91 PolarHBondContact N-O 3.46Å; I79-Y91 PolarHBondContact O-N 3.09Å; I79-L93 HydrophobicContact CD1-CD1 3.93Å; I79-I108 HydrophobicContact CD1-CD1 3.9Å; I79-I108 HydrophobicContact CD1-CG2 4.5Å
80R89.9Confident82.4Confident74 Ų7471.8 Ų71.828%0.27938%0.377SS..EExtended strand (participates in β ladder)trans-112.1156.9173.5-55.9-170-159.5-81-4.9109.2H67 I68 E70H67-R80 CarbonylContact C-O 3.51Å; H67-R80 VanDerWaalsContact CA-O 3.26Å; H67-R80 WeakPolarHBondContact CA-O 3.44Å; I68-R80 PolarHBondContact N-O 3.14Å; I68-R80 PolarHBondContact O-N 2.94Å; E70-R80 IonicContact OE1-NE 3.21Å; E70-R80 PolarHBondContact OE1-NE 3.26Å; E70-R80 IonicContact OE2-CZ 3.2Å; E70-R80 IonicContact OE2-NE 2.74Å; E70-R80 PolarHBondContact OE2-NE 3.43Å; E70-R80 IonicContact OE2-NH2 2.77Å; E70-R80 PolarHBondContact OE2-NH2 2.96Å
81F87.5Confident82.4Confident41 Ų4170.7 Ų70.718%0.1837%0.371CS..EExtended strand (participates in β ladder)trans-116.6138.1174.8-57.5-86.3000108.6I62 F63 H67 I79 G83 S88 R89 Y91I62-F81 HydrophobicContact CG2-CE1 4.24Å; I62-F81 HydrophobicContact CG2-CE2 4.42Å; I62-F81 HydrophobicContact CG2-CZ 3.51Å; F63-F81 WeakPolarHBondContact O-CE1 3.17Å; H67-F81 HydrophobicContact CB-CD1 3.97Å; H67-F81 HydrophobicContact CB-CE1 3.83Å; I79-F81 HydrophobicContact CG2-CE1 4.3Å; I79-F81 HydrophobicContact CG2-CE2 4.19Å; I79-F81 HydrophobicContact CG2-CZ 3.75Å; F81-G83 PolarHBondContact O-N 3.46Å; F81-S88 WeakPolarHBondContact O-CB 3.28Å; F81-R89 WeakPolarHBondContact CD2-O 3.26Å; F81-R89 WeakPolarHBondContact CE2-O 3.44Å; F81-Y91 AromaticContact CE2-CD2 3.56Å; F81-Y91 HydrophobicContact CE2-CD2 3.56Å; F81-Y91 AromaticContact CE2-CE2 3.41Å; F81-Y91 HydrophobicContact CE2-CE2 3.41Å; F81-Y91 VanDerWaalsContact CE2-CE2 3.41Å; F81-Y91 AromaticContact CZ-CD2 4Å; F81-Y91 HydrophobicContact CZ-CD2 4Å; F81-Y91 AromaticContact CZ-CE2 3.81Å; F81-Y91 HydrophobicContact CZ-CE2 3.81Å
82R77.8Confident82.5Confident113 Ų11369.8 Ų69.843%0.42637%0.367SS..  trans-75.7115.6172.2-168.2176.5-66.1115.65.7108.1C66 E114C66-R82 PolarHBondContact O-N 3.31Å; R82-E114 IonicContact NH1-OE1 3.12Å; R82-E114 PolarHBondContact NH1-OE1 2.94Å; R82-E114 VanDerWaalsContact NH1-OE1 3.12Å
83G70.6Confident82.7Confident37 Ų3766 Ų6638%0.38135%0.347SS..  trans-148.7151.5176.300000111.1F81 G85F81-G83 PolarHBondContact O-N 3.46Å; G83-G85 PolarHBondContact O-N 3.27Å
84P61.3Low82.8Confident151 Ų15166.1 Ų66.198%0.98135%0.345SS*.SBendtrans-69.3100.5173.826.9-30.3000109.2
85G59.5Low83Confident49 Ų4961.2 Ų61.251%0.50532%0.318SS..SBendtrans134.2149.1171.800000114.9G83 L87 S88G83-G85 PolarHBondContact O-N 3.27Å; G85-L87 PolarHBondContact O-N 3.17Å; G85-S88 PolarHBondContact O-N 3.2Å; G85-S88 PolarHBondContact O-OG 3.32Å
86E53.5Low83Confident196 Ų19665.6 Ų65.692%0.91634%0.338SS*.THydrogen-bonded Turntrans-57.8-7.7177.2-158.270.2-145.800114
87L57.9Low83Confident170 Ų17066.2 Ų66.289%0.8935%0.346SS*.THydrogen-bonded Turntrans-99.116.3-173.9-61.5174.2000113.6G85 R89G85-L87 PolarHBondContact O-N 3.17Å; L87-R89 PolarHBondContact O-N 3.04Å; L87-R89 VanDerWaalsContact O-N 3.1Å
88S69.9Low83Confident48 Ų4867.9 Ų67.934%0.33636%0.36SS..  trans-65.1113.2178.3-66.20000110.3F81 G85 S90F81-S88 WeakPolarHBondContact O-CB 3.28Å; G85-S88 PolarHBondContact O-N 3.2Å; G85-S88 PolarHBondContact O-OG 3.32Å; S88-S90 PolarHBondContact O-N 2.85Å; S88-S90 VanDerWaalsContact O-N 3.15Å
89R81.7Confident83.1Confident159 Ų15974.5 Ų74.560%0.639%0.391SS*.  trans-59.4115.9-174.2-176.2175.2-169.3-170.58.9111.1F81 L87 Y91F81-R89 WeakPolarHBondContact CD2-O 3.26Å; F81-R89 WeakPolarHBondContact CE2-O 3.44Å; L87-R89 PolarHBondContact O-N 3.04Å; L87-R89 VanDerWaalsContact O-N 3.1Å; R89-Y91 VanDerWaalsContact CD-OH 3.29Å; R89-Y91 WeakPolarHBondContact CD-OH 3.31Å; R89-Y91 HydrophobicContact CG-CE1 4.32Å; R89-Y91 HydrophobicContact CG-CE2 4.33Å; R89-Y91 PolarHBondContact NE-OH 3.22Å; R89-Y91 PolarHBondContact NH1-OH 3.42Å
90S88.5Confident83.1Confident20 Ų2076.1 Ų76.114%0.1440%0.399CS..  trans-92.5148.3173.173.10000111.6E30 I79 S88E30-S90 PolarHBondContact OE1-OG 3.36Å; E30-S90 PolarHBondContact OE2-OG 2.73Å; I79-S90 CarbonylContact O-C 3.59Å; I79-S90 WeakPolarHBondContact O-CA 3.32Å; S88-S90 PolarHBondContact O-N 2.85Å; S88-S90 VanDerWaalsContact O-N 3.15Å
91Y92.4Very high83.4Confident20 Ų2072.6 Ų72.68%0.07839%0.386CS..EExtended strand (participates in β ladder)trans-120.5118.9169.9-59.2-79.2000110.1I62 A78 I79 F81 R89I62-Y91 HydrophobicContact CB-CE2 4.4Å; I62-Y91 HydrophobicContact CD1-CD1 3.96Å; I62-Y91 HydrophobicContact CD1-CD2 3.85Å; I62-Y91 HydrophobicContact CD1-CE1 3.92Å; I62-Y91 HydrophobicContact CD1-CE2 3.81Å; I62-Y91 HydrophobicContact CD1-CG 3.91Å; I62-Y91 HydrophobicContact CG1-CD2 4.42Å; I62-Y91 HydrophobicContact CG1-CE1 4.26Å; I62-Y91 HydrophobicContact CG1-CE2 3.9Å; I62-Y91 HydrophobicContact CG2-CD2 4.1Å; I62-Y91 HydrophobicContact CG2-CE2 3.64Å; A78-Y91 CarbonylContact C-O 3.47Å; A78-Y91 WeakPolarHBondContact CA-O 3.4Å; I79-Y91 PolarHBondContact N-O 3.46Å; I79-Y91 PolarHBondContact O-N 3.09Å; F81-Y91 AromaticContact CE2-CD2 3.56Å; F81-Y91 HydrophobicContact CE2-CD2 3.56Å; F81-Y91 AromaticContact CE2-CE2 3.41Å; F81-Y91 HydrophobicContact CE2-CE2 3.41Å; F81-Y91 VanDerWaalsContact CE2-CE2 3.41Å; F81-Y91 AromaticContact CZ-CD2 4Å; F81-Y91 HydrophobicContact CZ-CD2 4Å; F81-Y91 AromaticContact CZ-CE2 3.81Å; F81-Y91 HydrophobicContact CZ-CE2 3.81Å; R89-Y91 VanDerWaalsContact CD-OH 3.29Å; R89-Y91 WeakPolarHBondContact CD-OH 3.31Å; R89-Y91 HydrophobicContact CG-CE1 4.32Å; R89-Y91 HydrophobicContact CG-CE2 4.33Å; R89-Y91 PolarHBondContact NE-OH 3.22Å; R89-Y91 PolarHBondContact NH1-OH 3.42Å
92I94.4Very high83.8Confident17 Ų1773.8 Ų73.89%0.08739%0.392CS..EExtended strand (participates in β ladder)trans-98.5121.5174.5-61.2172.8000108.7K27 Y35 L72 M77 A78K27-I92 HydrophobicContact CB-CB 3.97Å; K27-I92 HydrophobicContact CB-CG2 4.47Å; K27-I92 WeakPolarHBondContact CB-O 3.47Å; K27-I92 HydrophobicContact CD-CB 3.98Å; K27-I92 HydrophobicContact CD-CD1 3.82Å; K27-I92 HydrophobicContact CD-CG1 4.41Å; K27-I92 HydrophobicContact CD-CG2 4.32Å; K27-I92 PolarHBondContact N-O 2.93Å; Y35-I92 HydrophobicContact CE1-CG2 4.25Å; L72-I92 HydrophobicContact CD1-CD1 4.02Å; L72-I92 HydrophobicContact CD1-CG1 3.94Å; L72-I92 HydrophobicContact CD1-CG2 3.95Å; M77-I92 WeakPolarHBondContact O-CA 3.41Å; A78-I92 HydrophobicContact CB-CG1 4.37Å
93L96Very high84.6Confident0 Ų071 Ų710%039%0.386CS..EExtended strand (participates in β ladder)trans-118.3141.5-179.4-58-176000109.6L24 W25 K26 F40 L47 K76 M77 I79L24-L93 HydrophobicContact CD1-CB 4.34Å; L24-L93 HydrophobicContact CD1-CD1 4.02Å; W25-L93 CarbonylContact O-C 3.59Å; W25-L93 WeakPolarHBondContact O-CA 3.33Å; K26-L93 HydrophobicContact CB-CD2 3.77Å; K26-L93 HydrophobicContact CD-CD2 4.29Å; K26-L93 HydrophobicContact CG-CD2 3.82Å; F40-L93 HydrophobicContact CE1-CD1 4Å; F40-L93 HydrophobicContact CE1-CD2 4.15Å; F40-L93 HydrophobicContact CE2-CD2 4.28Å; F40-L93 HydrophobicContact CZ-CD1 4.09Å; F40-L93 HydrophobicContact CZ-CD2 3.53Å; F40-L93 HydrophobicContact CZ-CG 4.5Å; L47-L93 HydrophobicContact CD2-CD1 4.46Å; K76-L93 WeakPolarHBondContact CA-O 3.37Å; M77-L93 HydrophobicContact CE-CB 3.79Å; M77-L93 HydrophobicContact CE-CD1 3.49Å; M77-L93 VanDerWaalsContact CE-CD1 3.49Å; M77-L93 HydrophobicContact CE-CG 4.17Å; M77-L93 HydrophobicContact CG-CB 3.98Å; M77-L93 PolarHBondContact N-O 3.12Å; M77-L93 PolarHBondContact O-N 3.07Å; I79-L93 HydrophobicContact CD1-CD1 3.93Å
