A0A5K4F3P6_SCHMA Loading...

Solanesyl diphosphate synthase 3, chloroplastic/mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4F3P6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 138 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
1M48.2Very low74.4Confident229 Ų229123.4 Ų123.4100%1.12867%0.667SS**  0103.30-171.6175.2-175.800106.8T3M1-T3 PolarHBondContact O-N 3.43Å
2L49.6Very low76.1Confident175 Ų175119.8 Ų119.892%0.91665%0.645SS**  trans-70.1109.7171.1-69.8170.2000105.9V4L2-V4 PolarHBondContact O-N 2.97Å
3T57.2Low77.7Confident117 Ų117116.5 Ų116.572%0.71863%0.628SS**PPolyproline II helixtrans-63.6117.216844.70000106.2M1 P5M1-T3 PolarHBondContact O-N 3.43Å; T3-P5 WeakPolarHBondContact O-CD 3.5Å; T3-P5 VanDerWaalsContact O-N 3.13Å
4V60.1Low79Confident128 Ų128109.6 Ų109.678%0.77659%0.59SS**PPolyproline II helixtrans-61.3117165.7-170.90000104.4L2 T6L2-V4 PolarHBondContact O-N 2.97Å; V4-T6 PolarHBondContact O-N 3.35Å; V4-T6 VanDerWaalsContact O-N 3.07Å
5P63.5Low80.2Confident104 Ų104106.6 Ų106.668%0.67557%0.572SS**PPolyproline II helixtrans-57.4123.3175.7-19.531.4000106.9T3 L7T3-P5 WeakPolarHBondContact O-CD 3.5Å; T3-P5 VanDerWaalsContact O-N 3.13Å; P5-L7 PolarHBondContact O-N 3.4Å
6T78.3Confident81.3Confident143 Ų143109.5 Ų109.588%0.87757%0.574SS**  trans-62.5108.4171.2-44.60000106.2V4 S8V4-T6 PolarHBondContact O-N 3.35Å; V4-T6 VanDerWaalsContact O-N 3.07Å; T6-S8 PolarHBondContact O-N 3.43Å
7L84.8Confident82.3Confident109 Ų109106.7 Ų106.757%0.57156%0.557SS**  trans-56.7136.4173.6-70.9172.8000107.9P5 H11 I12P5-L7 PolarHBondContact O-N 3.4Å; L7-H11 HydrophobicContact CB-CB 4.24Å; L7-H11 HydrophobicContact CD2-CB 4.34Å; L7-I12 HydrophobicContact CB-CG1 4.25Å
8S92.8Very high83.1Confident56 Ų56101.6 Ų101.639%0.39253%0.53SS..  trans-62.7152172.768.20000109.8T6 W10 H11 I12T6-S8 PolarHBondContact O-N 3.43Å; S8-W10 PolarHBondContact O-N 3.33Å; S8-W10 VanDerWaalsContact O-N 3.12Å; S8-H11 WeakPolarHBondContact O-CB 3.29Å; S8-H11 PolarHBondContact O-N 2.94Å; S8-H11 PolarHBondContact OG-ND1 3.2Å; S8-I12 PolarHBondContact O-N 3.25Å
9Q93.7Very high83.8Confident118 Ų11898.2 Ų98.255%0.55152%0.522SS*.Hα-helixtrans-52.5-37.2177.3-169.860.144.700111.8H11 I12 D13Q9-H11 VanDerWaalsContact C-N 3.31Å; Q9-H11 PolarHBondContact O-N 2.72Å; Q9-I12 WeakPolarHBondContact O-CB 3.48Å; Q9-I12 PolarHBondContact O-N 2.68Å; Q9-D13 PolarHBondContact NE2-OD1 2.87Å; Q9-D13 VanDerWaalsContact O-CG 3.25Å; Q9-D13 PolarHBondContact O-N 3.31Å
10W95.5Very high84.5Confident110 Ų11098 Ų9842%0.41752%0.516SS..Hα-helixtrans-56-39.7174.8179.891.2000113.8S8 N14 Q116 F117S8-W10 PolarHBondContact O-N 3.33Å; S8-W10 VanDerWaalsContact O-N 3.12Å; W10-N14 PolarHBondContact NE1-ND2 2.93Å; W10-N14 VanDerWaalsContact NE1-ND2 3.2Å; W10-N14 WeakPolarHBondContact O-CB 3.33Å; W10-N14 PolarHBondContact O-N 3.31Å; W10-N14 VanDerWaalsContact O-N 3.1Å; W10-N14 PolarHBondContact O-ND2 2.87Å; W10-Q116 HydrophobicContact CH2-CB 3.87Å; W10-Q116 HydrophobicContact CZ2-CB 3.84Å; W10-F117 HydrophobicContact CZ3-CE1 4.41Å; W10-F117 HydrophobicContact CZ3-CZ 4.49Å
11H94.5Very high85.2Confident68 Ų6894.7 Ų94.732%0.31550%0.498SS..Hα-helixtrans-68.6-39.6176.8-70.6100.1000111L7 S8 Q9 M15 F117L7-H11 HydrophobicContact CB-CB 4.24Å; L7-H11 HydrophobicContact CD2-CB 4.34Å; S8-H11 WeakPolarHBondContact O-CB 3.29Å; S8-H11 PolarHBondContact O-N 2.94Å; S8-H11 PolarHBondContact OG-ND1 3.2Å; Q9-H11 VanDerWaalsContact C-N 3.31Å; Q9-H11 PolarHBondContact O-N 2.72Å; H11-M15 WeakPolarHBondContact O-CB 3.44Å; H11-M15 WeakPolarHBondContact O-CG 3.09Å; H11-M15 PolarHBondContact O-N 3.15Å; H11-M15 VanDerWaalsContact O-N 3.08Å; H11-F117 AromaticContact CD2-CE1 3.73Å
12I94.8Very high87.5Confident80 Ų8085 Ų8541%0.4145%0.451SS..Hα-helixtrans-64.7-50.7179.2-62.3173.1000109.7L7 S8 Q9 N14 M15 Y16L7-I12 HydrophobicContact CB-CG1 4.25Å; S8-I12 PolarHBondContact O-N 3.25Å; Q9-I12 WeakPolarHBondContact O-CB 3.48Å; Q9-I12 PolarHBondContact O-N 2.68Å; I12-N14 PolarHBondContact O-N 3Å; I12-M15 PolarHBondContact O-N 3.47Å; I12-Y16 WeakPolarHBondContact O-CB 3.21Å; I12-Y16 PolarHBondContact O-N 3.34Å
13D96.8Very high89.7Confident78 Ų7878.7 Ų78.742%0.41743%0.428SS..Hα-helixtrans-62.3-42.7-178.3-63.5-17.1000111.6Q9 M15 Y16 E17Q9-D13 PolarHBondContact NE2-OD1 2.87Å; Q9-D13 VanDerWaalsContact O-CG 3.25Å; Q9-D13 PolarHBondContact O-N 3.31Å; D13-M15 PolarHBondContact O-N 3.06Å; D13-Y16 WeakPolarHBondContact O-CB 3.3Å; D13-Y16 PolarHBondContact O-N 3.2Å; D13-E17 PolarHBondContact O-N 3.15Å
14N96.6Very high91.6Very high19 Ų1977.2 Ų77.210%0.10241%0.414CS..Hα-helixtrans-68.2-35.3178.1-85.8-76.3000113.2W10 I12 F18 Q116 F117W10-N14 PolarHBondContact NE1-ND2 2.93Å; W10-N14 VanDerWaalsContact NE1-ND2 3.2Å; W10-N14 WeakPolarHBondContact O-CB 3.33Å; W10-N14 PolarHBondContact O-N 3.31Å; W10-N14 VanDerWaalsContact O-N 3.1Å; W10-N14 PolarHBondContact O-ND2 2.87Å; I12-N14 PolarHBondContact O-N 3Å; N14-F18 WeakPolarHBondContact O-CB 3.44Å; N14-F18 PolarHBondContact O-N 2.89Å; N14-Q116 PolarHBondContact OD1-NE2 3.18Å; N14-Q116 PolarHBondContact OD1-OE1 3.36Å; N14-Q116 VanDerWaalsContact OD1-OE1 3.11Å; N14-F117 HydrophobicContact CB-CE2 3.73Å; N14-F117 HydrophobicContact CB-CZ 3.64Å
15M96.2Very high93.3Very high65 Ų6571.1 Ų71.132%0.3238%0.377SS..Hα-helixtrans-73.4-33.3174.3-72.6-66.38200112.5H11 I12 D13 F18 G19 L114 F117H11-M15 WeakPolarHBondContact O-CB 3.44Å; H11-M15 WeakPolarHBondContact O-CG 3.09Å; H11-M15 PolarHBondContact O-N 3.15Å; H11-M15 VanDerWaalsContact O-N 3.08Å; I12-M15 PolarHBondContact O-N 3.47Å; D13-M15 PolarHBondContact O-N 3.06Å; M15-F18 HydrophobicContact CE-CB 3.83Å; M15-F18 HydrophobicContact CE-CD1 4.16Å; M15-F18 HydrophobicContact CE-CG 4.15Å; M15-F18 HydrophobicContact SD-CD1 4.48Å; M15-G19 PolarHBondContact O-N 3.49Å; M15-L114 HydrophobicContact CE-CD2 3.79Å; M15-F117 HydrophobicContact CE-CD2 3.71Å; M15-F117 HydrophobicContact CE-CE1 4.01Å; M15-F117 HydrophobicContact CE-CE2 3.05Å; M15-F117 HydrophobicContact CE-CG 4.47Å; M15-F117 HydrophobicContact CE-CZ 3.23Å; M15-F117 HydrophobicContact CG-CE1 3.99Å; M15-F117 HydrophobicContact CG-CE2 4.5Å; M15-F117 HydrophobicContact CG-CZ 3.66Å; M15-F117 HydrophobicContact SD-CE1 4.17Å; M15-F117 HydrophobicContact SD-CE2 4.24Å; M15-F117 HydrophobicContact SD-CZ 3.88Å
16Y97.7Very high94.7Very high153 Ų15369 Ų6960%0.636%0.357SS*.Hα-helixtrans-61.7-52.1170.9174.7-94.3000111.2I12 D13 F18 G19 K20I12-Y16 WeakPolarHBondContact O-CB 3.21Å; I12-Y16 PolarHBondContact O-N 3.34Å; D13-Y16 WeakPolarHBondContact O-CB 3.3Å; D13-Y16 PolarHBondContact O-N 3.2Å; Y16-F18 VanDerWaalsContact C-N 3.32Å; Y16-F18 PolarHBondContact O-N 3.32Å; Y16-G19 PolarHBondContact O-N 2.89Å; Y16-K20 HydrophobicContact CE1-CD 4.05Å; Y16-K20 WeakPolarHBondContact O-CB 3.22Å; Y16-K20 PolarHBondContact O-N 3.3Å
17E98.4Very high95.5Very high62 Ų6267.2 Ų67.229%0.2934%0.339SS..Hα-helixtrans-64-37178.5-71.1-58.814100111.9D13 K20 H21D13-E17 PolarHBondContact O-N 3.15Å; E17-K20 IonicContact OE1-NZ 3.37Å; E17-K20 PolarHBondContact OE1-NZ 3.2Å; E17-K20 IonicContact OE2-NZ 3.3Å; E17-K20 PolarHBondContact OE2-NZ 3.47Å; E17-H21 WeakPolarHBondContact O-CB 3.4Å; E17-H21 PolarHBondContact O-CD2 3.47Å; E17-H21 PolarHBondContact O-N 2.89Å; E17-H21 IonicContact OE2-CD2 2.69Å; E17-H21 IonicContact OE2-NE2 3.66Å
18F97.1Very high96.1Very high15 Ų1562.7 Ų62.77%0.06632%0.315CS..Hα-helixtrans-55.6-54.7170.2164.6-112000111.6N14 M15 Y16 K20 H21 L22 A110 C113 L114 L126N14-F18 WeakPolarHBondContact O-CB 3.44Å; N14-F18 PolarHBondContact O-N 2.89Å; M15-F18 HydrophobicContact CE-CB 3.83Å; M15-F18 HydrophobicContact CE-CD1 4.16Å; M15-F18 HydrophobicContact CE-CG 4.15Å; M15-F18 HydrophobicContact SD-CD1 4.48Å; Y16-F18 VanDerWaalsContact C-N 3.32Å; Y16-F18 PolarHBondContact O-N 3.32Å; F18-K20 PolarHBondContact O-N 2.99Å; F18-H21 PolarHBondContact O-N 2.86Å; F18-L22 HydrophobicContact CE1-CD2 4.31Å; F18-L22 HydrophobicContact CE2-CB 4.36Å; F18-L22 HydrophobicContact CE2-CD1 4.45Å; F18-L22 HydrophobicContact CE2-CD2 4.31Å; F18-L22 HydrophobicContact CZ-CD2 3.77Å; F18-L22 VanDerWaalsContact O-CB 3.3Å; F18-L22 WeakPolarHBondContact O-CB 3.32Å; F18-L22 PolarHBondContact O-N 3.28Å; F18-A110 HydrophobicContact CD2-CB 3.85Å; F18-A110 WeakPolarHBondContact CD2-O 3.37Å; F18-A110 HydrophobicContact CE2-CB 4.1Å; F18-C113 HydrophobicContact CB-CB 3.72Å; F18-L114 HydrophobicContact CD1-CD2 4.03Å; F18-L114 HydrophobicContact CD2-CD1 3.93Å; F18-L114 HydrophobicContact CD2-CD2 3.75Å; F18-L114 HydrophobicContact CD2-CG 3.51Å; F18-L114 HydrophobicContact CE1-CD2 4.12Å; F18-L114 HydrophobicContact CE2-CD1 3.41Å; F18-L114 VanDerWaalsContact CE2-CD1 3.41Å; F18-L114 HydrophobicContact CE2-CD2 3.85Å; F18-L114 HydrophobicContact CE2-CG 3.56Å; F18-L114 HydrophobicContact CG-CD2 3.84Å; F18-L114 HydrophobicContact CG-CG 4.1Å; F18-L114 HydrophobicContact CZ-CD1 3.88Å; F18-L114 HydrophobicContact CZ-CD2 4.02Å; F18-L114 HydrophobicContact CZ-CG 4.18Å; F18-L126 HydrophobicContact CE1-CB 4.46Å; F18-L126 HydrophobicContact CE1-CD1 3.95Å; F18-L126 HydrophobicContact CE1-CD2 4Å; F18-L126 HydrophobicContact CE1-CG 4.37Å; F18-L126 HydrophobicContact CZ-CB 3.96Å; F18-L126 HydrophobicContact CZ-CD1 4.27Å; F18-L126 HydrophobicContact CZ-CD2 4.05Å; F18-L126 HydrophobicContact CZ-CG 4.32Å
19G96.6Very high96.1Very high37 Ų3760.5 Ų60.538%0.38130%0.299SS..Hα-helixtrans-62.7-41.5-177.300000112.5M15 Y16 L22 G23M15-G19 PolarHBondContact O-N 3.49Å; Y16-G19 PolarHBondContact O-N 2.89Å; G19-L22 PolarHBondContact O-N 2.65Å; G19-G23 PolarHBondContact O-N 3.01Å
20K98.5Very high96Very high93 Ų9358.6 Ų58.640%0.40429%0.292SS..Hα-helixtrans-60.5-51.2175.2174.2-175.8160.2-1540111.7Y16 E17 F18 L22 G23 M24Y16-K20 HydrophobicContact CE1-CD 4.05Å; Y16-K20 WeakPolarHBondContact O-CB 3.22Å; Y16-K20 PolarHBondContact O-N 3.3Å; E17-K20 IonicContact OE1-NZ 3.37Å; E17-K20 PolarHBondContact OE1-NZ 3.2Å; E17-K20 IonicContact OE2-NZ 3.3Å; E17-K20 PolarHBondContact OE2-NZ 3.47Å; F18-K20 PolarHBondContact O-N 2.99Å; K20-L22 VanDerWaalsContact C-N 3.35Å; K20-L22 PolarHBondContact O-N 2.69Å; K20-G23 PolarHBondContact O-N 2.9Å; K20-M24 WeakPolarHBondContact O-CB 3.29Å; K20-M24 VanDerWaalsContact O-CG 3.25Å; K20-M24 WeakPolarHBondContact O-CG 3.48Å; K20-M24 PolarHBondContact O-N 3.42Å
21H97.7Very high95.9Very high30 Ų3053.9 Ų53.914%0.13928%0.276CS..Hα-helixtrans-64.5-40.8178.8-82.7-67.7000111.9E17 F18 A25 H106 A109 A110E17-H21 WeakPolarHBondContact O-CB 3.4Å; E17-H21 PolarHBondContact O-CD2 3.47Å; E17-H21 PolarHBondContact O-N 2.89Å; E17-H21 IonicContact OE2-CD2 2.69Å; E17-H21 IonicContact OE2-NE2 3.66Å; F18-H21 PolarHBondContact O-N 2.86Å; H21-A25 WeakPolarHBondContact O-CB 3.32Å; H21-A25 PolarHBondContact O-N 2.97Å; H21-H106 WeakPolarHBondContact CB-O 3.48Å; H21-H106 AromaticContact CE1-ND1 3.73Å; H21-H106 AromaticContact CG-ND1 3.92Å; H21-H106 AromaticContact ND1-CE1 3.69Å; H21-H106 AromaticContact ND1-CG 3.81Å; H21-H106 AromaticContact ND1-ND1 2.93Å; H21-H106 PolarHBondContact ND1-ND1 3.47Å; H21-H106 WeakPolarHBondContact O-CB 3.36Å; H21-A109 HydrophobicContact CB-CB 4.19Å; H21-A109 VanDerWaalsContact CE1-CB 3.45Å; H21-A109 WeakPolarHBondContact CE1-CB 3.38Å; H21-A109 VanDerWaalsContact ND1-CB 3.33Å; H21-A109 WeakPolarHBondContact ND1-CB 3.29Å; H21-A110 HydrophobicContact CB-CB 3.82Å
22L96.4Very high95.8Very high26 Ų2650.7 Ų50.714%0.13626%0.261CS..Hα-helixtrans-59.6-50.3174.8-171.171.8000111F18 G19 K20 M24 A25 F26 F107 A110 A130F18-L22 HydrophobicContact CE1-CD2 4.31Å; F18-L22 HydrophobicContact CE2-CB 4.36Å; F18-L22 HydrophobicContact CE2-CD1 4.45Å; F18-L22 HydrophobicContact CE2-CD2 4.31Å; F18-L22 HydrophobicContact CZ-CD2 3.77Å; F18-L22 VanDerWaalsContact O-CB 3.3Å; F18-L22 WeakPolarHBondContact O-CB 3.32Å; F18-L22 PolarHBondContact O-N 3.28Å; G19-L22 PolarHBondContact O-N 2.65Å; K20-L22 VanDerWaalsContact C-N 3.35Å; K20-L22 PolarHBondContact O-N 2.69Å; L22-M24 PolarHBondContact O-N 2.91Å; L22-A25 PolarHBondContact O-N 3.3Å; L22-F26 HydrophobicContact CD1-CD2 4.08Å; L22-F26 HydrophobicContact CD1-CE2 3.4Å; L22-F26 VanDerWaalsContact CD1-CE2 3.4Å; L22-F26 HydrophobicContact CD1-CZ 4.25Å; L22-F26 HydrophobicContact CD2-CE2 4.33Å; L22-F26 HydrophobicContact CG-CD2 4.01Å; L22-F26 HydrophobicContact CG-CE2 3.59Å; L22-F26 HydrophobicContact CG-CZ 4.29Å; L22-F26 WeakPolarHBondContact O-CD2 3.42Å; L22-F26 PolarHBondContact O-N 3.48Å; L22-F107 HydrophobicContact CD1-CD1 4.45Å; L22-F107 HydrophobicContact CD1-CE1 4.1Å; L22-A110 HydrophobicContact CB-CB 4.36Å; L22-A130 HydrophobicContact CD1-CB 3.67Å
23G96.3Very high95.6Very high41 Ų4148.4 Ų48.442%0.42325%0.249SC..Hα-helixtrans-60.7-44.9-18000000113G19 K20 A25 F26 Q27G19-G23 PolarHBondContact O-N 3.01Å; K20-G23 PolarHBondContact O-N 2.9Å; G23-A25 VanDerWaalsContact C-N 3.32Å; G23-A25 PolarHBondContact O-N 3.26Å; G23-F26 PolarHBondContact O-N 2.69Å; G23-Q27 PolarHBondContact O-N 3.13Å
24M97.4Very high95.2Very high87 Ų8744.7 Ų44.743%0.42923%0.229SC..Hα-helixtrans-57.9-45.8175.1-72.9-64-59.600111.6K20 L22 F26 Q27 L28 H106K20-M24 WeakPolarHBondContact O-CB 3.29Å; K20-M24 VanDerWaalsContact O-CG 3.25Å; K20-M24 WeakPolarHBondContact O-CG 3.48Å; K20-M24 PolarHBondContact O-N 3.42Å; L22-M24 PolarHBondContact O-N 2.91Å; M24-F26 VanDerWaalsContact C-N 3.31Å; M24-F26 PolarHBondContact O-N 3.34Å; M24-Q27 PolarHBondContact O-N 3.25Å; M24-L28 WeakPolarHBondContact O-CD1 3.36Å; M24-L28 WeakPolarHBondContact O-CG 3.12Å; M24-L28 PolarHBondContact O-N 2.87Å; M24-H106 HydrophobicContact CB-CB 4.24Å; M24-H106 WeakPolarHBondContact CB-ND1 3.4Å
25A95.5Very high94.8Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-65.4-37.2-17900000112.3H21 L22 G23 I29 A103 H106 F107H21-A25 WeakPolarHBondContact O-CB 3.32Å; H21-A25 PolarHBondContact O-N 2.97Å; L22-A25 PolarHBondContact O-N 3.3Å; G23-A25 VanDerWaalsContact C-N 3.32Å; G23-A25 PolarHBondContact O-N 3.26Å; A25-I29 WeakPolarHBondContact O-CG1 3.3Å; A25-I29 PolarHBondContact O-N 2.87Å; A25-I29 VanDerWaalsContact O-N 3.09Å; A25-A103 WeakPolarHBondContact CB-O 3.27Å; A25-H106 HydrophobicContact CB-CB 3.7Å; A25-F107 HydrophobicContact CB-CB 4.41Å; A25-F107 HydrophobicContact CB-CD1 4.05Å; A25-F107 HydrophobicContact CB-CD2 3.24Å; A25-F107 HydrophobicContact CB-CE1 4.09Å; A25-F107 HydrophobicContact CB-CE2 3.31Å; A25-F107 HydrophobicContact CB-CG 3.64Å; A25-F107 HydrophobicContact CB-CZ 3.74Å
26F93.7Very high94.2Very high58 Ų5844.7 Ų44.725%0.25423%0.232SC..Hα-helixtrans-63.9-48.8175.8-87.1-127.4000111.8L22 G23 M24 L28 I29 D30 F107 V129 F133L22-F26 HydrophobicContact CD1-CD2 4.08Å; L22-F26 HydrophobicContact CD1-CE2 3.4Å; L22-F26 VanDerWaalsContact CD1-CE2 3.4Å; L22-F26 HydrophobicContact CD1-CZ 4.25Å; L22-F26 HydrophobicContact CD2-CE2 4.33Å; L22-F26 HydrophobicContact CG-CD2 4.01Å; L22-F26 HydrophobicContact CG-CE2 3.59Å; L22-F26 HydrophobicContact CG-CZ 4.29Å; L22-F26 WeakPolarHBondContact O-CD2 3.42Å; L22-F26 PolarHBondContact O-N 3.48Å; G23-F26 PolarHBondContact O-N 2.69Å; M24-F26 VanDerWaalsContact C-N 3.31Å; M24-F26 PolarHBondContact O-N 3.34Å; F26-L28 VanDerWaalsContact C-N 3.3Å; F26-L28 PolarHBondContact O-N 3.06Å; F26-I29 PolarHBondContact O-N 3.46Å; F26-D30 PolarHBondContact O-N 3.44Å; F26-F107 HydrophobicContact CD2-CE1 4.05Å; F26-F107 AromaticContact CD2-CZ 3.82Å; F26-F107 HydrophobicContact CD2-CZ 3.82Å; F26-F107 AromaticContact CE2-CE1 3.84Å; F26-F107 HydrophobicContact CE2-CE1 3.84Å; F26-F107 AromaticContact CE2-CZ 3.97Å; F26-F107 HydrophobicContact CE2-CZ 3.97Å; F26-V129 HydrophobicContact CZ-CG1 4.34Å; F26-F133 AromaticContact CD1-CD1 3.69Å; F26-F133 HydrophobicContact CD1-CD1 3.69Å; F26-F133 HydrophobicContact CD1-CD2 4.48Å; F26-F133 AromaticContact CD1-CE1 3.68Å; F26-F133 HydrophobicContact CD1-CE1 3.68Å; F26-F133 HydrophobicContact CD1-CE2 4.5Å; F26-F133 HydrophobicContact CD1-CG 4.1Å; F26-F133 HydrophobicContact CD1-CZ 4.12Å; F26-F133 HydrophobicContact CD2-CB 4.38Å; F26-F133 HydrophobicContact CD2-CG 4.38Å; F26-F133 HydrophobicContact CE1-CB 4.4Å; F26-F133 AromaticContact CE1-CD1 3.35Å; F26-F133 HydrophobicContact CE1-CD1 3.35Å; F26-F133 AromaticContact CE1-CD2 3.43Å; F26-F133 HydrophobicContact CE1-CD2 3.43Å; F26-F133 VanDerWaalsContact CE1-CD2 3.43Å; F26-F133 AromaticContact CE1-CE1 3.21Å; F26-F133 HydrophobicContact CE1-CE1 3.21Å; F26-F133 AromaticContact CE1-CE2 3.32Å; F26-F133 HydrophobicContact CE1-CE2 3.32Å; F26-F133 AromaticContact CE1-CG 3.45Å; F26-F133 HydrophobicContact CE1-CG 3.45Å; F26-F133 VanDerWaalsContact CE1-CG 3.45Å; F26-F133 AromaticContact CE1-CZ 3.21Å; F26-F133 HydrophobicContact CE1-CZ 3.21Å; F26-F133 HydrophobicContact CE2-CB 3.85Å; F26-F133 HydrophobicContact CE2-CD1 4.29Å; F26-F133 AromaticContact CE2-CD2 3.84Å; F26-F133 HydrophobicContact CE2-CD2 3.84Å; F26-F133 HydrophobicContact CE2-CE2 4.48Å; F26-F133 AromaticContact CE2-CG 3.73Å; F26-F133 HydrophobicContact CE2-CG 3.73Å; F26-F133 HydrophobicContact CG-CD1 4.36Å; F26-F133 HydrophobicContact CZ-CB 3.91Å; F26-F133 AromaticContact CZ-CD1 3.71Å; F26-F133 HydrophobicContact CZ-CD1 3.71Å; F26-F133 AromaticContact CZ-CD2 3.04Å; F26-F133 HydrophobicContact CZ-CD2 3.04Å; F26-F133 AromaticContact CZ-CE1 3.93Å; F26-F133 HydrophobicContact CZ-CE1 3.93Å; F26-F133 AromaticContact CZ-CE2 3.32Å; F26-F133 HydrophobicContact CZ-CE2 3.32Å; F26-F133 AromaticContact CZ-CG 3.26Å; F26-F133 HydrophobicContact CZ-CG 3.26Å; F26-F133 AromaticContact CZ-CZ 3.77Å; F26-F133 HydrophobicContact CZ-CZ 3.77Å
27Q95.3Very high93Very high106 Ų10638.6 Ų38.650%0.49521%0.21SC..Hα-helixtrans-60.3-44179.3-171.359.255.100110.8G23 M24 I29 D30 D31G23-Q27 PolarHBondContact O-N 3.13Å; M24-Q27 PolarHBondContact O-N 3.25Å; Q27-I29 VanDerWaalsContact C-N 3.32Å; Q27-I29 PolarHBondContact O-N 3.2Å; Q27-D30 WeakPolarHBondContact O-CB 3.47Å; Q27-D30 PolarHBondContact O-N 3.27Å; Q27-D30 VanDerWaalsContact O-N 3.13Å; Q27-D31 PolarHBondContact NE2-OD1 3.16Å; Q27-D31 PolarHBondContact O-N 3.28Å
28L95.7Very high91.4Very high14 Ų1441.1 Ų41.17%0.07323%0.226CC..Hα-helixtrans-64.6-33.3179.1-68163.2000113.2M24 F26 V32 T99 L102 A103M24-L28 WeakPolarHBondContact O-CD1 3.36Å; M24-L28 WeakPolarHBondContact O-CG 3.12Å; M24-L28 PolarHBondContact O-N 2.87Å; F26-L28 VanDerWaalsContact C-N 3.3Å; F26-L28 PolarHBondContact O-N 3.06Å; L28-V32 VanDerWaalsContact O-CG2 3.25Å; L28-V32 WeakPolarHBondContact O-CG2 3.12Å; L28-V32 PolarHBondContact O-N 3.17Å; L28-V32 VanDerWaalsContact O-N 3.11Å; L28-T99 HydrophobicContact CB-CG2 4.09Å; L28-T99 HydrophobicContact CD2-CG2 3.77Å; L28-T99 WeakPolarHBondContact O-CG2 3.33Å; L28-L102 HydrophobicContact CD1-CB 4.13Å; L28-L102 HydrophobicContact CD1-CD2 3.91Å; L28-L102 HydrophobicContact CD1-CG 3.63Å; L28-L102 HydrophobicContact CD2-CD2 3.97Å; L28-L102 HydrophobicContact CD2-CG 4.49Å; L28-A103 HydrophobicContact CB-CB 3.7Å; L28-A103 HydrophobicContact CD1-CB 4.33Å
29I93.2Very high89.5Confident11 Ų1146.5 Ų46.56%0.05625%0.251CS..Hα-helixtrans-72.3-37.8173.1-67.6-59.6000111.2A25 F26 Q27 V32 L33 A103 F107A25-I29 WeakPolarHBondContact O-CG1 3.3Å; A25-I29 PolarHBondContact O-N 2.87Å; A25-I29 VanDerWaalsContact O-N 3.09Å; F26-I29 PolarHBondContact O-N 3.46Å; Q27-I29 VanDerWaalsContact C-N 3.32Å; Q27-I29 PolarHBondContact O-N 3.2Å; I29-V32 WeakPolarHBondContact O-CB 3.44Å; I29-V32 PolarHBondContact O-N 3.11Å; I29-L33 HydrophobicContact CG2-CD1 4.17Å; I29-L33 HydrophobicContact CG2-CG 4.36Å; I29-L33 WeakPolarHBondContact O-CG 3.33Å; I29-L33 PolarHBondContact O-N 3.35Å; I29-A103 HydrophobicContact CD1-CB 3.7Å; I29-A103 HydrophobicContact CG1-CB 3.92Å; I29-F107 HydrophobicContact CG1-CE2 3.94Å
30D91.7Very high87.5Confident77 Ų7749.3 Ų49.341%0.41227%0.271SS..Hα-helixtrans-61.1-46.8174.3-165.261.6000111.1F26 Q27 V32 L33 D34F26-D30 PolarHBondContact O-N 3.44Å; Q27-D30 WeakPolarHBondContact O-CB 3.47Å; Q27-D30 PolarHBondContact O-N 3.27Å; Q27-D30 VanDerWaalsContact O-N 3.13Å; D30-V32 VanDerWaalsContact C-N 3.25Å; D30-V32 PolarHBondContact O-N 2.94Å; D30-L33 PolarHBondContact O-N 3.45Å; D30-L33 VanDerWaalsContact O-N 3.09Å; D30-D34 PolarHBondContact O-N 2.64Å; D30-D34 VanDerWaalsContact O-N 3.13Å
31D93.6Very high85.5Confident12 Ų1251.1 Ų51.16%0.06429%0.285CS..Hα-helixtrans-56.3-39.8173.1-62.8-1.1000111.5Q27 F35 T56 G57 T99Q27-D31 PolarHBondContact NE2-OD1 3.16Å; Q27-D31 PolarHBondContact O-N 3.28Å; D31-F35 VanDerWaalsContact O-CD2 3.27Å; D31-F35 WeakPolarHBondContact O-CD2 3.37Å; D31-T56 VanDerWaalsContact CG-CB 3.47Å; D31-T56 WeakPolarHBondContact OD2-CB 3.23Å; D31-G57 PolarHBondContact OD2-N 3.5Å; D31-G57 VanDerWaalsContact OD2-N 3.13Å; D31-T99 HydrophobicContact CB-CG2 4.49Å
32V92.5Very high83.6Confident0 Ų052.1 Ų52.10%029%0.291CS..Hα-helixtrans-67.7-43.6176.7162.20000111.5L28 I29 D30 D34 F35 V36 V96 T99 R100L28-V32 VanDerWaalsContact O-CG2 3.25Å; L28-V32 WeakPolarHBondContact O-CG2 3.12Å; L28-V32 PolarHBondContact O-N 3.17Å; L28-V32 VanDerWaalsContact O-N 3.11Å; I29-V32 WeakPolarHBondContact O-CB 3.44Å; I29-V32 PolarHBondContact O-N 3.11Å; D30-V32 VanDerWaalsContact C-N 3.25Å; D30-V32 PolarHBondContact O-N 2.94Å; V32-D34 PolarHBondContact O-N 3.25Å; V32-F35 PolarHBondContact O-N 3.09Å; V32-V36 HydrophobicContact CG1-CG1 4.2Å; V32-V36 HydrophobicContact CG1-CG2 4.17Å; V32-V36 WeakPolarHBondContact O-CG2 3.19Å; V32-V36 PolarHBondContact O-N 3.07Å; V32-V36 VanDerWaalsContact O-N 3.15Å; V32-V96 HydrophobicContact CG1-CG1 4.18Å; V32-T99 HydrophobicContact CG2-CG2 3.62Å; V32-R100 HydrophobicContact CB-CG 4.45Å; V32-R100 HydrophobicContact CG1-CG 3.93Å; V32-R100 VanDerWaalsContact CG1-CZ 3.42Å; V32-R100 VanDerWaalsContact CG1-NH2 3.29Å; V32-R100 HydrophobicContact CG2-CG 3.73Å