94K95.6Very high85.8Confident74 Ų7469.2 Ų69.232%0.32237%0.368SS..EExtended strand (participates in β ladder)trans-125135178172.8-169.4-178.3-173.10110W25 Y35 L75 K76W25-K94 HydrophobicContact CB-CB 3.96Å; W25-K94 WeakPolarHBondContact CB-O 3.32Å; W25-K94 PolarHBondContact N-O 3.49Å; W25-K94 PolarHBondContact O-N 3.41Å; Y35-K94 HydrophobicContact CD1-CB 4.35Å; Y35-K94 HydrophobicContact CE1-CB 4.13Å; L75-K94 HydrophobicContact CB-CG 4.48Å; L75-K94 CarbonylContact O-C 3.6Å; L75-K94 WeakPolarHBondContact O-CA 3.32Å; L75-K94 VanDerWaalsContact O-CG 3.22Å; L75-K94 WeakPolarHBondContact O-CG 3.31Å; K76-K94 HydrophobicContact CG-CB 4.18Å; K76-K94 HydrophobicContact CG-CG 4.21Å
95G95.3Very high87.4Confident2 Ų262 Ų622%0.02132%0.321CS..  trans-100.8-179.9178.500000112.5L75 I101L75-G95 PolarHBondContact O-N 3.43Å; G95-I101 VanDerWaalsContact CA-CD1 3.5Å
96E94.3Very high88.9Confident150 Ų15063.7 Ų63.770%0.70131%0.312SS*.SBendtrans-87-39.6177.6-172.1159.6-171.800111.7
97T95.7Very high90.8Very high70 Ų7054.5 Ų54.543%0.42927%0.269SS..SBendtrans-125.8160.9176.663.80000110.5L75 E99 D100 I101L75-T97 VanDerWaalsContact CD2-C 3.4Å; T97-E99 VanDerWaalsContact C-N 3.35Å; T97-D100 PolarHBondContact O-N 3.47Å; T97-D100 WeakPolarHBondContact OG1-CB 3.45Å; T97-D100 PolarHBondContact OG1-N 2.98Å; T97-D100 VanDerWaalsContact OG1-N 3.15Å; T97-I101 PolarHBondContact O-N 2.91Å
98A94.7Very high92.5Very high35 Ų3546.4 Ų46.429%0.28923%0.227SC..Hα-helixtrans-64.3-42.7175.500000111.1D74 L75 D100 I101 E102D74-A98 HydrophobicContact CB-CB 4.46Å; D74-A98 WeakPolarHBondContact O-CA 3.5Å; L75-A98 HydrophobicContact CD2-CB 4.38Å; A98-D100 VanDerWaalsContact C-N 3.32Å; A98-D100 PolarHBondContact O-N 3.08Å; A98-I101 PolarHBondContact O-N 2.92Å; A98-I101 VanDerWaalsContact O-N 3.14Å; A98-E102 WeakPolarHBondContact O-CG 3.43Å; A98-E102 PolarHBondContact O-N 2.91Å
99E94.8Very high93.5Very high138 Ų13845.4 Ų45.465%0.64522%0.22SC*.Hα-helixtrans-55.9-43.4175.1-174.6179.1-166.100112.3T97 I101 E102 D103T97-E99 VanDerWaalsContact C-N 3.35Å; E99-I101 PolarHBondContact O-N 3.34Å; E99-E102 PolarHBondContact O-N 3.26Å; E99-D103 WeakPolarHBondContact O-CB 3.39Å; E99-D103 VanDerWaalsContact O-CG 3.3Å; E99-D103 PolarHBondContact O-N 3.15Å
100D94.8Very high93.7Very high34 Ų3441.7 Ų41.718%0.18221%0.206CC..Hα-helixtrans-65.2-42.1178.4-175.641.2000111.5K20 T97 A98 D103 W104K20-D100 IonicContact NZ-OD1 3.79Å; K20-D100 PolarHBondContact NZ-OD1 3.06Å; T97-D100 PolarHBondContact O-N 3.47Å; T97-D100 WeakPolarHBondContact OG1-CB 3.45Å; T97-D100 PolarHBondContact OG1-N 2.98Å; T97-D100 VanDerWaalsContact OG1-N 3.15Å; A98-D100 VanDerWaalsContact C-N 3.32Å; A98-D100 PolarHBondContact O-N 3.08Å; D100-D103 PolarHBondContact O-N 3.23Å; D100-W104 WeakPolarHBondContact O-CB 3.45Å; D100-W104 PolarHBondContact O-N 3.32Å; D100-W104 VanDerWaalsContact OD1-CD1 3.26Å; D100-W104 PolarHBondContact OD1-NE1 2.87Å
101I95.8Very high93.7Very high1 Ų141.1 Ų41.11%0.00520%0.202CC..Hα-helixtrans-62-48.4174.5-76.1-58.4000111.3L24 L75 M77 G95 T97 A98 E99 D103 W104 M105L24-I101 HydrophobicContact CD2-CD1 4.02Å; L75-I101 WeakPolarHBondContact O-CG1 3.46Å; M77-I101 HydrophobicContact CB-CG2 4.25Å; M77-I101 HydrophobicContact CG-CD1 4.27Å; M77-I101 HydrophobicContact SD-CD1 4.3Å; G95-I101 VanDerWaalsContact CA-CD1 3.5Å; T97-I101 PolarHBondContact O-N 2.91Å; A98-I101 PolarHBondContact O-N 2.92Å; A98-I101 VanDerWaalsContact O-N 3.14Å; E99-I101 PolarHBondContact O-N 3.34Å; I101-D103 VanDerWaalsContact C-N 3.29Å; I101-D103 PolarHBondContact O-N 3.16Å; I101-W104 WeakPolarHBondContact O-CB 3.49Å; I101-W104 PolarHBondContact O-N 3.47Å; I101-W104 VanDerWaalsContact O-N 3.12Å; I101-M105 HydrophobicContact CG2-CG 4.11Å; I101-M105 HydrophobicContact CG2-SD 3.68Å; I101-M105 WeakPolarHBondContact O-CB 3.31Å; I101-M105 WeakPolarHBondContact O-CG 3.38Å; I101-M105 PolarHBondContact O-N 3.48Å
102E94.5Very high93.2Very high65 Ų6540.9 Ų40.930%0.30420%0.203SC..Hα-helixtrans-58.5-42.6177.9-73.5-179.6-16800111.9A98 E99 W104 M105 R106A98-E102 WeakPolarHBondContact O-CG 3.43Å; A98-E102 PolarHBondContact O-N 2.91Å; E99-E102 PolarHBondContact O-N 3.26Å; E102-W104 PolarHBondContact O-N 2.97Å; E102-M105 PolarHBondContact O-N 3.03Å; E102-R106 VanDerWaalsContact O-CB 3.28Å; E102-R106 WeakPolarHBondContact O-CB 3.42Å; E102-R106 PolarHBondContact O-N 3.18Å
103D94.6Very high92.4Very high54 Ų5444.7 Ų44.729%0.28922%0.223SC..Hα-helixtrans-61.5-42.9174.9-79.3-7.8000112.3K20 E99 D100 I101 R106 A107K20-D103 HydrophobicContact CD-CB 4.27Å; K20-D103 VanDerWaalsContact NZ-CB 3.33Å; K20-D103 IonicContact NZ-OD2 2.92Å; E99-D103 WeakPolarHBondContact O-CB 3.39Å; E99-D103 VanDerWaalsContact O-CG 3.3Å; E99-D103 PolarHBondContact O-N 3.15Å; D100-D103 PolarHBondContact O-N 3.23Å; I101-D103 VanDerWaalsContact C-N 3.29Å; I101-D103 PolarHBondContact O-N 3.16Å; D103-R106 PolarHBondContact O-N 3.13Å; D103-R106 IonicContact OD1-CZ 3.07Å; D103-R106 IonicContact OD1-NH1 3.72Å; D103-R106 PolarHBondContact OD1-NH1 3.15Å; D103-A107 WeakPolarHBondContact O-CB 3.48Å; D103-A107 PolarHBondContact O-N 3.43Å
104W95.9Very high91.6Very high0 Ų047.7 Ų47.70%024%0.237CC..Hα-helixtrans-63.6-44.8175.3-87.1110.2000111.5K20 L24 F40 L42 L47 M77 D100 I101 E102 R106 A107 I108K20-W104 HydrophobicContact CB-CE3 4.49Å; K20-W104 HydrophobicContact CB-CH2 4.45Å; K20-W104 HydrophobicContact CB-CZ3 4.26Å; K20-W104 HydrophobicContact CD-CD2 3.78Å; K20-W104 HydrophobicContact CD-CE3 4.07Å; K20-W104 HydrophobicContact CD-CG 4.01Å; K20-W104 VanDerWaalsContact CE-CE2 3.42Å; K20-W104 VanDerWaalsContact CE-NE1 3.27Å; K20-W104 HydrophobicContact CG-CD2 4.16Å; K20-W104 HydrophobicContact CG-CE3 4.21Å; K20-W104 HydrophobicContact CG-CH2 4.16Å; K20-W104 HydrophobicContact CG-CZ2 4.11Å; K20-W104 HydrophobicContact CG-CZ3 4.22Å; L24-W104 HydrophobicContact CD1-CD2 3.69Å; L24-W104 HydrophobicContact CD1-CE3 4.25Å; L24-W104 HydrophobicContact CD1-CG 3.86Å; L24-W104 HydrophobicContact CD1-CZ2 4.2Å; L24-W104 HydrophobicContact CD2-CG 4.36Å; L24-W104 HydrophobicContact CG-CD2 4.42Å; L24-W104 HydrophobicContact CG-CG 4.49Å; L24-W104 HydrophobicContact CG-CZ2 4.39Å; F40-W104 HydrophobicContact CB-CH2 3.48Å; F40-W104 VanDerWaalsContact CB-CH2 3.48Å; F40-W104 HydrophobicContact CB-CZ2 3.93Å; F40-W104 HydrophobicContact CB-CZ3 4.15Å; L42-W104 HydrophobicContact CB-CZ3 4Å; L47-W104 HydrophobicContact CD1-CZ3 3.96Å; M77-W104 HydrophobicContact CE-CB 3.84Å; M77-W104 HydrophobicContact CE-CG 4.43Å; M77-W104 HydrophobicContact SD-CB 3.9Å; D100-W104 WeakPolarHBondContact O-CB 3.45Å; D100-W104 PolarHBondContact O-N 3.32Å; D100-W104 VanDerWaalsContact OD1-CD1 3.26Å; D100-W104 PolarHBondContact OD1-NE1 2.87Å; I101-W104 WeakPolarHBondContact O-CB 3.49Å; I101-W104 PolarHBondContact O-N 3.47Å; I101-W104 VanDerWaalsContact O-N 3.12Å; E102-W104 PolarHBondContact O-N 2.97Å; W104-R106 VanDerWaalsContact C-N 3.32Å; W104-R106 PolarHBondContact O-N 3.25Å; W104-A107 PolarHBondContact O-N 3.41Å; W104-I108 HydrophobicContact CE3-CD1 4.23Å; W104-I108 HydrophobicContact CE3-CG1 4.48Å; W104-I108 WeakPolarHBondContact O-CB 3.43Å; W104-I108 WeakPolarHBondContact O-CD1 3.49Å; W104-I108 WeakPolarHBondContact O-CG1 3.49Å; W104-I108 PolarHBondContact O-N 3.14Å