33L90.4Very high81.8Confident32 Ų3254.6 Ų54.617%0.16832%0.323CS..Hα-helixtrans-60.2-36-178.1-75.3172.4000111.5I29 D30 F35 V36 T37 L42I29-L33 HydrophobicContact CG2-CD1 4.17Å; I29-L33 HydrophobicContact CG2-CG 4.36Å; I29-L33 WeakPolarHBondContact O-CG 3.33Å; I29-L33 PolarHBondContact O-N 3.35Å; D30-L33 PolarHBondContact O-N 3.45Å; D30-L33 VanDerWaalsContact O-N 3.09Å; L33-F35 PolarHBondContact O-N 3Å; L33-V36 HydrophobicContact CD2-CG2 4.49Å; L33-V36 PolarHBondContact O-N 3.33Å; L33-T37 WeakPolarHBondContact CD2-OG1 3.42Å; L33-T37 VanDerWaalsContact O-CB 3.3Å; L33-T37 WeakPolarHBondContact O-CB 3.49Å; L33-T37 PolarHBondContact O-N 3.13Å; L33-T37 PolarHBondContact O-OG1 3.2Å; L33-L42 WeakPolarHBondContact O-CD1 3.27Å
34D88.6Confident80.4Confident0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-57.7-26.9176-161.462.2000113.4D30 V32 K44 T46 G47 A48 D49D30-D34 PolarHBondContact O-N 2.64Å; D30-D34 VanDerWaalsContact O-N 3.13Å; V32-D34 PolarHBondContact O-N 3.25Å; D34-K44 WeakPolarHBondContact OD1-CE 3.17Å; D34-K44 IonicContact OD1-NZ 3.38Å; D34-K44 PolarHBondContact OD1-NZ 2.88Å; D34-T46 WeakPolarHBondContact O-CG2 3.41Å; D34-G47 PolarHBondContact O-N 3Å; D34-G47 VanDerWaalsContact OD2-C 3.28Å; D34-G47 WeakPolarHBondContact OD2-CA 3.46Å; D34-A48 PolarHBondContact OD1-N 3.19Å; D34-A48 PolarHBondContact OD2-N 3.45Å; D34-A48 VanDerWaalsContact OD2-N 3.13Å; D34-D49 WeakPolarHBondContact OD2-CB 3.49Å; D34-D49 PolarHBondContact OD2-N 2.9Å; D34-D49 VanDerWaalsContact OD2-N 3.11Å
35F88.4Confident79.1Confident23 Ų2353.6 Ų53.610%0.10131%0.309CS..Hα-helixtrans-101.9-28.5-177.7-75.6-96.6000114.9D31 V32 L33 L50 P58 V59 L87 V90 V96D31-F35 VanDerWaalsContact O-CD2 3.27Å; D31-F35 WeakPolarHBondContact O-CD2 3.37Å; V32-F35 PolarHBondContact O-N 3.09Å; L33-F35 PolarHBondContact O-N 3Å; F35-L50 HydrophobicContact CE1-CD1 4.01Å; F35-L50 HydrophobicContact CZ-CD1 4.11Å; F35-L50 HydrophobicContact CZ-CD2 4.24Å; F35-L50 HydrophobicContact CZ-CG 4.1Å; F35-P58 HydrophobicContact CD1-CB 4.4Å; F35-P58 HydrophobicContact CD2-CB 3.89Å; F35-P58 HydrophobicContact CD2-CG 3.67Å; F35-P58 HydrophobicContact CE1-CB 4.45Å; F35-P58 HydrophobicContact CE2-CB 3.94Å; F35-P58 HydrophobicContact CE2-CG 3.94Å; F35-P58 HydrophobicContact CG-CB 4.12Å; F35-P58 HydrophobicContact CG-CG 4.23Å; F35-P58 HydrophobicContact CZ-CB 4.24Å; F35-V59 HydrophobicContact CE1-CG2 4.22Å; F35-V59 HydrophobicContact CE2-CG2 4.26Å; F35-V59 HydrophobicContact CZ-CG2 3.46Å; F35-V59 VanDerWaalsContact CZ-CG2 3.46Å; F35-L87 HydrophobicContact CD1-CD2 4Å; F35-L87 HydrophobicContact CE1-CD2 3.9Å; F35-V90 HydrophobicContact CD1-CB 4.3Å; F35-V90 HydrophobicContact CD1-CG1 3.67Å; F35-V90 HydrophobicContact CE1-CB 4.11Å; F35-V90 HydrophobicContact CE1-CG1 3.85Å; F35-V90 HydrophobicContact CE1-CG2 3.95Å; F35-V90 HydrophobicContact CG-CG1 4.46Å; F35-V96 HydrophobicContact CB-CG2 4.02Å
36V84Confident78.2Confident62 Ų6255.4 Ų55.438%0.37632%0.32SS..Hα-helixtrans-100.2-20.1-172.3-57.90000114.3V32 L33 V96V32-V36 HydrophobicContact CG1-CG1 4.2Å; V32-V36 HydrophobicContact CG1-CG2 4.17Å; V32-V36 WeakPolarHBondContact O-CG2 3.19Å; V32-V36 PolarHBondContact O-N 3.07Å; V32-V36 VanDerWaalsContact O-N 3.15Å; L33-V36 HydrophobicContact CD2-CG2 4.49Å; L33-V36 PolarHBondContact O-N 3.33Å; V36-V96 HydrophobicContact CG1-CG1 3.58Å; V36-V96 HydrophobicContact CG1-CG2 4.44Å
37T72.7Confident77.6Confident24 Ų2452.7 Ų52.715%0.14731%0.308CS..SBendtrans-90.6129.4-171.3-47.30000109.7L33 N41 L42 T46L33-T37 WeakPolarHBondContact CD2-OG1 3.42Å; L33-T37 VanDerWaalsContact O-CB 3.3Å; L33-T37 WeakPolarHBondContact O-CB 3.49Å; L33-T37 PolarHBondContact O-N 3.13Å; L33-T37 PolarHBondContact O-OG1 3.2Å; T37-N41 HydrophobicContact CG2-CB 3.37Å; T37-L42 HydrophobicContact CG2-CB 4.33Å; T37-L42 HydrophobicContact CG2-CD1 4.07Å; T37-L42 HydrophobicContact CG2-CG 3.69Å; T37-T46 PolarHBondContact O-OG1 3.18Å
38D63.8Low77.1Confident116 Ų11647.8 Ų47.862%0.6229%0.286SS*.  trans-57.5143.3171.9-67.2-34.6000110.3A40 N41D38-A40 PolarHBondContact O-N 2.74Å; D38-N41 PolarHBondContact O-N 2.94Å
39E57.1Low76.8Confident128 Ų12848 Ų4860%0.59829%0.287SS*.Hα-helixtrans-47.6-34.2-179.1-57.3-175160.300112.9N41 G43E39-N41 VanDerWaalsContact C-N 3.29Å; E39-N41 PolarHBondContact O-N 3.39Å; E39-G43 PolarHBondContact O-N 3.32Å
40A54.6Low76.6Confident95 Ų9547.5 Ų47.579%0.78529%0.285SS*.Hα-helixtrans-61.9-29.2179.200000114.5D38D38-A40 PolarHBondContact O-N 2.74Å
41N56.5Low76.4Confident131 Ų13149.8 Ų49.870%0.70129%0.293SS*.Hα-helixtrans-96.7-23.5-173.8-74.3-32.6000113.2T37 D38 E39T37-N41 HydrophobicContact CG2-CB 3.37Å; D38-N41 PolarHBondContact O-N 2.94Å; E39-N41 VanDerWaalsContact C-N 3.29Å; E39-N41 PolarHBondContact O-N 3.39Å
42L58.3Low76.1Confident51 Ų5155.9 Ų55.927%0.26732%0.323SS..Hα-helixtrans-91-28.5-177.9-98.2167.5000113.7L33 T37 K44L33-L42 WeakPolarHBondContact O-CD1 3.27Å; T37-L42 HydrophobicContact CG2-CB 4.33Å; T37-L42 HydrophobicContact CG2-CD1 4.07Å; T37-L42 HydrophobicContact CG2-CG 3.69Å; L42-K44 HydrophobicContact CB-CG 3.98Å; L42-K44 HydrophobicContact CD1-CG 4.35Å; L42-K44 HydrophobicContact CD2-CG 4.22Å; L42-K44 HydrophobicContact CG-CG 4.43Å; L42-K44 PolarHBondContact O-N 2.67Å
43G59.1Low76Confident78 Ų7856.7 Ų56.780%0.80433%0.331SS*.SBendtrans70.75.9-167.300000114E39E39-G43 PolarHBondContact O-N 3.32Å
44K65.8Low76.1Confident60 Ų6059.4 Ų59.426%0.26135%0.345SS..SBendtrans-133.7151.9171.464.6174-175.9156.50109.7D34 L42 A48 D49D34-K44 WeakPolarHBondContact OD1-CE 3.17Å; D34-K44 IonicContact OD1-NZ 3.38Å; D34-K44 PolarHBondContact OD1-NZ 2.88Å; L42-K44 HydrophobicContact CB-CG 3.98Å; L42-K44 HydrophobicContact CD1-CG 4.35Å; L42-K44 HydrophobicContact CD2-CG 4.22Å; L42-K44 HydrophobicContact CG-CG 4.43Å; L42-K44 PolarHBondContact O-N 2.67Å; K44-A48 HydrophobicContact CB-CB 4.36Å; K44-A48 HydrophobicContact CD-CB 3.68Å; K44-A48 HydrophobicContact CG-CB 4.2Å; K44-D49 IonicContact NZ-OD1 3.87Å
45P70.2Confident76.4Confident47 Ų4761.2 Ų61.231%0.30536%0.36SS..  trans-59.4148.9176.223.6-32.7000111.2G47 A48 Q51P45-G47 PolarHBondContact O-N 2.69Å; P45-A48 WeakPolarHBondContact O-CB 3.24Å; P45-A48 PolarHBondContact O-N 3.26Å; P45-Q51 VanDerWaalsContact CG-OE1 3.26Å
46T77.1Confident76.8Confident39 Ų3961 Ų6124%0.23936%0.361CS..THydrogen-bonded Turntrans-60.8134.8172.7-55.90000109.7D34 T37D34-T46 WeakPolarHBondContact O-CG2 3.41Å; T37-T46 PolarHBondContact O-OG1 3.18Å
47G81Confident77.4Confident0 Ų058.4 Ų58.40%035%0.346CS..THydrogen-bonded Turntrans72.631.9-175.700000113.1D34 P45 D49 L50 Q51D34-G47 PolarHBondContact O-N 3Å; D34-G47 VanDerWaalsContact OD2-C 3.28Å; D34-G47 WeakPolarHBondContact OD2-CA 3.46Å; P45-G47 PolarHBondContact O-N 2.69Å; G47-D49 PolarHBondContact O-N 3.02Å; G47-L50 WeakPolarHBondContact O-CB 3.41Å; G47-L50 PolarHBondContact O-N 2.8Å; G47-Q51 PolarHBondContact O-N 2.87Å
48A84.7Confident78.5Confident4 Ų457.3 Ų57.33%0.03334%0.339CS..Hα-helixtrans-58.8-31.7176.900000111.6D34 K44 P45 L50 Q51 M52D34-A48 PolarHBondContact OD1-N 3.19Å; D34-A48 PolarHBondContact OD2-N 3.45Å; D34-A48 VanDerWaalsContact OD2-N 3.13Å; K44-A48 HydrophobicContact CB-CB 4.36Å; K44-A48 HydrophobicContact CD-CB 3.68Å; K44-A48 HydrophobicContact CG-CB 4.2Å; P45-A48 WeakPolarHBondContact O-CB 3.24Å; P45-A48 PolarHBondContact O-N 3.26Å; A48-L50 VanDerWaalsContact C-N 3.31Å; A48-L50 PolarHBondContact O-N 3.47Å; A48-Q51 PolarHBondContact O-N 2.97Å; A48-M52 WeakPolarHBondContact O-CG 3.43Å; A48-M52 PolarHBondContact O-N 3.23Å; A48-M52 VanDerWaalsContact O-N 3.11Å
49D89.1Confident80.1Confident18 Ų1851.8 Ų51.810%0.09631%0.31CS..Hα-helixtrans-62.7-41.6176-66.3-17.6000110.9D34 K44 G47 Q51 M52 G53 L54 T56D34-D49 WeakPolarHBondContact OD2-CB 3.49Å; D34-D49 PolarHBondContact OD2-N 2.9Å; D34-D49 VanDerWaalsContact OD2-N 3.11Å; K44-D49 IonicContact NZ-OD1 3.87Å; G47-D49 PolarHBondContact O-N 3.02Å; D49-Q51 VanDerWaalsContact C-N 3.34Å; D49-Q51 PolarHBondContact O-N 3.2Å; D49-M52 CarbonylContact O-C 3.52Å; D49-M52 WeakPolarHBondContact O-CA 3.46Å; D49-M52 PolarHBondContact O-N 3.34Å; D49-M52 VanDerWaalsContact O-N 3.07Å; D49-G53 PolarHBondContact O-N 2.94Å; D49-L54 CarbonylContact C-O 3.46Å; D49-L54 HydrophobicContact CB-CB 4.19Å; D49-L54 WeakPolarHBondContact O-CA 3.48Å; D49-L54 WeakPolarHBondContact O-CB 3.29Å; D49-L54 PolarHBondContact O-N 3.16Å; D49-T56 HydrophobicContact CB-CG2 4.18Å; D49-T56 WeakPolarHBondContact OD2-CG2 3.37Å
50L89.7Confident82Confident1 Ų150 Ų501%0.00530%0.304CS..Hα-helixtrans-62.2-41.8176.4-59.5179.3000111.6F35 G47 A48 M52 G53 V59 F77 T83 A86 L87F35-L50 HydrophobicContact CE1-CD1 4.01Å; F35-L50 HydrophobicContact CZ-CD1 4.11Å; F35-L50 HydrophobicContact CZ-CD2 4.24Å; F35-L50 HydrophobicContact CZ-CG 4.1Å; G47-L50 WeakPolarHBondContact O-CB 3.41Å; G47-L50 PolarHBondContact O-N 2.8Å; A48-L50 VanDerWaalsContact C-N 3.31Å; A48-L50 PolarHBondContact O-N 3.47Å; L50-M52 PolarHBondContact O-N 3.06Å; L50-G53 PolarHBondContact O-N 3.22Å; L50-V59 HydrophobicContact CD2-CG2 3.58Å; L50-F77 HydrophobicContact CD2-CD1 4.22Å; L50-F77 HydrophobicContact CD2-CE1 3.54Å; L50-F77 HydrophobicContact CD2-CE2 4.05Å; L50-F77 HydrophobicContact CD2-CZ 3.42Å; L50-F77 VanDerWaalsContact CD2-CZ 3.42Å; L50-T83 HydrophobicContact CB-CG2 3.84Å; L50-T83 HydrophobicContact CD1-CG2 4.16Å; L50-A86 HydrophobicContact CD1-CB 4.21Å; L50-L87 HydrophobicContact CD1-CD2 3.67Å; L50-L87 HydrophobicContact CD1-CG 3.64Å
51Q86.5Confident84.1Confident124 Ų12447.3 Ų47.358%0.57928%0.275SS*.Hα-helixtrans-63.1-27.3176.1-64.9-176.2-20.800112.5P45 G47 A48 D49 G53 T83P45-Q51 VanDerWaalsContact CG-OE1 3.26Å; G47-Q51 PolarHBondContact O-N 2.87Å; A48-Q51 PolarHBondContact O-N 2.97Å; D49-Q51 VanDerWaalsContact C-N 3.34Å; D49-Q51 PolarHBondContact O-N 3.2Å; Q51-G53 VanDerWaalsContact C-N 3.28Å; Q51-T83 HydrophobicContact CG-CG2 4.47Å
52M89Confident86.1Confident141 Ų14141.1 Ų41.170%0.69524%0.242SC*.THydrogen-bonded Turntrans-85.83.4173.8-65.1-173.8-170.100113.3A48 D49 L50 L54A48-M52 WeakPolarHBondContact O-CG 3.43Å; A48-M52 PolarHBondContact O-N 3.23Å; A48-M52 VanDerWaalsContact O-N 3.11Å; D49-M52 CarbonylContact O-C 3.52Å; D49-M52 WeakPolarHBondContact O-CA 3.46Å; D49-M52 PolarHBondContact O-N 3.34Å; D49-M52 VanDerWaalsContact O-N 3.07Å; L50-M52 PolarHBondContact O-N 3.06Å; M52-L54 VanDerWaalsContact C-N 3.3Å; M52-L54 HydrophobicContact CB-CD1 4.13Å; M52-L54 HydrophobicContact CB-CG 4.09Å
53G89.3Confident88Confident16 Ų1639 Ų3917%0.16523%0.232CC..THydrogen-bonded Turntrans81.19-177.900000114D49 L50 Q51D49-G53 PolarHBondContact O-N 2.94Å; L50-G53 PolarHBondContact O-N 3.22Å; Q51-G53 VanDerWaalsContact C-N 3.28Å
54L92.6Very high89.8Confident90 Ų9041.9 Ų41.947%0.47122%0.224SC..  trans-96.8132-171.5-58.1176.6000111.4D49 M52D49-L54 CarbonylContact C-O 3.46Å; D49-L54 HydrophobicContact CB-CB 4.19Å; D49-L54 WeakPolarHBondContact O-CA 3.48Å; D49-L54 WeakPolarHBondContact O-CB 3.29Å; D49-L54 PolarHBondContact O-N 3.16Å; M52-L54 VanDerWaalsContact C-N 3.3Å; M52-L54 HydrophobicContact CB-CD1 4.13Å; M52-L54 HydrophobicContact CB-CG 4.09Å
55A95Very high91.3Very high38 Ų3846.5 Ų46.531%0.31424%0.24SC..  trans-106.6112174.400000110.3V59 L60 L73 F77A55-V59 HydrophobicContact CB-CB 4.37Å; A55-V59 HydrophobicContact CB-CG1 4.37Å; A55-L60 HydrophobicContact CB-CD2 4.31Å; A55-L73 HydrophobicContact CB-CD2 3.18Å; A55-F77 HydrophobicContact CB-CE2 4.31Å; A55-F77 HydrophobicContact CB-CZ 4.23Å
56T95.8Very high92.6Very high19 Ų1946.6 Ų46.612%0.11724%0.235CC..  trans-106.9-177.7-177.857.70000111.5D31 D49 P58 V59 L60D31-T56 VanDerWaalsContact CG-CB 3.47Å; D31-T56 WeakPolarHBondContact OD2-CB 3.23Å; D49-T56 HydrophobicContact CB-CG2 4.18Å; D49-T56 WeakPolarHBondContact OD2-CG2 3.37Å; T56-P58 VanDerWaalsContact O-N 3.15Å; T56-V59 PolarHBondContact O-N 2.98Å; T56-L60 WeakPolarHBondContact O-CG 3.47Å; T56-L60 PolarHBondContact O-N 2.82Å
57G96.8Very high93.5Very high7 Ų749 Ų497%0.07225%0.251CS..Hα-helixtrans-39.1-55.3-173.800000115D31 V59 L60 F61 T99D31-G57 PolarHBondContact OD2-N 3.5Å; D31-G57 VanDerWaalsContact OD2-N 3.13Å; G57-V59 VanDerWaalsContact C-N 3.29Å; G57-V59 PolarHBondContact O-N 3.23Å; G57-L60 PolarHBondContact O-N 2.91Å; G57-F61 VanDerWaalsContact O-CD2 3.28Å; G57-F61 WeakPolarHBondContact O-CD2 3.29Å; G57-F61 PolarHBondContact O-N 3.3Å; G57-T99 PolarHBondContact O-OG1 3.02Å
58P96.5Very high94.2Very high0 Ų053.4 Ų53.40%027%0.271CS..Hα-helixtrans-59.1-38.1-176.8-28.237.8000113.8F35 T56 A62 V90 G95 V96 T99F35-P58 HydrophobicContact CD1-CB 4.4Å; F35-P58 HydrophobicContact CD2-CB 3.89Å; F35-P58 HydrophobicContact CD2-CG 3.67Å; F35-P58 HydrophobicContact CE1-CB 4.45Å; F35-P58 HydrophobicContact CE2-CB 3.94Å; F35-P58 HydrophobicContact CE2-CG 3.94Å; F35-P58 HydrophobicContact CG-CB 4.12Å; F35-P58 HydrophobicContact CG-CG 4.23Å; F35-P58 HydrophobicContact CZ-CB 4.24Å; T56-P58 VanDerWaalsContact O-N 3.15Å; P58-A62 VanDerWaalsContact O-CB 3.29Å; P58-A62 WeakPolarHBondContact O-CB 3.5Å; P58-A62 PolarHBondContact O-N 3.38Å; P58-V90 HydrophobicContact CB-CG1 3.88Å; P58-G95 WeakPolarHBondContact O-CA 3.39Å; P58-V96 HydrophobicContact CB-CG2 4.06Å; P58-V96 HydrophobicContact CG-CG2 4.34Å; P58-T99 WeakPolarHBondContact CA-OG1 3.47Å; P58-T99 WeakPolarHBondContact CD-OG1 3.35Å; P58-T99 HydrophobicContact CG-CG2 4.39Å
59V97.2Very high94.8Very high0 Ų053.2 Ų53.20%027%0.27CS..Hα-helixtrans-72.3-43.2179.2-166.30000111.1F35 L50 A55 T56 G57 F61 A62 A63 L69 L73 F77 V90F35-V59 HydrophobicContact CE1-CG2 4.22Å; F35-V59 HydrophobicContact CE2-CG2 4.26Å; F35-V59 HydrophobicContact CZ-CG2 3.46Å; F35-V59 VanDerWaalsContact CZ-CG2 3.46Å; L50-V59 HydrophobicContact CD2-CG2 3.58Å; A55-V59 HydrophobicContact CB-CB 4.37Å; A55-V59 HydrophobicContact CB-CG1 4.37Å; T56-V59 PolarHBondContact O-N 2.98Å; G57-V59 VanDerWaalsContact C-N 3.29Å; G57-V59 PolarHBondContact O-N 3.23Å; V59-F61 VanDerWaalsContact C-N 3.33Å; V59-F61 PolarHBondContact O-N 2.69Å; V59-A62 PolarHBondContact O-N 2.98Å; V59-A63 WeakPolarHBondContact O-CB 3.4Å; V59-A63 PolarHBondContact O-N 3.28Å; V59-L69 HydrophobicContact CG1-CD2 4.41Å; V59-L73 HydrophobicContact CG1-CD2 3.76Å; V59-F77 HydrophobicContact CG1-CZ 4.22Å; V59-V90 HydrophobicContact CB-CG2 4.48Å; V59-V90 HydrophobicContact CG2-CG2 4.25Å
60L97.6Very high95.2Very high92 Ų9255.9 Ų55.948%0.48228%0.284SS..Hα-helixtrans-64.1-39.2-179.3-64.5177.2000111.6A55 T56 G57A55-L60 HydrophobicContact CB-CD2 4.31Å; T56-L60 WeakPolarHBondContact O-CG 3.47Å; T56-L60 PolarHBondContact O-N 2.82Å; G57-L60 PolarHBondContact O-N 2.91Å
61F98.2Very high95.5Very high38 Ų3858.3 Ų58.317%0.16730%0.304CS..Hα-helixtrans-70.2-40.7172.8-79.2-65.1000112.4G57 V59 A63 Q64 Q98 T99 L102G57-F61 VanDerWaalsContact O-CD2 3.28Å; G57-F61 WeakPolarHBondContact O-CD2 3.29Å; G57-F61 PolarHBondContact O-N 3.3Å; V59-F61 VanDerWaalsContact C-N 3.33Å; V59-F61 PolarHBondContact O-N 2.69Å; F61-A63 VanDerWaalsContact C-N 3.25Å; F61-A63 PolarHBondContact O-N 3.33Å; F61-Q64 WeakPolarHBondContact O-CB 3.25Å; F61-Q64 PolarHBondContact O-N 3.03Å; F61-Q98 HydrophobicContact CB-CB 4.05Å; F61-Q98 HydrophobicContact CD1-CB 3.71Å; F61-Q98 HydrophobicContact CD1-CG 4.32Å; F61-Q98 HydrophobicContact CD2-CB 3.81Å; F61-Q98 HydrophobicContact CE1-CB 4.04Å; F61-Q98 HydrophobicContact CE2-CB 4.14Å; F61-Q98 HydrophobicContact CG-CB 3.58Å; F61-Q98 HydrophobicContact CG-CG 4.47Å; F61-Q98 HydrophobicContact CZ-CB 4.25Å; F61-T99 WeakPolarHBondContact CD2-OG1 3.46Å; F61-L102 HydrophobicContact CE2-CD2 4.2Å; F61-L102 HydrophobicContact CZ-CD2 4.09Å
62A97.9Very high96Very high0 Ų052.8 Ų52.80%028%0.279CS..Hα-helixtrans-59.4-37.6174.700000112.1P58 V59 Q64 R65 Y66 L69 V90 S93P58-A62 VanDerWaalsContact O-CB 3.29Å; P58-A62 WeakPolarHBondContact O-CB 3.5Å; P58-A62 PolarHBondContact O-N 3.38Å; V59-A62 PolarHBondContact O-N 2.98Å; A62-Q64 PolarHBondContact O-N 3.04Å; A62-R65 PolarHBondContact O-N 3.17Å; A62-Y66 PolarHBondContact O-N 3.11Å; A62-L69 VanDerWaalsContact C-CD1 3.49Å; A62-L69 HydrophobicContact CB-CD1 3.5Å; A62-L69 VanDerWaalsContact CB-CD1 3.5Å; A62-V90 HydrophobicContact CB-CB 4.42Å; A62-V90 HydrophobicContact CB-CG2 3.78Å; A62-S93 VanDerWaalsContact CB-OG 3.32Å; A62-S93 WeakPolarHBondContact CB-OG 3.35Å
63A98Very high96.3Very high8 Ų847.7 Ų47.77%0.06625%0.254CS..Hα-helixtrans-65.1-24179.400000113.8V59 F61 R65 Y66 L69 L73V59-A63 WeakPolarHBondContact O-CB 3.4Å; V59-A63 PolarHBondContact O-N 3.28Å; F61-A63 VanDerWaalsContact C-N 3.25Å; F61-A63 PolarHBondContact O-N 3.33Å; A63-R65 VanDerWaalsContact C-N 3.3Å; A63-Y66 CarbonylContact O-C 3.49Å; A63-L69 HydrophobicContact CB-CB 3.8Å; A63-L69 HydrophobicContact CB-CD1 4.18Å; A63-L73 HydrophobicContact CB-CD1 3.96Å
64Q97.1Very high96.6Very high137 Ų13754.2 Ų54.264%0.6428%0.284SS*.Hα-helixtrans-67.1-33.9172.3-61.9177.812.100111.7F61 A62F61-Q64 WeakPolarHBondContact O-CB 3.25Å; F61-Q64 PolarHBondContact O-N 3.03Å; A62-Q64 PolarHBondContact O-N 3.04Å
65R96.9Very high96.8Very high158 Ų15853.9 Ų53.960%0.59628%0.277SS*.Hα-helixtrans-88.3-34.8179-177.4171.8177.9158.2-1.7112.7A62 A63 P67A62-R65 PolarHBondContact O-N 3.17Å; A63-R65 VanDerWaalsContact C-N 3.3Å; R65-P67 WeakPolarHBondContact O-CD 3.41Å
66Y97.9Very high96.8Very high49 Ų4958.5 Ų58.519%0.19229%0.292CS..  trans-121.384.8-177.5-60.2-74.6000110.1A62 A63 E68 L69 L89 Q92A62-Y66 PolarHBondContact O-N 3.11Å; A63-Y66 CarbonylContact O-C 3.49Å; Y66-E68 PolarHBondContact O-N 2.83Å; Y66-L69 WeakPolarHBondContact O-CB 3.49Å; Y66-L69 PolarHBondContact O-N 3.27Å; Y66-L89 HydrophobicContact CD1-CD2 3.84Å; Y66-L89 HydrophobicContact CD2-CB 4.31Å; Y66-L89 HydrophobicContact CD2-CD2 4.17Å; Y66-L89 HydrophobicContact CE1-CD2 4.27Å; Y66-L89 HydrophobicContact CG-CD2 3.79Å; Y66-Q92 HydrophobicContact CE2-CB 4.28Å; Y66-Q92 PolarHBondContact OH-O 3.25Å
67P96.3Very high96.7Very high88 Ų8858.4 Ų58.457%0.57129%0.29SS*.THydrogen-bonded Turntrans-58.3-17.7-177.1-27.435.6000115R65 L69 N70R65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-L69 PolarHBondContact O-N 3.07Å; P67-N70 VanDerWaalsContact O-CB 3.25Å; P67-N70 WeakPolarHBondContact O-CB 3.49Å; P67-N70 PolarHBondContact O-N 3.11Å; P67-N70 PolarHBondContact O-ND2 3.13Å
68E95.6Very high96.6Very high93 Ų9362.2 Ų62.244%0.43532%0.316SS..THydrogen-bonded Turntrans-60.6-28.1171.963.5177.3-14200113.3Y66 N70 A71 R85 L89Y66-E68 PolarHBondContact O-N 2.83Å; E68-N70 PolarHBondContact O-N 2.95Å; E68-A71 PolarHBondContact O-N 3.2Å; E68-A71 VanDerWaalsContact O-N 3.16Å; E68-R85 IonicContact OE1-CZ 3.81Å; E68-R85 VanDerWaalsContact OE1-CZ 3.23Å; E68-R85 IonicContact OE1-NE 3.23Å; E68-R85 PolarHBondContact OE1-NE 2.92Å; E68-R85 IonicContact OE1-NH2 2.72Å; E68-R85 PolarHBondContact OE1-NH2 3.29Å; E68-R85 IonicContact OE2-NH2 3.2Å; E68-L89 HydrophobicContact CG-CD1 3.85Å; E68-L89 WeakPolarHBondContact OE1-CD1 3.41Å; E68-L89 WeakPolarHBondContact OE1-CD2 3.41Å
69L97.2Very high96.5Very high0 Ų067 Ų670%034%0.34CS..Hα-helixtrans-57.5-32.3172-83168.1000111.3V59 A62 A63 Y66 P67 A71 I72 L73 A86 L89V59-L69 HydrophobicContact CG1-CD2 4.41Å; A62-L69 VanDerWaalsContact C-CD1 3.49Å; A62-L69 HydrophobicContact CB-CD1 3.5Å; A62-L69 VanDerWaalsContact CB-CD1 3.5Å; A63-L69 HydrophobicContact CB-CB 3.8Å; A63-L69 HydrophobicContact CB-CD1 4.18Å; Y66-L69 WeakPolarHBondContact O-CB 3.49Å; Y66-L69 PolarHBondContact O-N 3.27Å; P67-L69 PolarHBondContact O-N 3.07Å; L69-A71 PolarHBondContact O-N 3.23Å; L69-I72 HydrophobicContact CD2-CD1 4.29Å; L69-I72 CarbonylContact O-C 3.58Å; L69-I72 WeakPolarHBondContact O-CA 3.32Å; L69-I72 WeakPolarHBondContact O-CB 3.45Å; L69-I72 PolarHBondContact O-N 3.32Å; L69-L73 WeakPolarHBondContact O-CB 3.35Å; L69-L73 VanDerWaalsContact O-CG 3.23Å; L69-L73 WeakPolarHBondContact O-CG 3.45Å; L69-L73 PolarHBondContact O-N 2.97Å; L69-A86 HydrophobicContact CD2-CB 3.93Å; L69-L89 HydrophobicContact CD1-CB 4Å; L69-L89 HydrophobicContact CD1-CD1 4.29Å; L69-L89 HydrophobicContact CD2-CB 4.31Å; L69-L89 HydrophobicContact CD2-CD1 3.79Å; L69-L89 HydrophobicContact CG-CB 4.2Å; L69-L89 HydrophobicContact CG-CD1 3.62Å
70N97.2Very high96.4Very high75 Ų7575.1 Ų75.140%0.40138%0.384SS..Hα-helixtrans-58.4-36.5-179.8-63.1-45.2000112.2P67 E68 I72 L73 L74P67-N70 VanDerWaalsContact O-CB 3.25Å; P67-N70 WeakPolarHBondContact O-CB 3.49Å; P67-N70 PolarHBondContact O-N 3.11Å; P67-N70 PolarHBondContact O-ND2 3.13Å; E68-N70 PolarHBondContact O-N 2.95Å; N70-I72 VanDerWaalsContact C-N 3.35Å; N70-L73 PolarHBondContact O-N 3.19Å; N70-L74 WeakPolarHBondContact O-CB 3.49Å; N70-L74 VanDerWaalsContact O-CG 3.26Å; N70-L74 WeakPolarHBondContact O-CG 3.36Å; N70-L74 PolarHBondContact O-N 3.49Å
71A97.1Very high96.2Very high52 Ų5272.5 Ų72.543%0.4338%0.38SS..Hα-helixtrans-70.3-32.8176.900000112.3E68 L69 R75E68-A71 PolarHBondContact O-N 3.2Å; E68-A71 VanDerWaalsContact O-N 3.16Å; L69-A71 PolarHBondContact O-N 3.23Å; A71-R75 VanDerWaalsContact C-NH1 3.29Å; A71-R75 WeakPolarHBondContact O-CG 3.43Å; A71-R75 PolarHBondContact O-NH1 3.11Å
72I97Very high96.1Very high8 Ų871.1 Ų71.14%0.04137%0.374CS..Hα-helixtrans-70.7-43.9174.3-63.4170.4000110.1L69 N70 R75 Q76 F77 D82 R85L69-I72 HydrophobicContact CD2-CD1 4.29Å; L69-I72 CarbonylContact O-C 3.58Å; L69-I72 WeakPolarHBondContact O-CA 3.32Å; L69-I72 WeakPolarHBondContact O-CB 3.45Å; L69-I72 PolarHBondContact O-N 3.32Å; N70-I72 VanDerWaalsContact C-N 3.35Å; I72-R75 VanDerWaalsContact O-CG 3.24Å; I72-R75 WeakPolarHBondContact O-CG 3.41Å; I72-R75 PolarHBondContact O-N 2.86Å; I72-Q76 PolarHBondContact O-N 3.28Å; I72-F77 HydrophobicContact CG2-CD1 3.28Å; I72-F77 HydrophobicContact CG2-CE1 3.6Å; I72-F77 HydrophobicContact CG2-CG 4.09Å; I72-F77 PolarHBondContact O-N 3.43Å; I72-D82 HydrophobicContact CG2-CB 3.91Å; I72-R85 HydrophobicContact CD1-CB 4.31Å; I72-R85 HydrophobicContact CD1-CG 3.97Å
73L95.4Very high95.8Very high34 Ų3472.2 Ų72.218%0.17838%0.381CS..Hα-helixtrans-60.5-47.6178.2-70.2179.3000112.4A55 V59 A63 L69 N70 R75 Q76 F77A55-L73 HydrophobicContact CB-CD2 3.18Å; V59-L73 HydrophobicContact CG1-CD2 3.76Å; A63-L73 HydrophobicContact CB-CD1 3.96Å; L69-L73 WeakPolarHBondContact O-CB 3.35Å; L69-L73 VanDerWaalsContact O-CG 3.23Å; L69-L73 WeakPolarHBondContact O-CG 3.45Å; L69-L73 PolarHBondContact O-N 2.97Å; N70-L73 PolarHBondContact O-N 3.19Å; L73-R75 PolarHBondContact O-N 3.12Å; L73-Q76 PolarHBondContact O-N 3.01Å; L73-F77 HydrophobicContact CD2-CE1 4.37Å; L73-F77 HydrophobicContact CD2-CE2 4.2Å; L73-F77 HydrophobicContact CD2-CZ 3.6Å