105M94.6Very high90.9Very high0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-62.2-42.2177.3-67179.985.600111.2V69 E70 M71 M77 I101 E102 S109 W225V69-M105 HydrophobicContact CG1-CB 4Å; V69-M105 HydrophobicContact CG1-CE 3.63Å; V69-M105 HydrophobicContact CG1-CG 3.79Å; E70-M105 VanDerWaalsContact C-CE 3.4Å; M71-M105 HydrophobicContact CB-CE 3.82Å; M71-M105 HydrophobicContact CB-SD 4.37Å; M77-M105 HydrophobicContact CB-CE 3.95Å; M77-M105 HydrophobicContact CB-CG 3.71Å; M77-M105 HydrophobicContact CB-SD 3.82Å; M77-M105 HydrophobicContact CG-CG 4.22Å; M77-M105 HydrophobicContact SD-CB 4.49Å; M77-M105 HydrophobicContact SD-CG 3.44Å; M77-M105 WeakPolarHBondContact SD-CG 3.38Å; I101-M105 HydrophobicContact CG2-CG 4.11Å; I101-M105 HydrophobicContact CG2-SD 3.68Å; I101-M105 WeakPolarHBondContact O-CB 3.31Å; I101-M105 WeakPolarHBondContact O-CG 3.38Å; I101-M105 PolarHBondContact O-N 3.48Å; E102-M105 PolarHBondContact O-N 3.03Å; M105-S109 VanDerWaalsContact O-CB 3.26Å; M105-S109 WeakPolarHBondContact O-CB 3.21Å; M105-S109 PolarHBondContact O-N 3.37Å; M105-S109 PolarHBondContact O-OG 3.34Å; M105-W225 HydrophobicContact CB-CD2 4.41Å; M105-W225 HydrophobicContact CE-CD2 4.23Å; M105-W225 HydrophobicContact CE-CH2 4.07Å; M105-W225 HydrophobicContact CE-CZ2 3.14Å; M105-W225 HydrophobicContact SD-CZ2 4.43Å
106R92.3Very high90.3Very high84 Ų8451.8 Ų51.832%0.31726%0.257SS..Hα-helixtrans-64.3-43.2177.1-161.7-173.9-62.5105.33.2111.5E102 D103 W104 R110E102-R106 VanDerWaalsContact O-CB 3.28Å; E102-R106 WeakPolarHBondContact O-CB 3.42Å; E102-R106 PolarHBondContact O-N 3.18Å; D103-R106 PolarHBondContact O-N 3.13Å; D103-R106 IonicContact OD1-CZ 3.07Å; D103-R106 IonicContact OD1-NH1 3.72Å; D103-R106 PolarHBondContact OD1-NH1 3.15Å; W104-R106 VanDerWaalsContact C-N 3.32Å; W104-R106 PolarHBondContact O-N 3.25Å; R106-R110 VanDerWaalsContact CD-NH2 3.35Å; R106-R110 WeakPolarHBondContact O-CG 3.45Å
107A92.9Very high89.8Confident3 Ų347.5 Ų47.53%0.02524%0.242CC..Hα-helixtrans-65.7-52.7177.600000111.7E19 K20 L42 D103 W104 S109 R110 C111E19-A107 HydrophobicContact CG-CB 4.44Å; K20-A107 HydrophobicContact CB-CB 4.11Å; K20-A107 HydrophobicContact CD-CB 4.15Å; L42-A107 HydrophobicContact CD2-CB 3.58Å; D103-A107 WeakPolarHBondContact O-CB 3.48Å; D103-A107 PolarHBondContact O-N 3.43Å; W104-A107 PolarHBondContact O-N 3.41Å; A107-S109 VanDerWaalsContact C-N 3.28Å; A107-S109 PolarHBondContact O-N 3.31Å; A107-R110 WeakPolarHBondContact O-CB 3.44Å; A107-R110 PolarHBondContact O-N 3.48Å; A107-R110 VanDerWaalsContact O-N 3.08Å; A107-C111 PolarHBondContact O-SG 2.96Å
108I93.2Very high89.1Confident0 Ų048.9 Ų48.90%025%0.246CC..Hα-helixtrans-58.7-41.6-178.4-68168.1000110.9L42 L47 L64 H67 V69 M77 I79 W104 R110 C111L42-I108 HydrophobicContact CD1-CG1 4.46Å; L42-I108 HydrophobicContact CD2-CG1 4.08Å; L47-I108 HydrophobicContact CD2-CD1 4.23Å; L64-I108 HydrophobicContact CD1-CG1 4.49Å; L64-I108 HydrophobicContact CD1-CG2 3.93Å; L64-I108 HydrophobicContact CD2-CG2 4.08Å; H67-I108 PolarHBondContact CE1-O 2.86Å; H67-I108 WeakPolarHBondContact NE2-CG2 3.19Å; H67-I108 PolarHBondContact NE2-O 2.87Å; V69-I108 HydrophobicContact CG2-CB 4.04Å; V69-I108 HydrophobicContact CG2-CG2 3.4Å; V69-I108 VanDerWaalsContact CG2-CG2 3.4Å; M77-I108 HydrophobicContact CE-CD1 3.54Å; M77-I108 HydrophobicContact SD-CD1 4.39Å; I79-I108 HydrophobicContact CD1-CD1 3.9Å; I79-I108 HydrophobicContact CD1-CG2 4.5Å; W104-I108 HydrophobicContact CE3-CD1 4.23Å; W104-I108 HydrophobicContact CE3-CG1 4.48Å; W104-I108 WeakPolarHBondContact O-CB 3.43Å; W104-I108 WeakPolarHBondContact O-CD1 3.49Å; W104-I108 WeakPolarHBondContact O-CG1 3.49Å; W104-I108 PolarHBondContact O-N 3.14Å; I108-R110 PolarHBondContact O-N 2.67Å; I108-C111 VanDerWaalsContact O-CB 3.23Å; I108-C111 WeakPolarHBondContact O-CB 3.35Å; I108-C111 PolarHBondContact O-N 3.24Å
109S90.7Very high88.6Confident28 Ų2849.8 Ų49.820%0.19625%0.248CC..Hα-helixtrans-61.7-29.8-179.2-60.20000113.4M105 A107 C111 S112 W225M105-S109 VanDerWaalsContact O-CB 3.26Å; M105-S109 WeakPolarHBondContact O-CB 3.21Å; M105-S109 PolarHBondContact O-N 3.37Å; M105-S109 PolarHBondContact O-OG 3.34Å; A107-S109 VanDerWaalsContact C-N 3.28Å; A107-S109 PolarHBondContact O-N 3.31Å; S109-C111 VanDerWaalsContact C-N 3.26Å; S109-C111 PolarHBondContact O-N 2.87Å; S109-S112 PolarHBondContact O-N 2.82Å; S109-S112 PolarHBondContact O-OG 3.35Å; S109-W225 WeakPolarHBondContact OG-CZ3 3.14Å
110R87.1Confident88Confident80 Ų8047.6 Ų47.630%0.30224%0.24SC..Hα-helixtrans-73.4-18.1175.7-66.8-177-137.6115-3.9113.3E19 R106 A107 I108 S112 F115E19-R110 IonicContact OE1-CZ 2.73Å; E19-R110 IonicContact OE1-NH1 3.9Å; E19-R110 PolarHBondContact OE1-NH1 2.98Å; R106-R110 VanDerWaalsContact CD-NH2 3.35Å; R106-R110 WeakPolarHBondContact O-CG 3.45Å; A107-R110 WeakPolarHBondContact O-CB 3.44Å; A107-R110 PolarHBondContact O-N 3.48Å; A107-R110 VanDerWaalsContact O-N 3.08Å; I108-R110 PolarHBondContact O-N 2.67Å; R110-S112 PolarHBondContact O-N 3.34Å; R110-F115 HydrophobicContact CB-CD1 4.05Å; R110-F115 HydrophobicContact CB-CE1 3.9Å; R110-F115 HydrophobicContact CB-CG 4.46Å; R110-F115 HydrophobicContact CB-CZ 4.21Å; R110-F115 HydrophobicContact CG-CD1 4.49Å; R110-F115 HydrophobicContact CG-CE1 4.03Å; R110-F115 HydrophobicContact CG-CE2 4.08Å; R110-F115 HydrophobicContact CG-CZ 3.81Å; R110-F115 WeakPolarHBondContact O-CD1 3.34Å
111C87.3Confident87.5Confident8 Ų851.2 Ų51.25%0.05426%0.256CS..THydrogen-bonded Turntrans-79.5-7178.9-48.50000112.8E19 G44 L64 A107 I108 S109E19-C111 PolarHBondContact OE2-SG 3.49Å; G44-C111 VanDerWaalsContact O-CB 3.23Å; G44-C111 WeakPolarHBondContact O-CB 3.42Å; G44-C111 PolarHBondContact O-SG 3.31Å; L64-C111 HydrophobicContact CD1-CB 4.03Å; A107-C111 PolarHBondContact O-SG 2.96Å; I108-C111 VanDerWaalsContact O-CB 3.23Å; I108-C111 WeakPolarHBondContact O-CB 3.35Å; I108-C111 PolarHBondContact O-N 3.24Å; S109-C111 VanDerWaalsContact C-N 3.26Å; S109-C111 PolarHBondContact O-N 2.87Å
112S82.4Confident86.8Confident15 Ų1554.2 Ų54.211%0.10527%0.272CS..SBendtrans-69.2143.1-178.561.70000110.8H67 S109 R110 E114 F115 I116H67-S112 PolarHBondContact CE1-N 3.34Å; S109-S112 PolarHBondContact O-N 2.82Å; S109-S112 PolarHBondContact O-OG 3.35Å; R110-S112 PolarHBondContact O-N 3.34Å; S112-E114 PolarHBondContact O-N 3.22Å; S112-F115 WeakPolarHBondContact O-CB 3.44Å; S112-F115 PolarHBondContact O-N 3.09Å; S112-F115 VanDerWaalsContact O-N 3.13Å; S112-F115 WeakPolarHBondContact OG-CB 3.42Å; S112-F115 PolarHBondContact OG-N 3.32Å; S112-F115 VanDerWaalsContact OG-N 3.16Å; S112-I116 PolarHBondContact O-N 2.64Å
113I78.5Confident86.1Confident97 Ų9756.4 Ų56.450%0.49729%0.285SS..Hα-helixtrans-60.6-35.5174.6-170.2164.1000110.5F115 I116 T117I113-F115 VanDerWaalsContact C-N 3.32Å; I113-F115 PolarHBondContact O-N 3.06Å; I113-I116 PolarHBondContact O-N 3.4Å; I113-I116 VanDerWaalsContact O-N 3.15Å; I113-T117 HydrophobicContact CG1-CG2 4.37Å; I113-T117 WeakPolarHBondContact O-CG2 3.49Å; I113-T117 PolarHBondContact O-N 3.44Å; I113-T117 PolarHBondContact O-OG1 3.34Å
114E77.8Confident85.5Confident63 Ų6359.3 Ų59.329%0.29430%0.297SS..Hα-helixtrans-61.2-39.3176.1-63.792.5154.300112.3R82 S112 T117 L118R82-E114 IonicContact NH1-OE1 3.12Å; R82-E114 PolarHBondContact NH1-OE1 2.94Å; R82-E114 VanDerWaalsContact NH1-OE1 3.12Å; S112-E114 PolarHBondContact O-N 3.22Å; E114-T117 WeakPolarHBondContact CA-OG1 3.28Å; E114-T117 PolarHBondContact O-OG1 2.89Å; E114-L118 WeakPolarHBondContact O-CB 3.47Å; E114-L118 WeakPolarHBondContact O-CD1 3.41Å; E114-L118 VanDerWaalsContact O-CG 3.22Å; E114-L118 WeakPolarHBondContact O-CG 3.05Å; E114-L118 PolarHBondContact O-N 3.41Å; E114-L118 VanDerWaalsContact O-N 3.07Å