74L95.6Very high95.6Very high153 Ų15377.7 Ų77.780%0.80141%0.405SS*.Hα-helixtrans-60.9-27.9-178.7-76.9170.4000113.2N70N70-L74 WeakPolarHBondContact O-CB 3.49Å; N70-L74 VanDerWaalsContact O-CG 3.26Å; N70-L74 WeakPolarHBondContact O-CG 3.36Å; N70-L74 PolarHBondContact O-N 3.49Å
75R95.6Very high95.5Very high83 Ų8375.1 Ų75.131%0.31339%0.389SS..THydrogen-bonded Turntrans-99.59.5176.470.8-176.4176.1-112.813.5113.6A71 I72 L73 F77 S78 D82A71-R75 VanDerWaalsContact C-NH1 3.29Å; A71-R75 WeakPolarHBondContact O-CG 3.43Å; A71-R75 PolarHBondContact O-NH1 3.11Å; I72-R75 VanDerWaalsContact O-CG 3.24Å; I72-R75 WeakPolarHBondContact O-CG 3.41Å; I72-R75 PolarHBondContact O-N 2.86Å; L73-R75 PolarHBondContact O-N 3.12Å; R75-F77 VanDerWaalsContact C-N 3.25Å; R75-F77 PolarHBondContact O-N 3.09Å; R75-S78 WeakPolarHBondContact O-CB 3.48Å; R75-S78 PolarHBondContact O-N 3.13Å; R75-S78 VanDerWaalsContact O-N 3.17Å; R75-S78 PolarHBondContact O-OG 2.92Å; R75-D82 IonicContact CZ-OD1 3.68Å; R75-D82 IonicContact CZ-OD2 3.48Å; R75-D82 IonicContact NE-OD1 2.67Å; R75-D82 PolarHBondContact NE-OD1 3.48Å; R75-D82 IonicContact NE-OD2 3.21Å; R75-D82 PolarHBondContact NE-OD2 2.97Å; R75-D82 IonicContact NH2-OD1 2.81Å; R75-D82 PolarHBondContact NH2-OD1 3.27Å; R75-D82 IonicContact NH2-OD2 2.68Å
76Q95.3Very high95.4Very high135 Ų13567.6 Ų67.663%0.63136%0.361SS*.THydrogen-bonded Turntrans52.343176.2-59.2173.246.800112.8I72 L73 S78I72-Q76 PolarHBondContact O-N 3.28Å; L73-Q76 PolarHBondContact O-N 3.01Å; Q76-S78 PolarHBondContact O-N 3.06Å; Q76-S78 VanDerWaalsContact O-N 3.16Å
77F94.5Very high95.1Very high16 Ų1666.9 Ų66.97%0.0736%0.36CS..THydrogen-bonded Turntrans58.128.6176.9-44.3-92000114.3L50 A55 V59 I72 L73 R75 L79 D82 A86L50-F77 HydrophobicContact CD2-CD1 4.22Å; L50-F77 HydrophobicContact CD2-CE1 3.54Å; L50-F77 HydrophobicContact CD2-CE2 4.05Å; L50-F77 HydrophobicContact CD2-CZ 3.42Å; L50-F77 VanDerWaalsContact CD2-CZ 3.42Å; A55-F77 HydrophobicContact CB-CE2 4.31Å; A55-F77 HydrophobicContact CB-CZ 4.23Å; V59-F77 HydrophobicContact CG1-CZ 4.22Å; I72-F77 HydrophobicContact CG2-CD1 3.28Å; I72-F77 HydrophobicContact CG2-CE1 3.6Å; I72-F77 HydrophobicContact CG2-CG 4.09Å; I72-F77 PolarHBondContact O-N 3.43Å; L73-F77 HydrophobicContact CD2-CE1 4.37Å; L73-F77 HydrophobicContact CD2-CE2 4.2Å; L73-F77 HydrophobicContact CD2-CZ 3.6Å; R75-F77 VanDerWaalsContact C-N 3.25Å; R75-F77 PolarHBondContact O-N 3.09Å; F77-L79 PolarHBondContact O-N 3.2Å; F77-D82 VanDerWaalsContact C-OD2 3.26Å; F77-D82 WeakPolarHBondContact CA-OD2 3.25Å; F77-D82 HydrophobicContact CB-CB 3.98Å; F77-A86 HydrophobicContact CD1-CB 4.01Å; F77-A86 HydrophobicContact CE1-CB 3.65Å
78S93.7Very high95Very high88 Ų8866.6 Ų66.662%0.61535%0.351SS*.  trans-79.3-7.9-171.954.90000116R75 Q76 D82R75-S78 WeakPolarHBondContact O-CB 3.48Å; R75-S78 PolarHBondContact O-N 3.13Å; R75-S78 VanDerWaalsContact O-N 3.17Å; R75-S78 PolarHBondContact O-OG 2.92Å; Q76-S78 PolarHBondContact O-N 3.06Å; Q76-S78 VanDerWaalsContact O-N 3.16Å; S78-D82 PolarHBondContact N-OD2 3Å
79L95.3Very high95.1Very high99 Ų9962.2 Ų62.252%0.51833%0.331SS..SBendtrans-98.3150.3176.6-59.2179.2000111.7F77 G81 D82F77-L79 PolarHBondContact O-N 3.2Å; L79-G81 PolarHBondContact O-N 3.26Å; L79-D82 PolarHBondContact N-OD2 3.42Å; L79-D82 WeakPolarHBondContact O-CB 3.28Å; L79-D82 VanDerWaalsContact O-CG 3.24Å; L79-D82 PolarHBondContact O-N 2.9Å
80D94.3Very high94.9Very high171 Ų17162.4 Ų62.491%0.91433%0.332SS*.THydrogen-bonded Turntrans-54.2130.2174.1-65.9-18.3000110.9D82D80-D82 VanDerWaalsContact C-N 3.34Å
81G94.2Very high94.7Very high38 Ų3866.9 Ų66.939%0.39235%0.348SS..THydrogen-bonded Turntrans86.8-7-178.900000115.1L79 E84 R85L79-G81 PolarHBondContact O-N 3.26Å; G81-E84 VanDerWaalsContact C-OE2 3.22Å; G81-E84 WeakPolarHBondContact CA-OE2 3.26Å; G81-E84 PolarHBondContact O-N 3.48Å; G81-R85 VanDerWaalsContact O-CB 3.29Å; G81-R85 WeakPolarHBondContact O-CB 3.46Å; G81-R85 PolarHBondContact O-N 2.81Å
82D95.3Very high94.6Very high8 Ų868.7 Ų68.74%0.04335%0.347CS..Hα-helixtrans-62.5-44.6-178.4-83.4-8.2000112.6I72 R75 F77 S78 L79 D80 R85 A86I72-D82 HydrophobicContact CG2-CB 3.91Å; R75-D82 IonicContact CZ-OD1 3.68Å; R75-D82 IonicContact CZ-OD2 3.48Å; R75-D82 IonicContact NE-OD1 2.67Å; R75-D82 PolarHBondContact NE-OD1 3.48Å; R75-D82 IonicContact NE-OD2 3.21Å; R75-D82 PolarHBondContact NE-OD2 2.97Å; R75-D82 IonicContact NH2-OD1 2.81Å; R75-D82 PolarHBondContact NH2-OD1 3.27Å; R75-D82 IonicContact NH2-OD2 2.68Å; F77-D82 VanDerWaalsContact C-OD2 3.26Å; F77-D82 WeakPolarHBondContact CA-OD2 3.25Å; F77-D82 HydrophobicContact CB-CB 3.98Å; S78-D82 PolarHBondContact N-OD2 3Å; L79-D82 PolarHBondContact N-OD2 3.42Å; L79-D82 WeakPolarHBondContact O-CB 3.28Å; L79-D82 VanDerWaalsContact O-CG 3.24Å; L79-D82 PolarHBondContact O-N 2.9Å; D80-D82 VanDerWaalsContact C-N 3.34Å; D82-R85 PolarHBondContact O-N 2.97Å; D82-A86 WeakPolarHBondContact O-CB 3.27Å; D82-A86 PolarHBondContact O-N 3.37Å
83T93.2Very high94.5Very high24 Ų2469.1 Ų69.115%0.14735%0.351CS..Hα-helixtrans-65.9-44.4-179.4-64.80000110.2L50 Q51 A86 L87L50-T83 HydrophobicContact CB-CG2 3.84Å; L50-T83 HydrophobicContact CD1-CG2 4.16Å; Q51-T83 HydrophobicContact CG-CG2 4.47Å; T83-A86 PolarHBondContact O-N 3.45Å; T83-L87 HydrophobicContact CG2-CD1 4.09Å; T83-L87 WeakPolarHBondContact O-CB 3.47Å; T83-L87 VanDerWaalsContact O-CG 3.3Å; T83-L87 WeakPolarHBondContact O-CG 3.41Å; T83-L87 PolarHBondContact O-N 3.22Å
84E92.4Very high94.5Very high123 Ų12371.7 Ų71.758%0.57537%0.365SS*.Hα-helixtrans-62.3-46.4178.1-65.176.9-173.700111.1G81 L87 E88G81-E84 VanDerWaalsContact C-OE2 3.22Å; G81-E84 WeakPolarHBondContact CA-OE2 3.26Å; G81-E84 PolarHBondContact O-N 3.48Å; E84-L87 PolarHBondContact O-N 3.3Å; E84-E88 WeakPolarHBondContact O-CB 3.49Å; E84-E88 PolarHBondContact O-N 2.9Å
85R95.1Very high94.5Very high83 Ų8364.4 Ų64.431%0.31333%0.327SS..Hα-helixtrans-65.4-40.4177.5-177.156.3-178.6169.2-0.7111.4E68 I72 G81 D82 E88 L89E68-R85 IonicContact OE1-CZ 3.81Å; E68-R85 VanDerWaalsContact OE1-CZ 3.23Å; E68-R85 IonicContact OE1-NE 3.23Å; E68-R85 PolarHBondContact OE1-NE 2.92Å; E68-R85 IonicContact OE1-NH2 2.72Å; E68-R85 PolarHBondContact OE1-NH2 3.29Å; E68-R85 IonicContact OE2-NH2 3.2Å; I72-R85 HydrophobicContact CD1-CB 4.31Å; I72-R85 HydrophobicContact CD1-CG 3.97Å; G81-R85 VanDerWaalsContact O-CB 3.29Å; G81-R85 WeakPolarHBondContact O-CB 3.46Å; G81-R85 PolarHBondContact O-N 2.81Å; D82-R85 PolarHBondContact O-N 2.97Å; R85-E88 IonicContact CZ-OE2 3.59Å; R85-E88 IonicContact NH1-OE1 3.84Å; R85-E88 PolarHBondContact NH1-OE1 3.42Å; R85-E88 IonicContact NH1-OE2 2.74Å; R85-E88 PolarHBondContact NH1-OE2 3.41Å; R85-E88 PolarHBondContact O-N 3.35Å; R85-L89 HydrophobicContact CG-CD1 4.11Å; R85-L89 VanDerWaalsContact O-CG 3.29Å; R85-L89 WeakPolarHBondContact O-CG 3.31Å; R85-L89 PolarHBondContact O-N 3.25Å
86A95Very high94.5Very high0 Ų062.1 Ų62.10%032%0.322CS..Hα-helixtrans-63.3-45.3176.500000111.9L50 L69 F77 D82 T83 E88 L89 V90L50-A86 HydrophobicContact CD1-CB 4.21Å; L69-A86 HydrophobicContact CD2-CB 3.93Å; F77-A86 HydrophobicContact CD1-CB 4.01Å; F77-A86 HydrophobicContact CE1-CB 3.65Å; D82-A86 WeakPolarHBondContact O-CB 3.27Å; D82-A86 PolarHBondContact O-N 3.37Å; T83-A86 PolarHBondContact O-N 3.45Å; A86-E88 VanDerWaalsContact C-N 3.32Å; A86-E88 PolarHBondContact O-N 3.04Å; A86-L89 PolarHBondContact O-N 3.28Å; A86-V90 WeakPolarHBondContact O-CG2 3.42Å; A86-V90 PolarHBondContact O-N 2.97Å
87L92.3Very high94.4Very high33 Ų3356.8 Ų56.817%0.17330%0.304CS..Hα-helixtrans-59.2-42.4174.9-75.3169.8000111.9F35 L50 T83 E84 V90 K91F35-L87 HydrophobicContact CD1-CD2 4Å; F35-L87 HydrophobicContact CE1-CD2 3.9Å; L50-L87 HydrophobicContact CD1-CD2 3.67Å; L50-L87 HydrophobicContact CD1-CG 3.64Å; T83-L87 HydrophobicContact CG2-CD1 4.09Å; T83-L87 WeakPolarHBondContact O-CB 3.47Å; T83-L87 VanDerWaalsContact O-CG 3.3Å; T83-L87 WeakPolarHBondContact O-CG 3.41Å; T83-L87 PolarHBondContact O-N 3.22Å; E84-L87 PolarHBondContact O-N 3.3Å; L87-V90 PolarHBondContact O-N 3.41Å; L87-K91 WeakPolarHBondContact O-CB 3Å; L87-K91 VanDerWaalsContact O-CG 3.29Å; L87-K91 WeakPolarHBondContact O-CG 3.41Å; L87-K91 PolarHBondContact O-N 3.43Å
88E93.9Very high94.6Very high83 Ų8359 Ų5939%0.38831%0.314SS..Hα-helixtrans-60.7-47.9176.7-167.9-164.4163.400111.5E84 R85 A86 K91 Q92E84-E88 WeakPolarHBondContact O-CB 3.49Å; E84-E88 PolarHBondContact O-N 2.9Å; R85-E88 IonicContact CZ-OE2 3.59Å; R85-E88 IonicContact NH1-OE1 3.84Å; R85-E88 PolarHBondContact NH1-OE1 3.42Å; R85-E88 IonicContact NH1-OE2 2.74Å; R85-E88 PolarHBondContact NH1-OE2 3.41Å; R85-E88 PolarHBondContact O-N 3.35Å; A86-E88 VanDerWaalsContact C-N 3.32Å; A86-E88 PolarHBondContact O-N 3.04Å; E88-K91 PolarHBondContact O-N 3.33Å; E88-Q92 WeakPolarHBondContact O-CG 3.4Å; E88-Q92 PolarHBondContact O-N 3.26Å; E88-Q92 PolarHBondContact OE1-NE2 2.87Å
89L96.7Very high94.7Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-67-37.9179.8-68.2171.1000112.5Y66 E68 L69 R85 A86 Q92 S93Y66-L89 HydrophobicContact CD1-CD2 3.84Å; Y66-L89 HydrophobicContact CD2-CB 4.31Å; Y66-L89 HydrophobicContact CD2-CD2 4.17Å; Y66-L89 HydrophobicContact CE1-CD2 4.27Å; Y66-L89 HydrophobicContact CG-CD2 3.79Å; E68-L89 HydrophobicContact CG-CD1 3.85Å; E68-L89 WeakPolarHBondContact OE1-CD1 3.41Å; E68-L89 WeakPolarHBondContact OE1-CD2 3.41Å; L69-L89 HydrophobicContact CD1-CB 4Å; L69-L89 HydrophobicContact CD1-CD1 4.29Å; L69-L89 HydrophobicContact CD2-CB 4.31Å; L69-L89 HydrophobicContact CD2-CD1 3.79Å; L69-L89 HydrophobicContact CG-CB 4.2Å; L69-L89 HydrophobicContact CG-CD1 3.62Å; R85-L89 HydrophobicContact CG-CD1 4.11Å; R85-L89 VanDerWaalsContact O-CG 3.29Å; R85-L89 WeakPolarHBondContact O-CG 3.31Å; R85-L89 PolarHBondContact O-N 3.25Å; A86-L89 PolarHBondContact O-N 3.28Å; L89-Q92 PolarHBondContact O-N 3Å; L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.5Å; L89-S93 PolarHBondContact O-N 3.12Å; L89-S93 PolarHBondContact O-OG 3.06Å
90V94.7Very high94.7Very high4 Ų453.3 Ų53.32%0.02427%0.272CS..Hα-helixtrans-61.6-44.8172.9172.80000110.4F35 P58 V59 A62 A86 L87 Q92 S93 V96F35-V90 HydrophobicContact CD1-CB 4.3Å; F35-V90 HydrophobicContact CD1-CG1 3.67Å; F35-V90 HydrophobicContact CE1-CB 4.11Å; F35-V90 HydrophobicContact CE1-CG1 3.85Å; F35-V90 HydrophobicContact CE1-CG2 3.95Å; F35-V90 HydrophobicContact CG-CG1 4.46Å; P58-V90 HydrophobicContact CB-CG1 3.88Å; V59-V90 HydrophobicContact CB-CG2 4.48Å; V59-V90 HydrophobicContact CG2-CG2 4.25Å; A62-V90 HydrophobicContact CB-CB 4.42Å; A62-V90 HydrophobicContact CB-CG2 3.78Å; A86-V90 WeakPolarHBondContact O-CG2 3.42Å; A86-V90 PolarHBondContact O-N 2.97Å; L87-V90 PolarHBondContact O-N 3.41Å; V90-Q92 VanDerWaalsContact C-N 3.34Å; V90-Q92 PolarHBondContact O-N 3.06Å; V90-S93 WeakPolarHBondContact CA-OG 3.36Å; V90-S93 PolarHBondContact O-N 3.4Å; V90-S93 PolarHBondContact O-OG 3.02Å; V90-V96 HydrophobicContact CG1-CG2 4.13Å