115F82.6Confident85Confident78 Ų7863.8 Ų63.834%0.34232%0.321SS..Hα-helixtrans-64-44.6173.7179.2-94000111.2R110 S112 I113 L118 T119R110-F115 HydrophobicContact CB-CD1 4.05Å; R110-F115 HydrophobicContact CB-CE1 3.9Å; R110-F115 HydrophobicContact CB-CG 4.46Å; R110-F115 HydrophobicContact CB-CZ 4.21Å; R110-F115 HydrophobicContact CG-CD1 4.49Å; R110-F115 HydrophobicContact CG-CE1 4.03Å; R110-F115 HydrophobicContact CG-CE2 4.08Å; R110-F115 HydrophobicContact CG-CZ 3.81Å; R110-F115 WeakPolarHBondContact O-CD1 3.34Å; S112-F115 WeakPolarHBondContact O-CB 3.44Å; S112-F115 PolarHBondContact O-N 3.09Å; S112-F115 VanDerWaalsContact O-N 3.13Å; S112-F115 WeakPolarHBondContact OG-CB 3.42Å; S112-F115 PolarHBondContact OG-N 3.32Å; S112-F115 VanDerWaalsContact OG-N 3.16Å; I113-F115 VanDerWaalsContact C-N 3.32Å; I113-F115 PolarHBondContact O-N 3.06Å; F115-L118 PolarHBondContact O-N 3.48Å; F115-T119 HydrophobicContact CD1-CG2 4.17Å; F115-T119 HydrophobicContact CD2-CG2 4.42Å; F115-T119 HydrophobicContact CE1-CG2 3.81Å; F115-T119 HydrophobicContact CE2-CG2 4.07Å; F115-T119 HydrophobicContact CG-CG2 4.47Å; F115-T119 HydrophobicContact CZ-CG2 3.75Å; F115-T119 WeakPolarHBondContact O-CB 3.47Å; F115-T119 VanDerWaalsContact O-CG2 3.25Å; F115-T119 WeakPolarHBondContact O-CG2 3.28Å; F115-T119 PolarHBondContact O-N 3.27Å; F115-T119 PolarHBondContact O-OG1 3.11Å
116I81.9Confident84.2Confident84 Ų8467.7 Ų67.743%0.43134%0.339SS..Hα-helixtrans-64.1-43.2179.3-62.3169.9000110.9S112 I113 T119 L120S112-I116 PolarHBondContact O-N 2.64Å; I113-I116 PolarHBondContact O-N 3.4Å; I113-I116 VanDerWaalsContact O-N 3.15Å; I116-T119 WeakPolarHBondContact CA-OG1 3.38Å; I116-T119 PolarHBondContact O-N 3.09Å; I116-T119 PolarHBondContact O-OG1 3.1Å; I116-L120 HydrophobicContact CG2-CD1 4.04Å; I116-L120 HydrophobicContact CG2-CG 4.41Å; I116-L120 WeakPolarHBondContact O-CB 3.33Å; I116-L120 VanDerWaalsContact O-CG 3.3Å; I116-L120 WeakPolarHBondContact O-CG 3.21Å; I116-L120 PolarHBondContact O-N 3.23Å
117T84Confident83.6Confident61 Ų6171.5 Ų71.537%0.37436%0.355SS..Hα-helixtrans-65-44.6179.552.50000112I113 E114 T119 L120 E121I113-T117 HydrophobicContact CG1-CG2 4.37Å; I113-T117 WeakPolarHBondContact O-CG2 3.49Å; I113-T117 PolarHBondContact O-N 3.44Å; I113-T117 PolarHBondContact O-OG1 3.34Å; E114-T117 WeakPolarHBondContact CA-OG1 3.28Å; E114-T117 PolarHBondContact O-OG1 2.89Å; T117-T119 VanDerWaalsContact C-N 3.35Å; T117-T119 PolarHBondContact O-N 2.89Å; T117-L120 PolarHBondContact O-N 2.85Å; T117-E121 WeakPolarHBondContact O-CG 3.35Å; T117-E121 PolarHBondContact O-N 3.11Å
118L80.4Confident83.3Confident99 Ų9976.2 Ų76.252%0.51838%0.375SS..Hα-helixtrans-64.1-41.5178.5-71.1170.2000111.6E114 F115 L120 E121 D122E114-L118 WeakPolarHBondContact O-CB 3.47Å; E114-L118 WeakPolarHBondContact O-CD1 3.41Å; E114-L118 VanDerWaalsContact O-CG 3.22Å; E114-L118 WeakPolarHBondContact O-CG 3.05Å; E114-L118 PolarHBondContact O-N 3.41Å; E114-L118 VanDerWaalsContact O-N 3.07Å; F115-L118 PolarHBondContact O-N 3.48Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 PolarHBondContact O-N 2.91Å; L118-E121 PolarHBondContact O-N 2.9Å; L118-D122 PolarHBondContact O-N 2.88Å
119T84.2Confident82.9Confident53 Ų5378.9 Ų78.933%0.32540%0.397SS..Hα-helixtrans-68.2-32.8177.6530000113F115 I116 T117 L123F115-T119 HydrophobicContact CD1-CG2 4.17Å; F115-T119 HydrophobicContact CD2-CG2 4.42Å; F115-T119 HydrophobicContact CE1-CG2 3.81Å; F115-T119 HydrophobicContact CE2-CG2 4.07Å; F115-T119 HydrophobicContact CG-CG2 4.47Å; F115-T119 HydrophobicContact CZ-CG2 3.75Å; F115-T119 WeakPolarHBondContact O-CB 3.47Å; F115-T119 VanDerWaalsContact O-CG2 3.25Å; F115-T119 WeakPolarHBondContact O-CG2 3.28Å; F115-T119 PolarHBondContact O-N 3.27Å; F115-T119 PolarHBondContact O-OG1 3.11Å; I116-T119 WeakPolarHBondContact CA-OG1 3.38Å; I116-T119 PolarHBondContact O-N 3.09Å; I116-T119 PolarHBondContact O-OG1 3.1Å; T117-T119 VanDerWaalsContact C-N 3.35Å; T117-T119 PolarHBondContact O-N 2.89Å; T119-L123 WeakPolarHBondContact O-CB 3.34Å; T119-L123 PolarHBondContact O-N 2.81Å; T119-L123 VanDerWaalsContact O-N 3.09Å
120L82.4Confident82.3Confident92 Ų9283.1 Ų83.148%0.48242%0.416SS..Hα-helixtrans-67.4-45.1172.3-76.5173.8000112I116 T117 L118 D122 L123 E124I116-L120 HydrophobicContact CG2-CD1 4.04Å; I116-L120 HydrophobicContact CG2-CG 4.41Å; I116-L120 WeakPolarHBondContact O-CB 3.33Å; I116-L120 VanDerWaalsContact O-CG 3.3Å; I116-L120 WeakPolarHBondContact O-CG 3.21Å; I116-L120 PolarHBondContact O-N 3.23Å; T117-L120 PolarHBondContact O-N 2.85Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L118-L120 PolarHBondContact O-N 2.91Å; L120-D122 PolarHBondContact O-N 2.88Å; L120-L123 PolarHBondContact O-N 3.27Å; L120-L123 VanDerWaalsContact O-N 3.17Å; L120-E124 WeakPolarHBondContact O-CG 3.42Å; L120-E124 PolarHBondContact O-N 3.26Å
121E84.7Confident82.1Confident111 Ų11181.3 Ų81.352%0.51942%0.415SS..Hα-helixtrans-58-47.9176.2-73.3173.5-17100111.2T117 L118 L123 E124 D125T117-E121 WeakPolarHBondContact O-CG 3.35Å; T117-E121 PolarHBondContact O-N 3.11Å; L118-E121 PolarHBondContact O-N 2.9Å; E121-L123 VanDerWaalsContact C-N 3.28Å; E121-L123 PolarHBondContact O-N 2.82Å; E121-E124 PolarHBondContact O-N 3.4Å; E121-D125 PolarHBondContact O-N 3.47Å
122D80.6Confident81.7Confident64 Ų6484.8 Ų84.834%0.34244%0.435SS..Hα-helixtrans-57.9-41.5175.8-76-14.4000111.7L118 L120 H126L118-D122 PolarHBondContact O-N 2.88Å; L120-D122 PolarHBondContact O-N 2.88Å; D122-H126 VanDerWaalsContact O-CG 3.22Å; D122-H126 PolarHBondContact O-N 2.87Å; D122-H126 PolarHBondContact O-ND1 3.07Å
123L79.4Confident81.2Confident111 Ų11187.9 Ų87.958%0.58145%0.453SS*.Hα-helixtrans-69.5-40.8-179.5-174.664000112.4T119 L120 E121 D125 H126 Y127T119-L123 WeakPolarHBondContact O-CB 3.34Å; T119-L123 PolarHBondContact O-N 2.81Å; T119-L123 VanDerWaalsContact O-N 3.09Å; L120-L123 PolarHBondContact O-N 3.27Å; L120-L123 VanDerWaalsContact O-N 3.17Å; E121-L123 VanDerWaalsContact C-N 3.28Å; E121-L123 PolarHBondContact O-N 2.82Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-H126 PolarHBondContact O-N 2.79Å; L123-Y127 PolarHBondContact O-N 2.72Å
124E82.8Confident80.7Confident114 Ų11490.7 Ų90.753%0.53346%0.462SS..Hα-helixtrans-62.9-41.8175.8-76.3-172.8-174.600111.8L120 E121 H126 Y127 K128L120-E124 WeakPolarHBondContact O-CG 3.42Å; L120-E124 PolarHBondContact O-N 3.26Å; E121-E124 PolarHBondContact O-N 3.4Å; E124-H126 VanDerWaalsContact C-N 3.34Å; E124-Y127 WeakPolarHBondContact O-CB 3.44Å; E124-Y127 PolarHBondContact O-N 3.12Å; E124-K128 VanDerWaalsContact O-CG 3.31Å; E124-K128 WeakPolarHBondContact O-CG 3.46Å; E124-K128 PolarHBondContact O-N 3.15Å; E124-K128 IonicContact OE2-NZ 3.85Å
125D86.1Confident79.8Confident95 Ų9594 Ų9451%0.50848%0.477SS..Hα-helixtrans-67.5-37.9178.8-77.6-3.8000111.4E121 L123 K128 A129E121-D125 PolarHBondContact O-N 3.47Å; L123-D125 VanDerWaalsContact C-N 3.33Å; D125-K128 PolarHBondContact O-N 3.22Å; D125-K128 IonicContact OD1-NZ 2.66Å; D125-K128 PolarHBondContact OD1-NZ 2.95Å; D125-A129 WeakPolarHBondContact O-CB 3.13Å; D125-A129 PolarHBondContact O-N 2.95Å
126H76.8Confident78.7Confident81 Ų8193.7 Ų93.738%0.37548%0.482SS..Hα-helixtrans-60.4-43.7169.1-71155.3000112.6D122 L123 E124 A129 L130D122-H126 VanDerWaalsContact O-CG 3.22Å; D122-H126 PolarHBondContact O-N 2.87Å; D122-H126 PolarHBondContact O-ND1 3.07Å; L123-H126 PolarHBondContact O-N 2.79Å; E124-H126 VanDerWaalsContact C-N 3.34Å; H126-A129 PolarHBondContact O-N 2.97Å; H126-L130 WeakPolarHBondContact O-CG 3.44Å; H126-L130 PolarHBondContact O-N 3.32Å
127Y80.7Confident77.5Confident164 Ų16494.6 Ų94.664%0.64349%0.488SS*.Hα-helixtrans-61.3-47.3177.5-178.1-100.2000111.3L123 E124 A129 L130 T131L123-Y127 PolarHBondContact O-N 2.72Å; E124-Y127 WeakPolarHBondContact O-CB 3.44Å; E124-Y127 PolarHBondContact O-N 3.12Å; Y127-A129 VanDerWaalsContact C-N 3.35Å; Y127-A129 PolarHBondContact O-N 3.26Å; Y127-L130 PolarHBondContact O-N 2.81Å; Y127-T131 HydrophobicContact CD1-CG2 4.21Å; Y127-T131 HydrophobicContact CE1-CG2 3.79Å; Y127-T131 HydrophobicContact CE2-CG2 4.13Å; Y127-T131 WeakPolarHBondContact O-CG2 3.39Å; Y127-T131 PolarHBondContact O-N 3.43Å; Y127-T131 PolarHBondContact O-OG1 3.3Å
128K85Confident76.2Confident102 Ų10296.3 Ų96.344%0.44350%0.498SS..Hα-helixtrans-59.9-42.2177.6-69.6167.1-160.8151.30112.2E124 D125 T131 T132E124-K128 VanDerWaalsContact O-CG 3.31Å; E124-K128 WeakPolarHBondContact O-CG 3.46Å; E124-K128 PolarHBondContact O-N 3.15Å; E124-K128 IonicContact OE2-NZ 3.85Å; D125-K128 PolarHBondContact O-N 3.22Å; D125-K128 IonicContact OD1-NZ 2.66Å; D125-K128 PolarHBondContact OD1-NZ 2.95Å; K128-T131 WeakPolarHBondContact CA-OG1 3.47Å; K128-T131 PolarHBondContact O-N 3.36Å; K128-T131 PolarHBondContact O-OG1 3.41Å; K128-T132 WeakPolarHBondContact O-CB 3.26Å; K128-T132 PolarHBondContact O-N 3.28Å; K128-T132 PolarHBondContact O-OG1 3.35Å
129A85Confident74.9Confident56 Ų5697.2 Ų97.246%0.46350%0.504SS..Hα-helixtrans-62-46.2177.200000111.4D125 H126 Y127 T132 V133D125-A129 WeakPolarHBondContact O-CB 3.13Å; D125-A129 PolarHBondContact O-N 2.95Å; H126-A129 PolarHBondContact O-N 2.97Å; Y127-A129 VanDerWaalsContact C-N 3.35Å; Y127-A129 PolarHBondContact O-N 3.26Å; A129-T132 PolarHBondContact O-N 3.16Å; A129-V133 WeakPolarHBondContact O-CG2 3.22Å; A129-V133 PolarHBondContact O-N 3.17Å; A129-V133 VanDerWaalsContact O-N 3.15Å
130L79.3Confident73.3Confident117 Ų117102.1 Ų102.161%0.61352%0.523SS*.Hα-helixtrans-65.8-38.9178.8-70.3173.8000112.8H126 Y127 K134H126-L130 WeakPolarHBondContact O-CG 3.44Å; H126-L130 PolarHBondContact O-N 3.32Å; Y127-L130 PolarHBondContact O-N 2.81Å; L130-K134 WeakPolarHBondContact O-CG 3.19Å; L130-K134 PolarHBondContact O-N 3.05Å; L130-K134 VanDerWaalsContact O-N 3.15Å
131T81.2Confident71.7Confident43 Ų43106.9 Ų106.926%0.26454%0.54SS..Hα-helixtrans-69.7-35.4177.353.80000112.3Y127 K128 K134 Q135Y127-T131 HydrophobicContact CD1-CG2 4.21Å; Y127-T131 HydrophobicContact CE1-CG2 3.79Å; Y127-T131 HydrophobicContact CE2-CG2 4.13Å; Y127-T131 WeakPolarHBondContact O-CG2 3.39Å; Y127-T131 PolarHBondContact O-N 3.43Å; Y127-T131 PolarHBondContact O-OG1 3.3Å; K128-T131 WeakPolarHBondContact CA-OG1 3.47Å; K128-T131 PolarHBondContact O-N 3.36Å; K128-T131 PolarHBondContact O-OG1 3.41Å; T131-K134 PolarHBondContact O-N 3.48Å; T131-Q135 WeakPolarHBondContact O-CG 3.37Å; T131-Q135 PolarHBondContact O-N 2.78Å; T131-Q135 VanDerWaalsContact O-N 3.16Å
132T79.8Confident69.9Low80 Ų80105.6 Ų105.649%0.49154%0.543SS..Hα-helixtrans-65.6-42.8177.4-55.60000110.9K128 A129 K134 Q135 T136K128-T132 WeakPolarHBondContact O-CB 3.26Å; K128-T132 PolarHBondContact O-N 3.28Å; K128-T132 PolarHBondContact O-OG1 3.35Å; A129-T132 PolarHBondContact O-N 3.16Å; T132-K134 PolarHBondContact O-N 3.18Å; T132-Q135 PolarHBondContact O-N 3Å; T132-T136 PolarHBondContact O-N 3.38Å; T132-T136 VanDerWaalsContact O-N 3.16Å; T132-T136 PolarHBondContact O-OG1 3.25Å
133V72Confident68.1Low80 Ų80107.5 Ų107.549%0.48556%0.562SS.*Hα-helixtrans-66.9-34176.8175.20000112.4A129 T136 N137A129-V133 WeakPolarHBondContact O-CG2 3.22Å; A129-V133 PolarHBondContact O-N 3.17Å; A129-V133 VanDerWaalsContact O-N 3.15Å; V133-T136 WeakPolarHBondContact CA-OG1 3.46Å; V133-T136 PolarHBondContact O-OG1 3.29Å; V133-N137 PolarHBondContact O-N 3.12Å; V133-N137 VanDerWaalsContact O-N 3.15Å
134K68.3Low66.2Low156 Ų156107.4 Ų107.468%0.67857%0.57SS**Hα-helixtrans-65.5-40.1174.7-77.5-178178.5-178.80112.1L130 T131 T132 N137 T138L130-K134 WeakPolarHBondContact O-CG 3.19Å; L130-K134 PolarHBondContact O-N 3.05Å; L130-K134 VanDerWaalsContact O-N 3.15Å; T131-K134 PolarHBondContact O-N 3.48Å; T132-K134 PolarHBondContact O-N 3.18Å; K134-N137 PolarHBondContact O-N 3.29Å; K134-T138 PolarHBondContact O-N 3.03Å; K134-T138 PolarHBondContact O-OG1 2.97Å
135Q58.4Low64.4Low132 Ų132106.6 Ų106.662%0.61758%0.577SS**Hα-helixtrans-69.5-33178.7-70.8178.85.100112.9T131 T132 T138T131-Q135 WeakPolarHBondContact O-CG 3.37Å; T131-Q135 PolarHBondContact O-N 2.78Å; T131-Q135 VanDerWaalsContact O-N 3.16Å; T132-Q135 PolarHBondContact O-N 3Å; Q135-T138 PolarHBondContact O-OG1 2.81Å
136T59.7Low62.4Low73 Ų73108.4 Ų108.445%0.44859%0.592SS.*Hα-helixtrans-73.7-35.917655.80000112.4T132 V133 T138 N139T132-T136 PolarHBondContact O-N 3.38Å; T132-T136 VanDerWaalsContact O-N 3.16Å; T132-T136 PolarHBondContact O-OG1 3.25Å; V133-T136 WeakPolarHBondContact CA-OG1 3.46Å; V133-T136 PolarHBondContact O-OG1 3.29Å; T136-T138 PolarHBondContact O-N 2.78Å; T136-N139 PolarHBondContact O-N 2.87Å
137N57.4Low60.6Low103 Ų103112.3 Ų112.355%0.55162%0.615SS**Hα-helixtrans-72.7-23.2177.5-82.1-20.4000114.3V133 K134V133-N137 PolarHBondContact O-N 3.12Å; V133-N137 VanDerWaalsContact O-N 3.15Å; K134-N137 PolarHBondContact O-N 3.29Å
138T56Low58.7Low96 Ų96112.3 Ų112.359%0.58962%0.624SS**Hα-helixtrans-77.4-26173.546.60000113.2K134 Q135 T136K134-T138 PolarHBondContact O-N 3.03Å; K134-T138 PolarHBondContact O-OG1 2.97Å; Q135-T138 PolarHBondContact O-OG1 2.81Å; T136-T138 PolarHBondContact O-N 2.78Å
139N52.4Low56.4Low118 Ų118110.5 Ų110.563%0.63164%0.635SS**Hα-helixtrans-87-8-178.1-73.3-8.8000114.4T136T136-N139 PolarHBondContact O-N 2.87Å
140Q51.1Low54.1Low157 Ų157116 Ų11673%0.73466%0.656SS**SBendtrans-98.8-9.2176.9-67.8-169.4-1.500114.3
141K48.2Very low52.1Low191 Ų191117.3 Ų117.383%0.8366%0.664SS**SBendtrans-88.2-4.7177.2-91.4-179.2176.51790114.9
142S47.4Very low50.4Low85 Ų85122.1 Ų122.159%0.59469%0.688SS**SBendtrans-106.43.7-177.640.80000114.9S144S142-S144 PolarHBondContact O-N 2.96Å
143S43.4Very low48.6Very low104 Ų104125.6 Ų125.673%0.72770%0.703SS**  trans-96.527-174.9-48.20000115.3
144S39.9Very low47.2Very low108 Ų108127.5 Ų127.576%0.75572%0.72SS**  trans-129.758.2177.943.70000112.5S142S142-S144 PolarHBondContact O-N 2.96Å
145S44.2Very low45.7Very low98 Ų98126.2 Ų126.269%0.68573%0.726SS**SBendtrans-164.9113.6157.157.30000111.6
146T44Very low44.8Very low133 Ų133127.5 Ų127.582%0.81674%0.735SS**  trans76.4103141.8-29.70000118.2
147L38.2Very low43.7Very low162 Ų162128.8 Ų128.885%0.84875%0.747SS**  trans-37.7139.3151.1-64.3142.2000112
148I41.5Very low42.9Very low165 Ų165130.6 Ų130.685%0.84676%0.762SS**  trans161.4121.4139-81.8154.4000109.7
149G36.9Very low42.1Very low64 Ų64132.2 Ų132.266%0.6677%0.771SS**  93.8103.8128.200000120.6
150N37.6Very low41.4Very low170 Ų170135.8 Ų135.891%0.90978%0.781SS**  trans85124.7133.3-75.84.4000123.3
151N37.2Very low40.6Very low145 Ų145134.1 Ų134.178%0.77579%0.787SS**  trans-49.9142.2161.4-70.2-28.4000114.1