91K91.4Very high94.8Very high169 Ų16952 Ų5274%0.73526%0.262SS*.Hα-helixtrans-63.8-34.2176.5-73.5172.8-178.3178.20113.7L87 E88 S93L87-K91 WeakPolarHBondContact O-CB 3Å; L87-K91 VanDerWaalsContact O-CG 3.29Å; L87-K91 WeakPolarHBondContact O-CG 3.41Å; L87-K91 PolarHBondContact O-N 3.43Å; E88-K91 PolarHBondContact O-N 3.33Å; K91-S93 VanDerWaalsContact C-N 3.35Å
92Q95.6Very high95Very high90 Ų9052.8 Ų52.842%0.42126%0.257SS..Hα-helixtrans-80.2-19.1177-69.2174.37.500112.8Y66 E88 L89 V90Y66-Q92 HydrophobicContact CE2-CB 4.28Å; Y66-Q92 PolarHBondContact OH-O 3.25Å; E88-Q92 WeakPolarHBondContact O-CG 3.4Å; E88-Q92 PolarHBondContact O-N 3.26Å; E88-Q92 PolarHBondContact OE1-NE2 2.87Å; L89-Q92 PolarHBondContact O-N 3Å; V90-Q92 VanDerWaalsContact C-N 3.34Å; V90-Q92 PolarHBondContact O-N 3.06Å
93S95.7Very high95Very high17 Ų1752.4 Ų52.412%0.11926%0.255CS..THydrogen-bonded Turntrans-85.5-177.8173.480.20000112.2A62 L89 V90 K91 G95A62-S93 VanDerWaalsContact CB-OG 3.32Å; A62-S93 WeakPolarHBondContact CB-OG 3.35Å; L89-S93 VanDerWaalsContact O-CB 3.27Å; L89-S93 WeakPolarHBondContact O-CB 3.5Å; L89-S93 PolarHBondContact O-N 3.12Å; L89-S93 PolarHBondContact O-OG 3.06Å; V90-S93 WeakPolarHBondContact CA-OG 3.36Å; V90-S93 PolarHBondContact O-N 3.4Å; V90-S93 PolarHBondContact O-OG 3.02Å; K91-S93 VanDerWaalsContact C-N 3.35Å; S93-G95 PolarHBondContact OG-N 3.38Å
94D94.4Very high95.1Very high89 Ų8954 Ų5448%0.47626%0.261SS..THydrogen-bonded Turntrans-103.825.5164.2-171.334.1000111.2V96 G97 Q98D94-V96 VanDerWaalsContact C-N 3.28Å; D94-V96 PolarHBondContact O-N 3.29Å; D94-G97 PolarHBondContact O-N 3.03Å; D94-G97 WeakPolarHBondContact OD1-CA 3.29Å; D94-Q98 HydrophobicContact CB-CG 4.42Å; D94-Q98 WeakPolarHBondContact O-CB 3.43Å; D94-Q98 WeakPolarHBondContact O-CG 3.22Å; D94-Q98 PolarHBondContact O-N 3.43Å
95G96.5Very high95.3Very high0 Ų053.2 Ų53.20%026%0.256CS..Hα-helixtrans-57.6-40.2-17300000113.3P58 S93 T99P58-G95 WeakPolarHBondContact O-CA 3.39Å; S93-G95 PolarHBondContact OG-N 3.38Å; G95-T99 WeakPolarHBondContact O-CB 3.48Å; G95-T99 PolarHBondContact O-N 3.41Å; G95-T99 PolarHBondContact O-OG1 3.31Å
96V94.3Very high95.4Very high34 Ų3450.4 Ų50.421%0.20625%0.246CC..Hα-helixtrans-63.9-46173.6172.90000111.3V32 F35 V36 P58 V90 D94 T99 R100V32-V96 HydrophobicContact CG1-CG1 4.18Å; F35-V96 HydrophobicContact CB-CG2 4.02Å; V36-V96 HydrophobicContact CG1-CG1 3.58Å; V36-V96 HydrophobicContact CG1-CG2 4.44Å; P58-V96 HydrophobicContact CB-CG2 4.06Å; P58-V96 HydrophobicContact CG-CG2 4.34Å; V90-V96 HydrophobicContact CG1-CG2 4.13Å; D94-V96 VanDerWaalsContact C-N 3.28Å; D94-V96 PolarHBondContact O-N 3.29Å; V96-T99 PolarHBondContact O-N 2.93Å; V96-R100 VanDerWaalsContact O-CG 3.29Å; V96-R100 WeakPolarHBondContact O-CG 3.33Å; V96-R100 PolarHBondContact O-N 3.48Å
97G94.8Very high95.5Very high24 Ų2450.4 Ų50.425%0.24725%0.246CC..Hα-helixtrans-64.7-43179.600000112.6D94 T99 R100 M101D94-G97 PolarHBondContact O-N 3.03Å; D94-G97 WeakPolarHBondContact OD1-CA 3.29Å; G97-T99 PolarHBondContact O-N 3.25Å; G97-R100 WeakPolarHBondContact O-CB 3.38Å; G97-R100 PolarHBondContact O-N 2.9Å; G97-M101 PolarHBondContact O-N 3.49Å
98Q97.8Very high95.6Very high62 Ų6252.5 Ų52.529%0.2926%0.255SS..Hα-helixtrans-63.7-40.6175.4-67.5-177-85.100112F61 D94 M101 L102F61-Q98 HydrophobicContact CB-CB 4.05Å; F61-Q98 HydrophobicContact CD1-CB 3.71Å; F61-Q98 HydrophobicContact CD1-CG 4.32Å; F61-Q98 HydrophobicContact CD2-CB 3.81Å; F61-Q98 HydrophobicContact CE1-CB 4.04Å; F61-Q98 HydrophobicContact CE2-CB 4.14Å; F61-Q98 HydrophobicContact CG-CB 3.58Å; F61-Q98 HydrophobicContact CG-CG 4.47Å; F61-Q98 HydrophobicContact CZ-CB 4.25Å; D94-Q98 HydrophobicContact CB-CG 4.42Å; D94-Q98 WeakPolarHBondContact O-CB 3.43Å; D94-Q98 WeakPolarHBondContact O-CG 3.22Å; D94-Q98 PolarHBondContact O-N 3.43Å; Q98-M101 PolarHBondContact O-N 2.95Å; Q98-L102 PolarHBondContact O-N 2.97Å
99T96.9Very high95.8Very high0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-63.4-43.1175.3-54.30000111.3L28 D31 V32 G57 P58 F61 G95 V96 G97 M101 L102 A103L28-T99 HydrophobicContact CB-CG2 4.09Å; L28-T99 HydrophobicContact CD2-CG2 3.77Å; L28-T99 WeakPolarHBondContact O-CG2 3.33Å; D31-T99 HydrophobicContact CB-CG2 4.49Å; V32-T99 HydrophobicContact CG2-CG2 3.62Å; G57-T99 PolarHBondContact O-OG1 3.02Å; P58-T99 WeakPolarHBondContact CA-OG1 3.47Å; P58-T99 WeakPolarHBondContact CD-OG1 3.35Å; P58-T99 HydrophobicContact CG-CG2 4.39Å; F61-T99 WeakPolarHBondContact CD2-OG1 3.46Å; G95-T99 WeakPolarHBondContact O-CB 3.48Å; G95-T99 PolarHBondContact O-N 3.41Å; G95-T99 PolarHBondContact O-OG1 3.31Å; V96-T99 PolarHBondContact O-N 2.93Å; G97-T99 PolarHBondContact O-N 3.25Å; T99-M101 PolarHBondContact O-N 2.93Å; T99-L102 PolarHBondContact O-N 3.46Å; T99-A103 PolarHBondContact O-N 3.47Å
100R94.7Very high95.8Very high68 Ų6848.8 Ų48.826%0.25724%0.239SC..Hα-helixtrans-61.3-42.8174.3-72.5169.1177.3-90-0.2112.4V32 V96 G97 L102 A103 E104 G137V32-R100 HydrophobicContact CB-CG 4.45Å; V32-R100 HydrophobicContact CG1-CG 3.93Å; V32-R100 VanDerWaalsContact CG1-CZ 3.42Å; V32-R100 VanDerWaalsContact CG1-NH2 3.29Å; V32-R100 HydrophobicContact CG2-CG 3.73Å; V96-R100 VanDerWaalsContact O-CG 3.29Å; V96-R100 WeakPolarHBondContact O-CG 3.33Å; V96-R100 PolarHBondContact O-N 3.48Å; G97-R100 WeakPolarHBondContact O-CB 3.38Å; G97-R100 PolarHBondContact O-N 2.9Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 3.41Å; R100-A103 WeakPolarHBondContact O-CB 3.06Å; R100-A103 PolarHBondContact O-N 2.94Å; R100-E104 PolarHBondContact O-N 2.85Å; R100-G137 PolarHBondContact NH1-O 3.17Å; R100-G137 PolarHBondContact NH2-O 3.17Å
101M96.4Very high95.8Very high142 Ų14251.1 Ų51.170%0.725%0.25SC*.Hα-helixtrans-62.4-41.4177.4-173.6-176.6-65.800111.2G97 Q98 T99 E104 F105G97-M101 PolarHBondContact O-N 3.49Å; Q98-M101 PolarHBondContact O-N 2.95Å; T99-M101 PolarHBondContact O-N 2.93Å; M101-E104 PolarHBondContact O-N 3.49Å; M101-F105 PolarHBondContact O-N 3.44Å
102L97.6Very high96.1Very high56 Ų5649.1 Ų49.129%0.29324%0.237SC..Hα-helixtrans-65.8-40.4175.2-174.760.4000111.7L28 F61 Q98 T99 R100 F105 H106L28-L102 HydrophobicContact CD1-CB 4.13Å; L28-L102 HydrophobicContact CD1-CD2 3.91Å; L28-L102 HydrophobicContact CD1-CG 3.63Å; L28-L102 HydrophobicContact CD2-CD2 3.97Å; L28-L102 HydrophobicContact CD2-CG 4.49Å; F61-L102 HydrophobicContact CE2-CD2 4.2Å; F61-L102 HydrophobicContact CZ-CD2 4.09Å; Q98-L102 PolarHBondContact O-N 2.97Å; T99-L102 PolarHBondContact O-N 3.46Å; R100-L102 VanDerWaalsContact C-N 3.31Å; R100-L102 PolarHBondContact O-N 3.41Å; L102-F105 HydrophobicContact CD1-CD1 4.32Å; L102-F105 WeakPolarHBondContact O-CB 3.44Å; L102-F105 PolarHBondContact O-N 3.23Å; L102-H106 PolarHBondContact O-CD2 3.04Å; L102-H106 VanDerWaalsContact O-CD2 3.29Å; L102-H106 PolarHBondContact O-N 3.4Å
103A95.7Very high96.2Very high0 Ų045.4 Ų45.40%022%0.221CC..Hα-helixtrans-59.4-48.6174.500000111.3A25 L28 I29 T99 R100 F105 H106 F107A25-A103 WeakPolarHBondContact CB-O 3.27Å; L28-A103 HydrophobicContact CB-CB 3.7Å; L28-A103 HydrophobicContact CD1-CB 4.33Å; I29-A103 HydrophobicContact CD1-CB 3.7Å; I29-A103 HydrophobicContact CG1-CB 3.92Å; T99-A103 PolarHBondContact O-N 3.47Å; R100-A103 WeakPolarHBondContact O-CB 3.06Å; R100-A103 PolarHBondContact O-N 2.94Å; A103-F105 VanDerWaalsContact C-N 3.33Å; A103-F105 PolarHBondContact O-N 3.37Å; A103-H106 PolarHBondContact O-N 3.21Å; A103-H106 VanDerWaalsContact O-N 3.12Å; A103-F107 VanDerWaalsContact O-CD2 3.29Å; A103-F107 WeakPolarHBondContact O-CD2 3.47Å; A103-F107 PolarHBondContact O-N 2.93Å
104E94.9Very high96.2Very high57 Ų5744.7 Ų44.727%0.26622%0.216SC..Hα-helixtrans-58.5-43.4176.8-179.962.3-148.500111.7R100 M101 H106 F107 Q108 L134R100-E104 PolarHBondContact O-N 2.85Å; M101-E104 PolarHBondContact O-N 3.49Å; E104-H106 VanDerWaalsContact C-N 3.32Å; E104-H106 PolarHBondContact O-N 2.91Å; E104-F107 PolarHBondContact O-N 2.88Å; E104-Q108 WeakPolarHBondContact O-CG 3.44Å; E104-Q108 PolarHBondContact O-N 2.98Å; E104-Q108 WeakPolarHBondContact OE1-CG 3.3Å; E104-Q108 PolarHBondContact OE1-NE2 2.95Å; E104-L134 WeakPolarHBondContact OE2-CD1 3.25Å; E104-L134 VanDerWaalsContact OE2-CD2 3.27Å; E104-L134 WeakPolarHBondContact OE2-CD2 3.47Å
105F97.1Very high96.3Very high107 Ų10746.3 Ų46.347%0.46922%0.219SC..Hα-helixtrans-55.5-46.9174.1168-93.3000111.9M101 L102 A103 Q108 A109M101-F105 PolarHBondContact O-N 3.44Å; L102-F105 HydrophobicContact CD1-CD1 4.32Å; L102-F105 WeakPolarHBondContact O-CB 3.44Å; L102-F105 PolarHBondContact O-N 3.23Å; A103-F105 VanDerWaalsContact C-N 3.33Å; A103-F105 PolarHBondContact O-N 3.37Å; F105-Q108 PolarHBondContact O-N 3.36Å; F105-A109 WeakPolarHBondContact O-CB 3.48Å; F105-A109 PolarHBondContact O-N 3.43Å
106H97.4Very high96.2Very high23 Ų2351 Ų5111%0.10624%0.241CC..Hα-helixtrans-67.6-39.9178.4-83.3-83.2000112.2H21 M24 A25 L102 A103 E104 Q108 A109 A110H21-H106 WeakPolarHBondContact CB-O 3.48Å; H21-H106 AromaticContact CE1-ND1 3.73Å; H21-H106 AromaticContact CG-ND1 3.92Å; H21-H106 AromaticContact ND1-CE1 3.69Å; H21-H106 AromaticContact ND1-CG 3.81Å; H21-H106 AromaticContact ND1-ND1 2.93Å; H21-H106 PolarHBondContact ND1-ND1 3.47Å; H21-H106 WeakPolarHBondContact O-CB 3.36Å; M24-H106 HydrophobicContact CB-CB 4.24Å; M24-H106 WeakPolarHBondContact CB-ND1 3.4Å; A25-H106 HydrophobicContact CB-CB 3.7Å; L102-H106 PolarHBondContact O-CD2 3.04Å; L102-H106 VanDerWaalsContact O-CD2 3.29Å; L102-H106 PolarHBondContact O-N 3.4Å; A103-H106 PolarHBondContact O-N 3.21Å; A103-H106 VanDerWaalsContact O-N 3.12Å; E104-H106 VanDerWaalsContact C-N 3.32Å; E104-H106 PolarHBondContact O-N 2.91Å; H106-Q108 PolarHBondContact O-N 3.4Å; H106-A109 PolarHBondContact O-N 3.24Å; H106-A110 PolarHBondContact O-N 3.31Å
107F95.7Very high96.3Very high0 Ų051.1 Ų51.10%024%0.239CC..Hα-helixtrans-60.5-45.8174.2-87.5-69.6000112.4L22 A25 F26 I29 A103 E104 A109 A110 Q111 A130 F133 L134L22-F107 HydrophobicContact CD1-CD1 4.45Å; L22-F107 HydrophobicContact CD1-CE1 4.1Å; A25-F107 HydrophobicContact CB-CB 4.41Å; A25-F107 HydrophobicContact CB-CD1 4.05Å; A25-F107 HydrophobicContact CB-CD2 3.24Å; A25-F107 HydrophobicContact CB-CE1 4.09Å; A25-F107 HydrophobicContact CB-CE2 3.31Å; A25-F107 HydrophobicContact CB-CG 3.64Å; A25-F107 HydrophobicContact CB-CZ 3.74Å; F26-F107 HydrophobicContact CD2-CE1 4.05Å; F26-F107 AromaticContact CD2-CZ 3.82Å; F26-F107 HydrophobicContact CD2-CZ 3.82Å; F26-F107 AromaticContact CE2-CE1 3.84Å; F26-F107 HydrophobicContact CE2-CE1 3.84Å; F26-F107 AromaticContact CE2-CZ 3.97Å; F26-F107 HydrophobicContact CE2-CZ 3.97Å; I29-F107 HydrophobicContact CG1-CE2 3.94Å; A103-F107 VanDerWaalsContact O-CD2 3.29Å; A103-F107 WeakPolarHBondContact O-CD2 3.47Å; A103-F107 PolarHBondContact O-N 2.93Å; E104-F107 PolarHBondContact O-N 2.88Å; F107-A109 VanDerWaalsContact C-N 3.29Å; F107-A109 PolarHBondContact O-N 3.21Å; F107-A110 WeakPolarHBondContact O-CB 3.33Å; F107-A110 PolarHBondContact O-N 2.98Å; F107-Q111 WeakPolarHBondContact O-CG 3.37Å; F107-Q111 PolarHBondContact O-N 3.49Å; F107-A130 HydrophobicContact CD1-CB 4.18Å; F107-A130 WeakPolarHBondContact CD1-O 3.49Å; F107-A130 HydrophobicContact CE1-CB 4.33Å; F107-A130 WeakPolarHBondContact CE1-O 3.38Å; F107-F133 HydrophobicContact CE1-CB 4.15Å; F107-F133 HydrophobicContact CZ-CB 3.74Å; F107-L134 HydrophobicContact CB-CD1 3.66Å; F107-L134 HydrophobicContact CB-CD2 4.18Å; F107-L134 HydrophobicContact CB-CG 4.02Å; F107-L134 HydrophobicContact CD1-CD1 4.16Å; F107-L134 HydrophobicContact CD1-CG 3.96Å; F107-L134 HydrophobicContact CD2-CD1 3.9Å; F107-L134 HydrophobicContact CD2-CD2 3.05Å; F107-L134 HydrophobicContact CD2-CG 3.22Å; F107-L134 HydrophobicContact CE1-CG 4.23Å; F107-L134 HydrophobicContact CE2-CD2 3.47Å; F107-L134 VanDerWaalsContact CE2-CD2 3.47Å; F107-L134 HydrophobicContact CE2-CG 3.54Å; F107-L134 HydrophobicContact CG-CD1 3.65Å; F107-L134 HydrophobicContact CG-CD2 3.74Å; F107-L134 HydrophobicContact CG-CG 3.46Å; F107-L134 VanDerWaalsContact CG-CG 3.46Å; F107-L134 HydrophobicContact CZ-CD2 4.43Å; F107-L134 HydrophobicContact CZ-CG 4.04Å