152N44.4Very low40.1Very low145 Ų145130.3 Ų130.378%0.77579%0.785SS**  172.9128110.9-83-23.8000111.7
153N42Very low39.8Very low152 Ų152134 Ų13481%0.81380%0.797SS**  trans22.3119.3149.1-60.7-15.2000119.6
154S43.5Very low39.5Very low121 Ų121139.4 Ų139.485%0.84681%0.808SS**  178.3134112.939.10000112.1
155T35.6Very low39.5Very low129 Ų129138.7 Ų138.779%0.79180%0.802SS**  trans-45138.4168.742.50000114.5
156I41.1Very low39.6Very low159 Ų159142.9 Ų142.982%0.81581%0.808SS**  trans-166.7117.1139.3-99.1150.8000111.1
157S36.6Very low39.3Very low99 Ų99148.6 Ų148.669%0.69282%0.815SS**  trans13.6121.5156.160.50000121
158T40.6Very low40.1Very low141 Ų141146.3 Ų146.387%0.86581%0.812SS**  trans-142.991.5142.2-45.10000109.9
159V37.7Very low40.2Very low130 Ų130143.5 Ų143.579%0.78880%0.799SS**  trans-80118162178.90000106.3
160K37.5Very low41Very low193 Ų193145.4 Ų145.484%0.83980%0.8SS**  trans159.993.4150.3-89.4161.7-172.5-175.10110.5
161S35.5Very low41.4Very low123 Ų123146 Ų14686%0.8680%0.795SS**  trans166.270.1141.6580000110.4
162S37.3Very low41.9Very low111 Ų111146 Ų14678%0.77679%0.794SS**  trans-147.659.6174.666.60000111.6
163L40.2Very low42.1Very low161 Ų161147.9 Ų147.984%0.84380%0.796SS**SBendtrans-134.91.1170.8-80.9170.7000115.4
164F38.1Very low42.3Very low219 Ų219145.8 Ų145.896%0.96179%0.793SS**  trans-116.864.9167.9-70.3-76.5000110.2
165S40.9Very low41.9Very low92 Ų92147.6 Ų147.664%0.64379%0.793SS**  trans-83.7123.7173.7-1650000109
166K44.6Very low42.2Very low186 Ų186146.5 Ų146.581%0.80979%0.791SS**  trans73.784.1154.1-58.6165.2-175.1-176.10117.6
167R39.2Very low42Very low254 Ų254147.1 Ų147.196%0.95879%0.794SS**  trans-134.497.2135.5-70.9-166172.8-143.9-1.8109.2
168S53.5Low42.2Very low113 Ų113148.7 Ų148.779%0.7980%0.8SS**  trans-69.8127174.455.80000110P170S168-P170 WeakPolarHBondContact O-CD 3.34Å
169N44.1Very low41.9Very low106 Ų106145 Ų14557%0.56779%0.79SS**  trans-64.5121.8170.4-176.2-14.2000109.7F171 N172N169-F171 PolarHBondContact O-N 2.87Å; N169-F171 PolarHBondContact OD1-N 3.14Å; N169-N172 PolarHBondContact O-N 2.79Å
170P54.7Low41.9Very low105 Ų105145.9 Ų145.968%0.68280%0.796SS**THydrogen-bonded Turntrans-66.3-6-174.924.8-33.2000115.2S168S168-P170 WeakPolarHBondContact O-CD 3.34Å
171F45.3Very low41.8Very low183 Ų183140 Ų14080%0.80378%0.779SS**THydrogen-bonded Turntrans-100.22.9179.1-64.5-74.9000114.6N169 K173N169-F171 PolarHBondContact O-N 2.87Å; N169-F171 PolarHBondContact OD1-N 3.14Å; F171-K173 PolarHBondContact O-N 3.2Å
172N48.5Very low42.2Very low143 Ų143144.2 Ų144.277%0.76578%0.778SS**  trans-96.373.8178.4-142.95.6000110.9N169 S174N169-N172 PolarHBondContact O-N 2.79Å; N172-S174 PolarHBondContact O-N 2.76Å
173K48.1Very low42.2Very low185 Ų185146 Ų14680%0.80478%0.778SS**  trans-85.897.8170.1-77.9-175.6178.6-178.70109.6F171 N175F171-K173 PolarHBondContact O-N 3.2Å; K173-N175 PolarHBondContact O-N 3.02Å
174S46.8Very low42.5Very low108 Ų108146.4 Ų146.476%0.75578%0.78SS**  trans-76.1101.316153.30000108.9N172 S176N172-S174 PolarHBondContact O-N 2.76Å; S174-S176 PolarHBondContact O-N 3.03Å
175N35Very low42.5Very low159 Ų159143.3 Ų143.385%0.8577%0.773SS**  trans-74.6108.8165.4-85.6-6.9000109.1K173K173-N175 PolarHBondContact O-N 3.02Å
176S40.2Very low42.2Very low106 Ų106143.9 Ų143.974%0.74178%0.775SS**  trans-154.187.5154.165.70000109.4S174S174-S176 PolarHBondContact O-N 3.03Å
177I38.4Very low42.1Very low172 Ų172142.1 Ų142.188%0.88278%0.78SS**  trans-108.4118.7158.2-68.4176.5000106.7
178T39.7Very low41.8Very low133 Ų133133.3 Ų133.382%0.81677%0.768SS**  trans-67.2139.1167.943.80000111.7
179G34.1Very low41Very low64 Ų64137.3 Ų137.366%0.6677%0.771SS**  trans111.6119.1141.500000117.6
180T39.1Very low40.5Very low147 Ų147138.8 Ų138.890%0.90278%0.779SS**  trans77.4134.3159.577.50000115.1
181S33.9Very low39.7Very low71 Ų71138.2 Ų138.250%0.49778%0.778SS.*  cis-176.9161.7-5.6-176.90000107.6
182Y44.9Very low39.5Very low211 Ų211138.9 Ų138.983%0.82778%0.784SS**  trans84.7110.1162.5-34.7-68.5000120
183D36.4Very low38.8Very low147 Ų147137.5 Ų137.579%0.78679%0.785SS**  trans-20.7147159.5-52.6-68.4000120.6
184I46.7Very low38.2Very low170 Ų170141 Ų14187%0.87279%0.793SS**  171.7148.1106.1-79.6163.5000110.9
185D37.8Very low37.6Very low155 Ų155142.8 Ų142.883%0.82979%0.787SS**  trans-53.4165.5-159.6-87.4-44.7000123.5
186P36.2Very low37.3Very low104 Ų104143.8 Ų143.868%0.67579%0.792SS**  trans-108.5148-17439.6-28000114.6
187T41.6Very low36.9Very low149 Ų149147.1 Ų147.191%0.91479%0.789SS**  trans-155.4137.6158.8490000114
188G33.4Very low36.6Very low69 Ų69147.4 Ų147.471%0.71179%0.792SS**  trans82.3136.9153.300000116.7
189F36.1Very low36.3Very low196 Ų196146.6 Ų146.686%0.8679%0.791SS**  cis-161136.617.8-104.9-103.6000106.1
190N34.5Very low36.2Very low138 Ų138148.8 Ų148.874%0.73880%0.797SS**  51.8136.895.7-117.1-4.1000113.9
191S37.2Very low36.1Very low93 Ų93147.2 Ų147.265%0.6579%0.791SS**  cis-179.91465.2-131.20000106.3
192Q40Very low36.2Very low197 Ų197148.6 Ų148.692%0.92180%0.801SS**  trans161.8106.2132.3-90.3175.9-1400113.3
193S34.1Very low35.7Very low114 Ų114146.1 Ų146.180%0.79780%0.802SS**  trans-82.5146.1175.7-56.50000112.8
194R35.7Very low35.3Very low258 Ų258142.1 Ų142.197%0.97480%0.796SS**  trans-135.9113.1144.2-102.4-168.7-88.8-150-2.4109.6
195K34.3Very low34.5Very low146 Ų146142 Ų14264%0.63580%0.796SS**  trans-88.5142.3175.3-87.9168.7151.9-174.20110.3Y197K195-Y197 HydrophobicContact CB-CE2 4.16Å; K195-Y197 HydrophobicContact CD-CE1 4.02Å; K195-Y197 HydrophobicContact CD-CE2 4.16Å; K195-Y197 VanDerWaalsContact CD-OH 3.29Å; K195-Y197 WeakPolarHBondContact CD-OH 3.4Å; K195-Y197 PolarHBondContact NZ-OH 2.88Å
196L29.9Very low34.3Very low180 Ų180141.7 Ų141.794%0.94279%0.794SS**  trans-130.2130.1147-76.2173.9000108
197Y31.5Very low33.9Very low176 Ų176144 Ų14469%0.6980%0.8SS**  trans-90.7141.3-174-58.9-93.9000110.3K195K195-Y197 HydrophobicContact CB-CE2 4.16Å; K195-Y197 HydrophobicContact CD-CE1 4.02Å; K195-Y197 HydrophobicContact CD-CE2 4.16Å; K195-Y197 VanDerWaalsContact CD-OH 3.29Å; K195-Y197 WeakPolarHBondContact CD-OH 3.4Å; K195-Y197 PolarHBondContact NZ-OH 2.88Å
198L31.9Very low33.6Very low178 Ų178146.2 Ų146.293%0.93280%0.8SS**  trans-135.3128.9151-141.574.8000108.6
199S34Very low33.7Very low115 Ų115149.4 Ų149.480%0.80481%0.806SS**  trans-73.2145.9-166.247.50000114.2
200S32.1Very low33.6Very low111 Ų111145 Ų14578%0.77679%0.791SS**  trans-58.3136.2175.343.40000115.7
201S35.3Very low33.7Very low113 Ų113142.8 Ų142.879%0.7979%0.792SS**  trans-167.1135.1131.1-83.10000112.1
202S36.2Very low34Very low100 Ų100143.1 Ų143.170%0.69979%0.794SS**  trans70.4124.415955.30000120.6
203N35.1Very low34.2Very low159 Ų159137.5 Ų137.585%0.8578%0.776SS**  trans83113163.1-44.7-32.5000114.1
204G28.7Very low34.9Very low63 Ų63135.9 Ų135.965%0.64976%0.758SS**  cis96.296.733.700000108.7
205L29.3Very low35.8Very low169 Ų169128.3 Ų128.389%0.88574%0.737SS**SBendtrans68.4143.9177.6-69.284.4000115.9
206L33.1Very low36.3Very low147 Ų147126.3 Ų126.377%0.7773%0.73SS**  trans97.919172.5-54.3173.2000119.1
207N29.1Very low37.2Very low152 Ų152120.9 Ų120.981%0.81370%0.704SS**SBendtrans-135.970.4169.9-91.7-16.9000112.2
208Q33.7Very low38.2Very low196 Ų196117.9 Ų117.992%0.91670%0.697SS**SBendtrans-156.6-0162.2-118.6163.469.300117
209T35.6Very low39.8Very low136 Ų136113.2 Ų113.283%0.83467%0.666SS**SBendtrans-131.68.5-176.947.50000115.6