108Q95.6Very high96.3Very high77 Ų7760.4 Ų60.436%0.3627%0.266SS..Hα-helixtrans-63.1-37.8177.2-68.41776.800111.7E104 F105 H106 Q111 R112E104-Q108 WeakPolarHBondContact O-CG 3.44Å; E104-Q108 PolarHBondContact O-N 2.98Å; E104-Q108 WeakPolarHBondContact OE1-CG 3.3Å; E104-Q108 PolarHBondContact OE1-NE2 2.95Å; F105-Q108 PolarHBondContact O-N 3.36Å; H106-Q108 PolarHBondContact O-N 3.4Å; Q108-Q111 PolarHBondContact O-N 3.06Å; Q108-R112 WeakPolarHBondContact O-CG 3.45Å; Q108-R112 PolarHBondContact O-N 2.87Å
109A97.4Very high96.2Very high6 Ų661.6 Ų61.65%0.0528%0.275CS..Hα-helixtrans-63.6-43.8174.200000112.1H21 F105 H106 F107 Q111 R112 C113H21-A109 HydrophobicContact CB-CB 4.19Å; H21-A109 VanDerWaalsContact CE1-CB 3.45Å; H21-A109 WeakPolarHBondContact CE1-CB 3.38Å; H21-A109 VanDerWaalsContact ND1-CB 3.33Å; H21-A109 WeakPolarHBondContact ND1-CB 3.29Å; F105-A109 WeakPolarHBondContact O-CB 3.48Å; F105-A109 PolarHBondContact O-N 3.43Å; H106-A109 PolarHBondContact O-N 3.24Å; F107-A109 VanDerWaalsContact C-N 3.29Å; F107-A109 PolarHBondContact O-N 3.21Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 PolarHBondContact O-N 3.15Å; A109-R112 VanDerWaalsContact CA-NH2 3.33Å; A109-R112 PolarHBondContact O-N 3.46Å; A109-C113 PolarHBondContact O-N 3.05Å; A109-C113 PolarHBondContact O-SG 2.87Å; A109-C113 VanDerWaalsContact O-SG 3.36Å
110A96.8Very high96.2Very high0 Ų063.4 Ų63.40%029%0.287CS..Hα-helixtrans-59.5-43.9174.600000111.6F18 H21 L22 H106 F107 R112 C113 L114F18-A110 HydrophobicContact CD2-CB 3.85Å; F18-A110 WeakPolarHBondContact CD2-O 3.37Å; F18-A110 HydrophobicContact CE2-CB 4.1Å; H21-A110 HydrophobicContact CB-CB 3.82Å; L22-A110 HydrophobicContact CB-CB 4.36Å; H106-A110 PolarHBondContact O-N 3.31Å; F107-A110 WeakPolarHBondContact O-CB 3.33Å; F107-A110 PolarHBondContact O-N 2.98Å; A110-R112 PolarHBondContact O-N 3.37Å; A110-C113 WeakPolarHBondContact O-CB 3.06Å; A110-C113 PolarHBondContact O-N 3.34Å; A110-L114 PolarHBondContact O-N 3.49Å; A110-L114 VanDerWaalsContact O-N 3.14Å
111Q96Very high96.3Very high53 Ų5367.2 Ų67.225%0.24831%0.312CS..Hα-helixtrans-61-44.3175.9-70.1178.1-41.800111.8F107 Q108 A109 C113 L114 F115 L127F107-Q111 WeakPolarHBondContact O-CG 3.37Å; F107-Q111 PolarHBondContact O-N 3.49Å; Q108-Q111 PolarHBondContact O-N 3.06Å; A109-Q111 VanDerWaalsContact C-N 3.34Å; A109-Q111 PolarHBondContact O-N 3.15Å; Q111-C113 VanDerWaalsContact C-N 3.3Å; Q111-C113 PolarHBondContact O-N 3.3Å; Q111-L114 PolarHBondContact O-N 3.44Å; Q111-L114 VanDerWaalsContact O-N 3.1Å; Q111-F115 HydrophobicContact CB-CD2 4.4Å; Q111-F115 HydrophobicContact CB-CE2 4.17Å; Q111-F115 WeakPolarHBondContact O-CD2 3.38Å; Q111-F115 PolarHBondContact O-N 2.67Å; Q111-L127 HydrophobicContact CB-CD2 4.12Å; Q111-L127 HydrophobicContact CG-CD2 3.89Å
112R96.7Very high96.3Very high126 Ų12664.5 Ų64.548%0.47531%0.307SS..Hα-helixtrans-58.6-39.6175.8-74.1-173.1-62.8-92.74.7112.2Q108 A109 A110 F115Q108-R112 WeakPolarHBondContact O-CG 3.45Å; Q108-R112 PolarHBondContact O-N 2.87Å; A109-R112 VanDerWaalsContact CA-NH2 3.33Å; A109-R112 PolarHBondContact O-N 3.46Å; A110-R112 PolarHBondContact O-N 3.37Å; R112-F115 PolarHBondContact O-N 3.48Å
113C97.3Very high96.3Very high12 Ų1263.9 Ų63.98%0.08130%0.301CS..Hα-helixtrans-60.1-46.7173.2-64.20000111.4F18 A109 A110 Q111 F115 Q116 F117F18-C113 HydrophobicContact CB-CB 3.72Å; A109-C113 PolarHBondContact O-N 3.05Å; A109-C113 PolarHBondContact O-SG 2.87Å; A109-C113 VanDerWaalsContact O-SG 3.36Å; A110-C113 WeakPolarHBondContact O-CB 3.06Å; A110-C113 PolarHBondContact O-N 3.34Å; Q111-C113 VanDerWaalsContact C-N 3.3Å; Q111-C113 PolarHBondContact O-N 3.3Å; C113-F115 VanDerWaalsContact C-N 3.35Å; C113-F115 PolarHBondContact O-N 3.25Å; C113-Q116 WeakPolarHBondContact O-CB 3.39Å; C113-Q116 PolarHBondContact O-N 3.48Å; C113-F117 VanDerWaalsContact O-CD2 3.28Å; C113-F117 WeakPolarHBondContact O-CD2 3.14Å; C113-F117 WeakPolarHBondContact O-CE2 3.01Å
114L96.3Very high96.3Very high3 Ų369 Ų692%0.01632%0.323CS..Hα-helixtrans-64.9-35.2179.1-69-179.4000113.5M15 F18 A110 Q111 Q116 F117 R123 L126 L127M15-L114 HydrophobicContact CE-CD2 3.79Å; F18-L114 HydrophobicContact CD1-CD2 4.03Å; F18-L114 HydrophobicContact CD2-CD1 3.93Å; F18-L114 HydrophobicContact CD2-CD2 3.75Å; F18-L114 HydrophobicContact CD2-CG 3.51Å; F18-L114 HydrophobicContact CE1-CD2 4.12Å; F18-L114 HydrophobicContact CE2-CD1 3.41Å; F18-L114 VanDerWaalsContact CE2-CD1 3.41Å; F18-L114 HydrophobicContact CE2-CD2 3.85Å; F18-L114 HydrophobicContact CE2-CG 3.56Å; F18-L114 HydrophobicContact CG-CD2 3.84Å; F18-L114 HydrophobicContact CG-CG 4.1Å; F18-L114 HydrophobicContact CZ-CD1 3.88Å; F18-L114 HydrophobicContact CZ-CD2 4.02Å; F18-L114 HydrophobicContact CZ-CG 4.18Å; A110-L114 PolarHBondContact O-N 3.49Å; A110-L114 VanDerWaalsContact O-N 3.14Å; Q111-L114 PolarHBondContact O-N 3.44Å; Q111-L114 VanDerWaalsContact O-N 3.1Å; L114-Q116 PolarHBondContact O-N 2.96Å; L114-F117 PolarHBondContact O-N 2.81Å; L114-R123 HydrophobicContact CB-CG 4.24Å; L114-R123 WeakPolarHBondContact O-CD 3.21Å; L114-L126 HydrophobicContact CD1-CB 3.61Å; L114-L126 HydrophobicContact CD2-CB 4.16Å; L114-L126 HydrophobicContact CD2-CD1 3.83Å; L114-L127 HydrophobicContact CB-CD2 4.1Å; L114-L127 HydrophobicContact CB-CG 4.35Å; L114-L127 HydrophobicContact CD1-CD2 3.74Å; L114-L127 HydrophobicContact CD1-CG 3.76Å
115F96.4Very high96.3Very high122 Ų12268.8 Ų68.854%0.53533%0.332SS..Hα-helixtrans-66.1-16178.7-78.5-61.8000113.9Q111 R112 C113 F117 L127Q111-F115 HydrophobicContact CB-CD2 4.4Å; Q111-F115 HydrophobicContact CB-CE2 4.17Å; Q111-F115 WeakPolarHBondContact O-CD2 3.38Å; Q111-F115 PolarHBondContact O-N 2.67Å; R112-F115 PolarHBondContact O-N 3.48Å; C113-F115 VanDerWaalsContact C-N 3.35Å; C113-F115 PolarHBondContact O-N 3.25Å; F115-F117 PolarHBondContact O-N 3.14Å; F115-L127 HydrophobicContact CE1-CD1 4.18Å; F115-L127 HydrophobicContact CE2-CD2 4.26Å; F115-L127 HydrophobicContact CZ-CD1 4.19Å; F115-L127 HydrophobicContact CZ-CD2 4.33Å
116Q95.3Very high96.3Very high98 Ų9866.8 Ų66.846%0.45833%0.325SS..THydrogen-bonded Turntrans-72.6-18.4172-64.5-176.560.700113W10 N14 C113 L114W10-Q116 HydrophobicContact CH2-CB 3.87Å; W10-Q116 HydrophobicContact CZ2-CB 3.84Å; N14-Q116 PolarHBondContact OD1-NE2 3.18Å; N14-Q116 PolarHBondContact OD1-OE1 3.36Å; N14-Q116 VanDerWaalsContact OD1-OE1 3.11Å; C113-Q116 WeakPolarHBondContact O-CB 3.39Å; C113-Q116 PolarHBondContact O-N 3.48Å; L114-Q116 PolarHBondContact O-N 2.96Å
117F94.8Very high96.1Very high37 Ų3767 Ų6716%0.16233%0.327CS..SBendtrans-89.3151177.7-62.5-101.4000110.7W10 H11 N14 M15 C113 L114 F115 R123W10-F117 HydrophobicContact CZ3-CE1 4.41Å; W10-F117 HydrophobicContact CZ3-CZ 4.49Å; H11-F117 AromaticContact CD2-CE1 3.73Å; N14-F117 HydrophobicContact CB-CE2 3.73Å; N14-F117 HydrophobicContact CB-CZ 3.64Å; M15-F117 HydrophobicContact CE-CD2 3.71Å; M15-F117 HydrophobicContact CE-CE1 4.01Å; M15-F117 HydrophobicContact CE-CE2 3.05Å; M15-F117 HydrophobicContact CE-CG 4.47Å; M15-F117 HydrophobicContact CE-CZ 3.23Å; M15-F117 HydrophobicContact CG-CE1 3.99Å; M15-F117 HydrophobicContact CG-CE2 4.5Å; M15-F117 HydrophobicContact CG-CZ 3.66Å; M15-F117 HydrophobicContact SD-CE1 4.17Å; M15-F117 HydrophobicContact SD-CE2 4.24Å; M15-F117 HydrophobicContact SD-CZ 3.88Å; C113-F117 VanDerWaalsContact O-CD2 3.28Å; C113-F117 WeakPolarHBondContact O-CD2 3.14Å; C113-F117 WeakPolarHBondContact O-CE2 3.01Å; L114-F117 PolarHBondContact O-N 2.81Å; F115-F117 PolarHBondContact O-N 3.14Å; F117-R123 WeakPolarHBondContact O-CD 3.36Å; F117-R123 PolarHBondContact O-NH1 3.46Å
118R94.8Very high96Very high220 Ų22072.5 Ų72.583%0.8335%0.353SS*.PPolyproline II helixtrans-53.9151.8173.869.2-179.6-178.8-167.8-0.5112S120R118-S120 PolarHBondContact O-N 3.4Å
119D96.5Very high95.7Very high87 Ų8771.9 Ų71.947%0.46535%0.354SS..SBendtrans-58.5132.2171.9-165.448.9000111R123 K124D119-R123 VanDerWaalsContact CA-CZ 3.42Å; D119-R123 IonicContact OD1-CZ 3.86Å; D119-R123 IonicContact OD1-NE 3.97Å; D119-R123 PolarHBondContact OD1-NE 3.37Å; D119-R123 IonicContact OD1-NH2 2.84Å; D119-R123 PolarHBondContact OD1-NH2 2.98Å; D119-K124 VanDerWaalsContact CG-CE 3.48Å; D119-K124 WeakPolarHBondContact OD1-CE 3.42Å; D119-K124 IonicContact OD1-NZ 2.65Å; D119-K124 WeakPolarHBondContact OD2-CE 3.37Å; D119-K124 IonicContact OD2-NZ 3Å; D119-K124 PolarHBondContact OD2-NZ 3.42Å
120S97.2Very high95.2Very high38 Ų3871.6 Ų71.627%0.26635%0.351SS..  trans-163.1160.2-177.960.60000110.4R118 S122 R123 K124R118-S120 PolarHBondContact O-N 3.4Å; S120-S122 VanDerWaalsContact C-N 3.27Å; S120-S122 PolarHBondContact O-N 3.21Å; S120-R123 PolarHBondContact O-N 2.84Å; S120-R123 WeakPolarHBondContact OG-CB 3.48Å; S120-R123 PolarHBondContact OG-N 2.76Å; S120-R123 VanDerWaalsContact OG-N 3.15Å; S120-K124 WeakPolarHBondContact O-CG 3.41Å; S120-K124 PolarHBondContact O-N 3.21Å
121L97.4Very high94.7Very high147 Ų14773.2 Ų73.277%0.7737%0.365SS*.Hα-helixtrans-58.8-40.8173.7-65.4178000111.5K124 A125L121-K124 PolarHBondContact O-N 2.93Å; L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 3.2Å
122S95.8Very high94.2Very high86 Ų8673.7 Ų73.760%0.60137%0.369SS*.Hα-helixtrans-62.3-44.4177.5-48.50000112.2S120 K124 A125 L126S120-S122 VanDerWaalsContact C-N 3.27Å; S120-S122 PolarHBondContact O-N 3.21Å; S122-K124 PolarHBondContact O-N 3.26Å; S122-A125 PolarHBondContact O-N 3.41Å; S122-L126 WeakPolarHBondContact O-CG 3.45Å; S122-L126 PolarHBondContact O-N 3.1Å