210L33.6Very low40.9Very low105 Ų105110.6 Ų110.655%0.5564%0.643SS.*  trans-94.42.8-173.3-80.7159.2000115.2I214L210-I214 HydrophobicContact CB-CD1 4.36Å; L210-I214 HydrophobicContact CD2-CD1 4.34Å; L210-I214 WeakPolarHBondContact O-CD1 3.22Å
211A37.5Very low42.2Very low91 Ų91110.8 Ų110.875%0.75264%0.635SS**SBendtrans-94.1-0-161.700000117
212S43.1Very low43.6Very low100 Ų100109.9 Ų109.970%0.69963%0.625SS**SBendtrans-115.8-26-172.257.10000117N215S212-N215 PolarHBondContact O-ND2 2.83Å
213S44.3Very low44.8Very low78 Ų78106.6 Ų106.655%0.54560%0.598SS.*SBendtrans-107.5-4.7-177.487.50000115.4N215S213-N215 PolarHBondContact O-N 2.8Å
214I49.2Very low46.7Very low80 Ų80102.4 Ų102.441%0.4158%0.576SS.*SBendtrans-69.6-12.8174.2-69.5-179.6000111.8L210 H216 Q218L210-I214 HydrophobicContact CB-CD1 4.36Å; L210-I214 HydrophobicContact CD2-CD1 4.34Å; L210-I214 WeakPolarHBondContact O-CD1 3.22Å; I214-H216 PolarHBondContact O-N 2.85Å; I214-Q218 HydrophobicContact CG2-CB 4.31Å; I214-Q218 HydrophobicContact CG2-CG 3.68Å; I214-Q218 VanDerWaalsContact O-CB 3.29Å; I214-Q218 WeakPolarHBondContact O-CB 3.4Å; I214-Q218 PolarHBondContact O-N 3Å
215N54.7Low48.7Very low100 Ų100100.2 Ų100.254%0.53555%0.548SS..Hα-helixtrans-68.8-42.4-165.1-66.9-45.1000113.5S212 S213 W219S212-N215 PolarHBondContact O-ND2 2.83Å; S213-N215 PolarHBondContact O-N 2.8Å; N215-W219 VanDerWaalsContact O-CA 3.26Å; N215-W219 WeakPolarHBondContact O-CA 3.41Å; N215-W219 WeakPolarHBondContact O-CB 3.28Å; N215-W219 PolarHBondContact O-N 2.86Å
216H44.3Very low50.9Low103 Ų10397.6 Ų97.648%0.47753%0.531SS..Hα-helixtrans-74.4-42.3-168-168.6-113000114.8I214 W219 L220I214-H216 PolarHBondContact O-N 2.85Å; H216-W219 AromaticContact CD2-CE3 3.78Å; H216-W219 AromaticContact NE2-CE3 3.91Å; H216-W219 AromaticContact NE2-CZ3 3.94Å; H216-W219 WeakPolarHBondContact O-CB 3.45Å; H216-W219 PolarHBondContact O-N 2.68Å; H216-L220 WeakPolarHBondContact O-CG 3.24Å; H216-L220 PolarHBondContact O-N 2.91Å
217T49.8Very low52.8Low67 Ų6795.1 Ų95.141%0.41152%0.516SS..Hα-helixtrans-74.8-38178.552.10000111.9W219 L221T217-W219 VanDerWaalsContact C-N 3.3Å; T217-L221 VanDerWaalsContact O-CG 3.32Å; T217-L221 WeakPolarHBondContact O-CG 3.48Å; T217-L221 PolarHBondContact O-N 2.89Å
218Q52.8Low54.5Low113 Ų11389.8 Ų89.853%0.52849%0.487SS..Hα-helixtrans-62.9-39165.6-83.1-103.5-43.300111.4I214 L221 T222I214-Q218 HydrophobicContact CG2-CB 4.31Å; I214-Q218 HydrophobicContact CG2-CG 3.68Å; I214-Q218 VanDerWaalsContact O-CB 3.29Å; I214-Q218 WeakPolarHBondContact O-CB 3.4Å; I214-Q218 PolarHBondContact O-N 3Å; Q218-L221 CarbonylContact O-C 3.47Å; Q218-L221 PolarHBondContact O-N 2.77Å; Q218-L221 VanDerWaalsContact O-N 3.15Å; Q218-T222 WeakPolarHBondContact O-CG2 3.29Å; Q218-T222 PolarHBondContact O-N 3.21Å; Q218-T222 PolarHBondContact O-OG1 3.39Å
219W65.1Low56.2Low79 Ų7981.3 Ų81.330%0.29945%0.448SS..Hα-helixtrans-64.4-43.1179.5175.492000111.2N215 H216 T217 L221 T222 Q223N215-W219 VanDerWaalsContact O-CA 3.26Å; N215-W219 WeakPolarHBondContact O-CA 3.41Å; N215-W219 WeakPolarHBondContact O-CB 3.28Å; N215-W219 PolarHBondContact O-N 2.86Å; H216-W219 AromaticContact CD2-CE3 3.78Å; H216-W219 AromaticContact NE2-CE3 3.91Å; H216-W219 AromaticContact NE2-CZ3 3.94Å; H216-W219 WeakPolarHBondContact O-CB 3.45Å; H216-W219 PolarHBondContact O-N 2.68Å; T217-W219 VanDerWaalsContact C-N 3.3Å; W219-L221 VanDerWaalsContact C-N 3.28Å; W219-L221 PolarHBondContact O-N 2.74Å; W219-T222 WeakPolarHBondContact CA-OG1 3.46Å; W219-T222 CarbonylContact O-C 3.59Å; W219-T222 PolarHBondContact O-N 3.27Å; W219-T222 VanDerWaalsContact O-N 3.1Å; W219-T222 PolarHBondContact O-OG1 3.23Å; W219-Q223 HydrophobicContact CD2-CG 3.74Å; W219-Q223 VanDerWaalsContact CE2-NE2 3.3Å; W219-Q223 VanDerWaalsContact CE2-OE1 3.31Å; W219-Q223 HydrophobicContact CE3-CG 3.83Å; W219-Q223 HydrophobicContact CG-CG 4.43Å; W219-Q223 HydrophobicContact CH2-CG 3.66Å; W219-Q223 HydrophobicContact CZ2-CG 3.58Å; W219-Q223 HydrophobicContact CZ3-CG 3.8Å; W219-Q223 WeakPolarHBondContact O-CG 3.44Å; W219-Q223 PolarHBondContact O-N 3.38Å; W219-Q223 PolarHBondContact O-NE2 3.17Å
220L55.7Low57.9Low60 Ų6077.6 Ų77.631%0.31443%0.431SS..Hα-helixtrans-60.7-37.7173.5-74.2173000111.9H216 T222 Q223 L228H216-L220 WeakPolarHBondContact O-CG 3.24Å; H216-L220 PolarHBondContact O-N 2.91Å; L220-T222 VanDerWaalsContact C-N 3.33Å; L220-Q223 PolarHBondContact O-N 3.22Å; L220-L228 HydrophobicContact CD2-CD1 3.71Å
221L59.2Low59.3Low115 Ų11579.6 Ų79.660%0.60243%0.431SS*.Hα-helixtrans-74.4-23.1175.7-67.8171.3000113.1T217 Q218 W219T217-L221 VanDerWaalsContact O-CG 3.32Å; T217-L221 WeakPolarHBondContact O-CG 3.48Å; T217-L221 PolarHBondContact O-N 2.89Å; Q218-L221 CarbonylContact O-C 3.47Å; Q218-L221 PolarHBondContact O-N 2.77Å; Q218-L221 VanDerWaalsContact O-N 3.15Å; W219-L221 VanDerWaalsContact C-N 3.28Å; W219-L221 PolarHBondContact O-N 2.74Å
222T65.1Low60.4Low94 Ų9479.1 Ų79.158%0.57742%0.416SS*.Hα-helixtrans-93.2-6.6174.770.10000112.7Q218 W219 L220Q218-T222 WeakPolarHBondContact O-CG2 3.29Å; Q218-T222 PolarHBondContact O-N 3.21Å; Q218-T222 PolarHBondContact O-OG1 3.39Å; W219-T222 WeakPolarHBondContact CA-OG1 3.46Å; W219-T222 CarbonylContact O-C 3.59Å; W219-T222 PolarHBondContact O-N 3.27Å; W219-T222 VanDerWaalsContact O-N 3.1Å; W219-T222 PolarHBondContact O-OG1 3.23Å; L220-T222 VanDerWaalsContact C-N 3.33Å
223Q61.7Low61.5Low31 Ų3179.5 Ų79.515%0.14541%0.405CS..SBendtrans-76.7134.4179.7-74.4-29.6-94.700110.1W219 L220 W225 Q227W219-Q223 HydrophobicContact CD2-CG 3.74Å; W219-Q223 VanDerWaalsContact CE2-NE2 3.3Å; W219-Q223 VanDerWaalsContact CE2-OE1 3.31Å; W219-Q223 HydrophobicContact CE3-CG 3.83Å; W219-Q223 HydrophobicContact CG-CG 4.43Å; W219-Q223 HydrophobicContact CH2-CG 3.66Å; W219-Q223 HydrophobicContact CZ2-CG 3.58Å; W219-Q223 HydrophobicContact CZ3-CG 3.8Å; W219-Q223 WeakPolarHBondContact O-CG 3.44Å; W219-Q223 PolarHBondContact O-N 3.38Å; W219-Q223 PolarHBondContact O-NE2 3.17Å; L220-Q223 PolarHBondContact O-N 3.22Å; Q223-W225 PolarHBondContact O-N 3.13Å; Q223-Q227 VanDerWaalsContact OE1-OE1 3.04Å
224N75.8Confident62.5Low72 Ų7278.3 Ų78.339%0.38540%0.399SS..  trans-62.1134.8163.5-177.9-14.5000108E226 Q227 L228N224-E226 PolarHBondContact O-N 3.33Å; N224-E226 VanDerWaalsContact O-N 3.14Å; N224-E226 PolarHBondContact OD1-N 2.86Å; N224-Q227 HydrophobicContact CB-CG 4.38Å; N224-Q227 WeakPolarHBondContact O-CB 3.32Å; N224-Q227 PolarHBondContact O-N 2.8Å; N224-L228 PolarHBondContact O-N 3.05Å
225W70.3Confident62.8Low16 Ų1680.7 Ų80.76%0.06141%0.409CS..Hα-helixtrans-55.2-32.2-178.2160-95.8000112.8V69 M71 M105 S109 Q223 Q227 L228 N229V69-W225 HydrophobicContact CB-CH2 4.07Å; V69-W225 HydrophobicContact CG1-CH2 4.41Å; V69-W225 WeakPolarHBondContact O-CH2 3.42Å; V69-W225 WeakPolarHBondContact O-CZ2 3.4Å; M71-W225 HydrophobicContact CE-CG 4.36Å; M105-W225 HydrophobicContact CB-CD2 4.41Å; M105-W225 HydrophobicContact CE-CD2 4.23Å; M105-W225 HydrophobicContact CE-CH2 4.07Å; M105-W225 HydrophobicContact CE-CZ2 3.14Å; M105-W225 HydrophobicContact SD-CZ2 4.43Å; S109-W225 WeakPolarHBondContact OG-CZ3 3.14Å; Q223-W225 PolarHBondContact O-N 3.13Å; W225-Q227 VanDerWaalsContact C-N 3.29Å; W225-Q227 PolarHBondContact O-N 3.49Å; W225-L228 HydrophobicContact CE3-CD2 4.01Å; W225-L228 HydrophobicContact CZ3-CD2 3.8Å; W225-L228 PolarHBondContact O-N 2.78Å; W225-N229 HydrophobicContact CH2-CB 4.49Å; W225-N229 HydrophobicContact CZ2-CB 3.91Å; W225-N229 VanDerWaalsContact O-CB 3.32Å; W225-N229 WeakPolarHBondContact O-CB 3.41Å; W225-N229 PolarHBondContact O-N 3.31Å
226E75.5Confident62.8Low114 Ų11480.3 Ų80.353%0.53340%0.402SS..Hα-helixtrans-56.9-41.7173.5-66-175.3156.500112.8M71 N224 A230M71-E226 HydrophobicContact CE-CG 4.19Å; N224-E226 PolarHBondContact O-N 3.33Å; N224-E226 VanDerWaalsContact O-N 3.14Å; N224-E226 PolarHBondContact OD1-N 2.86Å; E226-A230 VanDerWaalsContact O-CB 3.31Å; E226-A230 WeakPolarHBondContact O-CB 3.45Å; E226-A230 PolarHBondContact O-N 3.49Å
227Q72.1Confident63.3Low95 Ų9582 Ų8244%0.44441%0.412SS..Hα-helixtrans-69.9-37.7-179.5-63.5174.5-27.400111.3Q223 N224 W225 R231Q223-Q227 VanDerWaalsContact OE1-OE1 3.04Å; N224-Q227 HydrophobicContact CB-CG 4.38Å; N224-Q227 WeakPolarHBondContact O-CB 3.32Å; N224-Q227 PolarHBondContact O-N 2.8Å; W225-Q227 VanDerWaalsContact C-N 3.29Å; W225-Q227 PolarHBondContact O-N 3.49Å; Q227-R231 WeakPolarHBondContact O-CB 3.42Å; Q227-R231 PolarHBondContact O-N 3.14Å; Q227-R231 VanDerWaalsContact O-N 3.09Å
228L65.5Low63.6Low40 Ų4084.4 Ų84.421%0.20942%0.421CS..Hα-helixtrans-68.8-46.2177.5-168139000110.9L220 N224 W225 A230 R231 L232L220-L228 HydrophobicContact CD2-CD1 3.71Å; N224-L228 PolarHBondContact O-N 3.05Å; W225-L228 HydrophobicContact CE3-CD2 4.01Å; W225-L228 HydrophobicContact CZ3-CD2 3.8Å; W225-L228 PolarHBondContact O-N 2.78Å; L228-A230 PolarHBondContact O-N 2.64Å; L228-R231 PolarHBondContact O-N 2.96Å; L228-L232 HydrophobicContact CD2-CD1 3.68Å; L228-L232 HydrophobicContact CD2-CG 4.43Å; L228-L232 WeakPolarHBondContact O-CG 3.34Å; L228-L232 PolarHBondContact O-N 3.35Å
229N69Low63.3Low19 Ų1982.7 Ų82.710%0.10242%0.421CS..Hα-helixtrans-60.9-44.1175.6-174.324.1000112W225 R231 L232 K233W225-N229 HydrophobicContact CH2-CB 4.49Å; W225-N229 HydrophobicContact CZ2-CB 3.91Å; W225-N229 VanDerWaalsContact O-CB 3.32Å; W225-N229 WeakPolarHBondContact O-CB 3.41Å; W225-N229 PolarHBondContact O-N 3.31Å; N229-R231 PolarHBondContact O-N 2.82Å; N229-L232 PolarHBondContact O-N 2.97Å; N229-K233 WeakPolarHBondContact O-CG 3.47Å; N229-K233 PolarHBondContact O-N 3.27Å; N229-K233 WeakPolarHBondContact OD1-CE 3.21Å
230A72Confident62.5Low57 Ų5784 Ų8447%0.47143%0.434SS..Hα-helixtrans-62.3-42.517700000112.2E226 L228 K233 A234E226-A230 VanDerWaalsContact O-CB 3.31Å; E226-A230 WeakPolarHBondContact O-CB 3.45Å; E226-A230 PolarHBondContact O-N 3.49Å; L228-A230 PolarHBondContact O-N 2.64Å; A230-K233 PolarHBondContact O-N 3.35Å; A230-A234 WeakPolarHBondContact O-CB 3.3Å; A230-A234 PolarHBondContact O-N 3.02Å
231R62.2Low62.1Low147 Ų14789.9 Ų89.956%0.55546%0.457SS*.Hα-helixtrans-64.7-41.2176-88.5-174.6153.1106.8-5.2112.7Q227 L228 N229 A234 Q235Q227-R231 WeakPolarHBondContact O-CB 3.42Å; Q227-R231 PolarHBondContact O-N 3.14Å; Q227-R231 VanDerWaalsContact O-N 3.09Å; L228-R231 PolarHBondContact O-N 2.96Å; N229-R231 PolarHBondContact O-N 2.82Å; R231-A234 PolarHBondContact O-N 2.91Å; R231-Q235 PolarHBondContact O-N 3.25Å
232L61.8Low61.7Low82 Ų8292.8 Ų92.843%0.42947%0.465SS..Hα-helixtrans-61.7-48.9175.4-74173.4000110.7L228 N229 A234 Q235 F236L228-L232 HydrophobicContact CD2-CD1 3.68Å; L228-L232 HydrophobicContact CD2-CG 4.43Å; L228-L232 WeakPolarHBondContact O-CG 3.34Å; L228-L232 PolarHBondContact O-N 3.35Å; N229-L232 PolarHBondContact O-N 2.97Å; L232-A234 VanDerWaalsContact C-N 3.28Å; L232-A234 PolarHBondContact O-N 2.85Å; L232-Q235 PolarHBondContact O-N 2.82Å; L232-F236 WeakPolarHBondContact O-CD2 2.89Å; L232-F236 PolarHBondContact O-N 2.86Å; L232-F236 VanDerWaalsContact O-N 3.15Å
233K65.8Low61Low108 Ų10893.4 Ų93.447%0.4747%0.469SS..Hα-helixtrans-57.1-39.9175.5-73.6179.6179.2-177.60112.8N229 A230 F236 M237N229-K233 WeakPolarHBondContact O-CG 3.47Å; N229-K233 PolarHBondContact O-N 3.27Å; N229-K233 WeakPolarHBondContact OD1-CE 3.21Å; A230-K233 PolarHBondContact O-N 3.35Å; K233-F236 PolarHBondContact O-N 3Å; K233-M237 PolarHBondContact O-N 2.89Å; K233-M237 VanDerWaalsContact O-N 3.16Å
234A64.5Low60.3Low52 Ų5298.9 Ų98.943%0.4350%0.499SS..Hα-helixtrans-67-39.4178.900000113A230 R231 L232 F236 M237 I238A230-A234 WeakPolarHBondContact O-CB 3.3Å; A230-A234 PolarHBondContact O-N 3.02Å; R231-A234 PolarHBondContact O-N 2.91Å; L232-A234 VanDerWaalsContact C-N 3.28Å; L232-A234 PolarHBondContact O-N 2.85Å; A234-F236 VanDerWaalsContact C-N 3.32Å; A234-F236 PolarHBondContact O-N 3.44Å; A234-M237 PolarHBondContact O-N 3.22Å; A234-I238 WeakPolarHBondContact O-CG1 3.49Å; A234-I238 PolarHBondContact O-N 3.15Å
235Q56.8Low58.6Low130 Ų130104.5 Ų104.561%0.60754%0.536SS*.Hα-helixtrans-61.7-39.5173.4-82.1-88.19.800111.6R231 L232 I238 C239R231-Q235 PolarHBondContact O-N 3.25Å; L232-Q235 PolarHBondContact O-N 2.82Å; Q235-I238 PolarHBondContact O-N 3.1Å; Q235-C239 PolarHBondContact O-N 3.24Å
236F52.9Low58Low92 Ų92108.9 Ų108.940%0.40456%0.56SS.*Hα-helixtrans-65.1-39176.6-76.3-66.9000113.2L232 K233 A234 I238 C239 D240L232-F236 WeakPolarHBondContact O-CD2 2.89Å; L232-F236 PolarHBondContact O-N 2.86Å; L232-F236 VanDerWaalsContact O-N 3.15Å; K233-F236 PolarHBondContact O-N 3Å; A234-F236 VanDerWaalsContact C-N 3.32Å; A234-F236 PolarHBondContact O-N 3.44Å; F236-I238 PolarHBondContact O-N 2.7Å; F236-C239 PolarHBondContact O-N 2.85Å; F236-C239 VanDerWaalsContact O-N 3.17Å; F236-D240 PolarHBondContact O-N 3.12Å
237M56.5Low57.1Low138 Ų138108.6 Ų108.668%0.6856%0.561SS**Hα-helixtrans-67.6-22.4176.8-70.1-131.4142.200114.1K233 A234K233-M237 PolarHBondContact O-N 2.89Å; K233-M237 VanDerWaalsContact O-N 3.16Å; A234-M237 PolarHBondContact O-N 3.22Å
238I54.8Low56.3Low118 Ų118109.4 Ų109.461%0.60557%0.568SS**Hα-helixtrans-79.2-27.1176.2-65.4166.3000110.8A234 Q235 F236A234-I238 WeakPolarHBondContact O-CG1 3.49Å; A234-I238 PolarHBondContact O-N 3.15Å; Q235-I238 PolarHBondContact O-N 3.1Å; F236-I238 PolarHBondContact O-N 2.7Å
239C47.4Very low55.7Low78 Ų78113.5 Ų113.553%0.52759%0.589SS.*Hα-helixtrans-75.5-37.5174.7-72.20000112.7Q235 F236 K241 K242Q235-C239 PolarHBondContact O-N 3.24Å; F236-C239 PolarHBondContact O-N 2.85Å; F236-C239 VanDerWaalsContact O-N 3.17Å; C239-K241 VanDerWaalsContact C-N 3.3Å; C239-K241 PolarHBondContact O-N 3.24Å; C239-K242 PolarHBondContact O-N 3.2Å
240D47.1Very low54.9Low107 Ų107119.4 Ų119.457%0.57262%0.619SS**Hα-helixtrans-69.5-25.6179.4-70.4-26000113.2F236 K242 T243F236-D240 PolarHBondContact O-N 3.12Å; D240-K242 VanDerWaalsContact C-N 3.26Å; D240-K242 PolarHBondContact O-N 2.94Å; D240-T243 PolarHBondContact O-OG1 3.43Å
241K49.2Very low53.8Low183 Ų183123.5 Ų123.580%0.79663%0.629SS**THydrogen-bonded Turntrans-79.8-2.7175.4-73-166.9176.8-174.70114.5C239C239-K241 VanDerWaalsContact C-N 3.3Å; C239-K241 PolarHBondContact O-N 3.24Å
242K50.2Low53.1Low176 Ų176121.9 Ų121.977%0.76563%0.634SS**THydrogen-bonded Turntrans-99.95.6-178.9-130.9176.9-176.3179.60113.8C239 D240C239-K242 PolarHBondContact O-N 3.2Å; D240-K242 VanDerWaalsContact C-N 3.26Å; D240-K242 PolarHBondContact O-N 2.94Å
243T49.7Very low52.5Low107 Ų107124.9 Ų124.966%0.65665%0.65SS**SBendtrans-115.34179.246.90000114.7D240D240-T243 PolarHBondContact O-OG1 3.43Å
244D46.7Very low51.4Low146 Ų146126.3 Ų126.378%0.78167%0.665SS**  trans-111.730.4-178.8-79.9-15.3000114.2
245T40.7Very low50.2Low189 Ų189133.1 Ų133.1100%1.1669%0.687SS**  trans-139.80168.753.70000110.5

Retrieved 245 of 245 residues in 275.1 ms (Link to these results)

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