123R96.3Very high93.3Very high42 Ų4270 Ų7016%0.15836%0.357CS..Hα-helixtrans-60.3-46.6175.6-172.8-176.774.2167.79.9111.3L114 F117 D119 S120 A125 L126 L127L114-R123 HydrophobicContact CB-CG 4.24Å; L114-R123 WeakPolarHBondContact O-CD 3.21Å; F117-R123 WeakPolarHBondContact O-CD 3.36Å; F117-R123 PolarHBondContact O-NH1 3.46Å; D119-R123 VanDerWaalsContact CA-CZ 3.42Å; D119-R123 IonicContact OD1-CZ 3.86Å; D119-R123 IonicContact OD1-NE 3.97Å; D119-R123 PolarHBondContact OD1-NE 3.37Å; D119-R123 IonicContact OD1-NH2 2.84Å; D119-R123 PolarHBondContact OD1-NH2 2.98Å; S120-R123 PolarHBondContact O-N 2.84Å; S120-R123 WeakPolarHBondContact OG-CB 3.48Å; S120-R123 PolarHBondContact OG-N 2.76Å; S120-R123 VanDerWaalsContact OG-N 3.15Å; R123-A125 PolarHBondContact O-N 2.96Å; R123-L126 PolarHBondContact O-N 3.37Å; R123-L127 HydrophobicContact CG-CD1 4.16Å; R123-L127 WeakPolarHBondContact O-CB 3.44Å; R123-L127 WeakPolarHBondContact O-CG 3.34Å; R123-L127 PolarHBondContact O-N 3.42Å
124K96.5Very high92.2Very high107 Ų10770.5 Ų70.547%0.46536%0.358SS..Hα-helixtrans-62-42178.2-70.2175.2-172.4168.30111.8D119 S120 L121 S122 L127 H128D119-K124 VanDerWaalsContact CG-CE 3.48Å; D119-K124 WeakPolarHBondContact OD1-CE 3.42Å; D119-K124 IonicContact OD1-NZ 2.65Å; D119-K124 WeakPolarHBondContact OD2-CE 3.37Å; D119-K124 IonicContact OD2-NZ 3Å; D119-K124 PolarHBondContact OD2-NZ 3.42Å; S120-K124 WeakPolarHBondContact O-CG 3.41Å; S120-K124 PolarHBondContact O-N 3.21Å; L121-K124 PolarHBondContact O-N 2.93Å; S122-K124 PolarHBondContact O-N 3.26Å; K124-L127 PolarHBondContact O-N 3.32Å; K124-H128 WeakPolarHBondContact O-CB 3.28Å; K124-H128 PolarHBondContact O-N 2.84Å
125A96.1Very high91.3Very high54 Ų5476.2 Ų76.245%0.44639%0.385SS..Hα-helixtrans-62.2-46.6176.700000111.8L121 S122 R123 H128 V129L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 3.2Å; S122-A125 PolarHBondContact O-N 3.41Å; R123-A125 PolarHBondContact O-N 2.96Å; A125-H128 PolarHBondContact O-N 3.33Å; A125-V129 WeakPolarHBondContact O-CG2 3.34Å; A125-V129 PolarHBondContact O-N 3.04Å
126L95.7Very high90Very high65 Ų6578.1 Ų78.134%0.3439%0.389SS..Hα-helixtrans-64.3-41177.3-69.2173.1000112.4F18 L114 S122 R123 H128 V129 A130F18-L126 HydrophobicContact CE1-CB 4.46Å; F18-L126 HydrophobicContact CE1-CD1 3.95Å; F18-L126 HydrophobicContact CE1-CD2 4Å; F18-L126 HydrophobicContact CE1-CG 4.37Å; F18-L126 HydrophobicContact CZ-CB 3.96Å; F18-L126 HydrophobicContact CZ-CD1 4.27Å; F18-L126 HydrophobicContact CZ-CD2 4.05Å; F18-L126 HydrophobicContact CZ-CG 4.32Å; L114-L126 HydrophobicContact CD1-CB 3.61Å; L114-L126 HydrophobicContact CD2-CB 4.16Å; L114-L126 HydrophobicContact CD2-CD1 3.83Å; S122-L126 WeakPolarHBondContact O-CG 3.45Å; S122-L126 PolarHBondContact O-N 3.1Å; R123-L126 PolarHBondContact O-N 3.37Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-H128 PolarHBondContact O-N 3.25Å; L126-V129 PolarHBondContact O-N 2.91Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 2.8Å
127L94.2Very high88.2Confident27 Ų2773.8 Ų73.814%0.14137%0.37CS..Hα-helixtrans-61.7-41.3173.5-75.6170.3000111.9Q111 L114 F115 R123 K124 A130 A131Q111-L127 HydrophobicContact CB-CD2 4.12Å; Q111-L127 HydrophobicContact CG-CD2 3.89Å; L114-L127 HydrophobicContact CB-CD2 4.1Å; L114-L127 HydrophobicContact CB-CG 4.35Å; L114-L127 HydrophobicContact CD1-CD2 3.74Å; L114-L127 HydrophobicContact CD1-CG 3.76Å; F115-L127 HydrophobicContact CE1-CD1 4.18Å; F115-L127 HydrophobicContact CE2-CD2 4.26Å; F115-L127 HydrophobicContact CZ-CD1 4.19Å; F115-L127 HydrophobicContact CZ-CD2 4.33Å; R123-L127 HydrophobicContact CG-CD1 4.16Å; R123-L127 WeakPolarHBondContact O-CB 3.44Å; R123-L127 WeakPolarHBondContact O-CG 3.34Å; R123-L127 PolarHBondContact O-N 3.42Å; K124-L127 PolarHBondContact O-N 3.32Å; L127-A130 PolarHBondContact O-N 3.11Å; L127-A131 WeakPolarHBondContact O-CB 3.37Å; L127-A131 PolarHBondContact O-N 2.9Å
128H92.2Very high86.3Confident116 Ų11683.1 Ų83.154%0.53740%0.404SS..Hα-helixtrans-65.9-45.2178.7-17867.8000111.8K124 A125 L126 A131 N132K124-H128 WeakPolarHBondContact O-CB 3.28Å; K124-H128 PolarHBondContact O-N 2.84Å; A125-H128 PolarHBondContact O-N 3.33Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-H128 PolarHBondContact O-N 3.25Å; H128-A131 PolarHBondContact O-N 3.08Å; H128-N132 PolarHBondContact CD2-ND2 3.34Å; H128-N132 PolarHBondContact CE1-ND2 3.06Å; H128-N132 VanDerWaalsContact CE1-ND2 3.29Å; H128-N132 PolarHBondContact NE2-ND2 3.29Å; H128-N132 VanDerWaalsContact O-CG 3.29Å; H128-N132 PolarHBondContact O-N 3.49Å; H128-N132 PolarHBondContact O-ND2 3.43Å
129V89.1Confident85.9Confident63 Ų6376.3 Ų76.338%0.38238%0.383SS..Hα-helixtrans-56.5-53.3173.21710000109.6F26 A125 L126 A131 N132 F133F26-V129 HydrophobicContact CZ-CG1 4.34Å; A125-V129 WeakPolarHBondContact O-CG2 3.34Å; A125-V129 PolarHBondContact O-N 3.04Å; L126-V129 PolarHBondContact O-N 2.91Å; V129-A131 VanDerWaalsContact C-N 3.32Å; V129-A131 PolarHBondContact O-N 3.2Å; V129-N132 PolarHBondContact O-N 3.1Å; V129-F133 HydrophobicContact CG1-CD2 4.12Å; V129-F133 HydrophobicContact CG1-CE2 3.96Å; V129-F133 VanDerWaalsContact O-CD2 3.31Å; V129-F133 WeakPolarHBondContact O-CD2 3.46Å; V129-F133 PolarHBondContact O-N 3.41Å
130A87.2Confident85.3Confident0 Ų075.7 Ų75.70%038%0.379CS..Hα-helixtrans-55.1-44.9179.600000112.7L22 F107 L126 L127L22-A130 HydrophobicContact CD1-CB 3.67Å; F107-A130 HydrophobicContact CD1-CB 4.18Å; F107-A130 WeakPolarHBondContact CD1-O 3.49Å; F107-A130 HydrophobicContact CE1-CB 4.33Å; F107-A130 WeakPolarHBondContact CE1-O 3.38Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 2.8Å; L127-A130 PolarHBondContact O-N 3.11Å
131A86.1Confident84.6Confident34 Ų3477.8 Ų77.828%0.28139%0.385SS..Hα-helixtrans-67.3-37.6-178.900000113.8L127 H128 V129 F133 L134L127-A131 WeakPolarHBondContact O-CB 3.37Å; L127-A131 PolarHBondContact O-N 2.9Å; H128-A131 PolarHBondContact O-N 3.08Å; V129-A131 VanDerWaalsContact C-N 3.32Å; V129-A131 PolarHBondContact O-N 3.2Å; A131-F133 VanDerWaalsContact C-N 3.3Å; A131-F133 PolarHBondContact O-N 3.12Å; A131-L134 PolarHBondContact O-N 2.9Å
132N86Confident83.9Confident64 Ų6473.8 Ų73.834%0.34236%0.362SS..Hα-helixtrans-67.5-30.9-178.7-71.8-16.4000112.6H128 V129 Q135H128-N132 PolarHBondContact CD2-ND2 3.34Å; H128-N132 PolarHBondContact CE1-ND2 3.06Å; H128-N132 VanDerWaalsContact CE1-ND2 3.29Å; H128-N132 PolarHBondContact NE2-ND2 3.29Å; H128-N132 VanDerWaalsContact O-CG 3.29Å; H128-N132 PolarHBondContact O-N 3.49Å; H128-N132 PolarHBondContact O-ND2 3.43Å; V129-N132 PolarHBondContact O-N 3.1Å; N132-Q135 PolarHBondContact O-N 2.85Å
133F77.4Confident83.1Confident48 Ų4873 Ų7321%0.21135%0.347CS..Hα-helixtrans-70.8-36-179.7-86.6-89.2000112.9F26 F107 V129 A131 Q135 R136F26-F133 AromaticContact CD1-CD1 3.69Å; F26-F133 HydrophobicContact CD1-CD1 3.69Å; F26-F133 HydrophobicContact CD1-CD2 4.48Å; F26-F133 AromaticContact CD1-CE1 3.68Å; F26-F133 HydrophobicContact CD1-CE1 3.68Å; F26-F133 HydrophobicContact CD1-CE2 4.5Å; F26-F133 HydrophobicContact CD1-CG 4.1Å; F26-F133 HydrophobicContact CD1-CZ 4.12Å; F26-F133 HydrophobicContact CD2-CB 4.38Å; F26-F133 HydrophobicContact CD2-CG 4.38Å; F26-F133 HydrophobicContact CE1-CB 4.4Å; F26-F133 AromaticContact CE1-CD1 3.35Å; F26-F133 HydrophobicContact CE1-CD1 3.35Å; F26-F133 AromaticContact CE1-CD2 3.43Å; F26-F133 HydrophobicContact CE1-CD2 3.43Å; F26-F133 VanDerWaalsContact CE1-CD2 3.43Å; F26-F133 AromaticContact CE1-CE1 3.21Å; F26-F133 HydrophobicContact CE1-CE1 3.21Å; F26-F133 AromaticContact CE1-CE2 3.32Å; F26-F133 HydrophobicContact CE1-CE2 3.32Å; F26-F133 AromaticContact CE1-CG 3.45Å; F26-F133 HydrophobicContact CE1-CG 3.45Å; F26-F133 VanDerWaalsContact CE1-CG 3.45Å; F26-F133 AromaticContact CE1-CZ 3.21Å; F26-F133 HydrophobicContact CE1-CZ 3.21Å; F26-F133 HydrophobicContact CE2-CB 3.85Å; F26-F133 HydrophobicContact CE2-CD1 4.29Å; F26-F133 AromaticContact CE2-CD2 3.84Å; F26-F133 HydrophobicContact CE2-CD2 3.84Å; F26-F133 HydrophobicContact CE2-CE2 4.48Å; F26-F133 AromaticContact CE2-CG 3.73Å; F26-F133 HydrophobicContact CE2-CG 3.73Å; F26-F133 HydrophobicContact CG-CD1 4.36Å; F26-F133 HydrophobicContact CZ-CB 3.91Å; F26-F133 AromaticContact CZ-CD1 3.71Å; F26-F133 HydrophobicContact CZ-CD1 3.71Å; F26-F133 AromaticContact CZ-CD2 3.04Å; F26-F133 HydrophobicContact CZ-CD2 3.04Å; F26-F133 AromaticContact CZ-CE1 3.93Å; F26-F133 HydrophobicContact CZ-CE1 3.93Å; F26-F133 AromaticContact CZ-CE2 3.32Å; F26-F133 HydrophobicContact CZ-CE2 3.32Å; F26-F133 AromaticContact CZ-CG 3.26Å; F26-F133 HydrophobicContact CZ-CG 3.26Å; F26-F133 AromaticContact CZ-CZ 3.77Å; F26-F133 HydrophobicContact CZ-CZ 3.77Å; F107-F133 HydrophobicContact CE1-CB 4.15Å; F107-F133 HydrophobicContact CZ-CB 3.74Å; V129-F133 HydrophobicContact CG1-CD2 4.12Å; V129-F133 HydrophobicContact CG1-CE2 3.96Å; V129-F133 VanDerWaalsContact O-CD2 3.31Å; V129-F133 WeakPolarHBondContact O-CD2 3.46Å; V129-F133 PolarHBondContact O-N 3.41Å; A131-F133 VanDerWaalsContact C-N 3.3Å; A131-F133 PolarHBondContact O-N 3.12Å; F133-Q135 PolarHBondContact O-N 2.75Å; F133-Q135 VanDerWaalsContact O-N 3.12Å; F133-R136 WeakPolarHBondContact O-CB 3.19Å; F133-R136 PolarHBondContact O-N 2.93Å; F133-R136 VanDerWaalsContact O-N 3.11Å
134L74.4Confident82.3Confident22 Ų2275.1 Ų75.112%0.11536%0.36CS..Hα-helixtrans-56.9-26.3173-85.9172.2000113.8E104 F107 A131E104-L134 WeakPolarHBondContact OE2-CD1 3.25Å; E104-L134 VanDerWaalsContact OE2-CD2 3.27Å; E104-L134 WeakPolarHBondContact OE2-CD2 3.47Å; F107-L134 HydrophobicContact CB-CD1 3.66Å; F107-L134 HydrophobicContact CB-CD2 4.18Å; F107-L134 HydrophobicContact CB-CG 4.02Å; F107-L134 HydrophobicContact CD1-CD1 4.16Å; F107-L134 HydrophobicContact CD1-CG 3.96Å; F107-L134 HydrophobicContact CD2-CD1 3.9Å; F107-L134 HydrophobicContact CD2-CD2 3.05Å; F107-L134 HydrophobicContact CD2-CG 3.22Å; F107-L134 HydrophobicContact CE1-CG 4.23Å; F107-L134 HydrophobicContact CE2-CD2 3.47Å; F107-L134 VanDerWaalsContact CE2-CD2 3.47Å; F107-L134 HydrophobicContact CE2-CG 3.54Å; F107-L134 HydrophobicContact CG-CD1 3.65Å; F107-L134 HydrophobicContact CG-CD2 3.74Å; F107-L134 HydrophobicContact CG-CG 3.46Å; F107-L134 VanDerWaalsContact CG-CG 3.46Å; F107-L134 HydrophobicContact CZ-CD2 4.43Å; F107-L134 HydrophobicContact CZ-CG 4.04Å; A131-L134 PolarHBondContact O-N 2.9Å
135Q77.6Confident81.3Confident124 Ų12472.8 Ų72.858%0.57935%0.352SS*.THydrogen-bonded Turntrans-83.4-16.2-177.7-62.6-174.6-800113.1N132 F133 G137 R138N132-Q135 PolarHBondContact O-N 2.85Å; F133-Q135 PolarHBondContact O-N 2.75Å; F133-Q135 VanDerWaalsContact O-N 3.12Å; Q135-G137 PolarHBondContact O-N 3.07Å; Q135-R138 PolarHBondContact O-N 2.8Å
136R69.6Low80.1Confident162 Ų16274.2 Ų74.261%0.61135%0.345SS*.THydrogen-bonded Turntrans-66.1-25-174.3-72.2-173.5171.1-171.7-2.7114.2F133F133-R136 WeakPolarHBondContact O-CB 3.19Å; F133-R136 PolarHBondContact O-N 2.93Å; F133-R136 VanDerWaalsContact O-N 3.11Å
137G57.1Low78.8Confident6 Ų675 Ų756%0.06235%0.345CS..THydrogen-bonded Turntrans-1061.7-179.100000114.9R100 Q135R100-G137 PolarHBondContact NH1-O 3.17Å; R100-G137 PolarHBondContact NH2-O 3.17Å; Q135-G137 PolarHBondContact O-N 3.07Å
138R54.8Low77.4Confident234 Ų23479.4 Ų79.488%0.88336%0.364SS*.  trans-740-176.3-76.6-172.6-176.21750.4113.2Q135Q135-R138 PolarHBondContact O-N 2.8Å

Retrieved 138 of 138 residues in 38.9 ms (Link to these results)

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