A0A077Z085_TRITR Loading...

Methyltransf 11 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z085, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M44.6Very low44.6Very low206 Ų206106.8 Ų106.8100%1.01558%0.58SS**  0-30.70-119.6-177.266.400112.8E5M1-E5 VanDerWaalsContact CA-CD 3.46Å; M1-E5 WeakPolarHBondContact CA-OE1 3.19Å; M1-E5 WeakPolarHBondContact CA-OE2 3.19Å; M1-E5 VanDerWaalsContact N-CD 3.34Å; M1-E5 PolarHBondContact N-OE1 2.88Å; M1-E5 PolarHBondContact N-OE2 2.9Å
2A41Very low45.2Very low60 Ų60105.9 Ų105.950%0.49658%0.581SS.*  trans-133.68.3151.800000112.2E5A2-E5 WeakPolarHBondContact CA-OE2 3.41Å; A2-E5 PolarHBondContact N-OE2 2.95Å
3L37.8Very low45.7Very low144 Ų144107.7 Ų107.775%0.75458%0.582SS**SBendtrans-131.71.4-155.9-63.7167.6000115E5 V7L3-E5 VanDerWaalsContact C-N 3.33Å; L3-E5 PolarHBondContact N-OE2 3.28Å; L3-V7 WeakPolarHBondContact O-CB 3.4Å; L3-V7 WeakPolarHBondContact O-CG2 3.1Å
4S50.1Low46.4Very low79 Ų79103.1 Ų103.155%0.55256%0.563SS**SBendtrans-88.6-17.4142.6590000110.7V7 D8S4-V7 PolarHBondContact O-N 2.75Å; S4-D8 PolarHBondContact O-N 2.99Å
5E36.1Very low46.7Very low95 Ų95106 Ų10644%0.44457%0.568SS.*THydrogen-bonded Turntrans-94.8-24.4-151.3-73.6105.5153.200112.8M1 A2 L3M1-E5 VanDerWaalsContact CA-CD 3.46Å; M1-E5 WeakPolarHBondContact CA-OE1 3.19Å; M1-E5 WeakPolarHBondContact CA-OE2 3.19Å; M1-E5 VanDerWaalsContact N-CD 3.34Å; M1-E5 PolarHBondContact N-OE1 2.88Å; M1-E5 PolarHBondContact N-OE2 2.9Å; A2-E5 WeakPolarHBondContact CA-OE2 3.41Å; A2-E5 PolarHBondContact N-OE2 2.95Å; L3-E5 VanDerWaalsContact C-N 3.33Å; L3-E5 PolarHBondContact N-OE2 3.28Å
6D43.4Very low47.4Very low106 Ų106102.4 Ų102.457%0.56755%0.551SS**THydrogen-bonded Turntrans-114.134.2163.9-81.5-40.8000108.6L9D6-L9 VanDerWaalsContact C-CB 3.4Å; D6-L9 HydrophobicContact CB-CD1 3.53Å; D6-L9 HydrophobicContact CB-CD2 4.28Å; D6-L9 HydrophobicContact CB-CG 4.4Å; D6-L9 WeakPolarHBondContact O-CB 3.1Å; D6-L9 WeakPolarHBondContact O-CD1 3.34Å; D6-L9 WeakPolarHBondContact O-CD2 3.38Å; D6-L9 WeakPolarHBondContact O-CG 3.42Å; D6-L9 VanDerWaalsContact OD1-CD1 3.22Å; D6-L9 WeakPolarHBondContact OD1-CD1 3.19Å
7V44.1Very low48.4Very low87 Ų8798.6 Ų98.653%0.52753%0.529SS..THydrogen-bonded Turntrans-139-15.4-161.4172.50000115.1L3 S4 L9 N11L3-V7 WeakPolarHBondContact O-CB 3.4Å; L3-V7 WeakPolarHBondContact O-CG2 3.1Å; S4-V7 PolarHBondContact O-N 2.75Å; V7-L9 PolarHBondContact O-N 3.02Å; V7-N11 PolarHBondContact O-OD1 3.26Å
8D53.2Low49.1Very low125 Ų12595.4 Ų95.467%0.66851%0.51SS*.SBendtrans-76.116.5141.9-87.3-23.9000111.3S4 F10 N11S4-D8 PolarHBondContact O-N 2.99Å; D8-F10 PolarHBondContact O-N 3.16Å; D8-N11 WeakPolarHBondContact CA-OD1 3.05Å; D8-N11 VanDerWaalsContact CG-ND2 3.32Å; D8-N11 PolarHBondContact O-N 3.43Å; D8-N11 PolarHBondContact O-OD1 2.96Å; D8-N11 PolarHBondContact OD1-ND2 3.28Å
9L35.5Very low49.9Very low95 Ų9594.6 Ų94.650%0.49750%0.499SS..THydrogen-bonded Turntrans-55.698.8-158.5-150.363.7000112.5D6 V7 N11D6-L9 VanDerWaalsContact C-CB 3.4Å; D6-L9 HydrophobicContact CB-CD1 3.53Å; D6-L9 HydrophobicContact CB-CD2 4.28Å; D6-L9 HydrophobicContact CB-CG 4.4Å; D6-L9 WeakPolarHBondContact O-CB 3.1Å; D6-L9 WeakPolarHBondContact O-CD1 3.34Å; D6-L9 WeakPolarHBondContact O-CD2 3.38Å; D6-L9 WeakPolarHBondContact O-CG 3.42Å; D6-L9 VanDerWaalsContact OD1-CD1 3.22Å; D6-L9 WeakPolarHBondContact OD1-CD1 3.19Å; V7-L9 PolarHBondContact O-N 3.02Å; L9-N11 PolarHBondContact O-N 2.73Å
10F55.2Low50.7Low92 Ų9295.4 Ų95.440%0.40451%0.508SS..Hα-helixtrans54.919.2-174.9-165.6-7.5000112D8 V12 E13 S14 I46D8-F10 PolarHBondContact O-N 3.16Å; F10-V12 CarbonylContact O-C 3.53Å; F10-V12 VanDerWaalsContact O-C 3.29Å; F10-V12 WeakPolarHBondContact O-CA 3.41Å; F10-V12 PolarHBondContact O-N 3.23Å; F10-E13 VanDerWaalsContact CD1-C 3.42Å; F10-E13 HydrophobicContact CD2-CB 3.81Å; F10-E13 HydrophobicContact CD2-CG 3.63Å; F10-E13 HydrophobicContact CE2-CB 3.58Å; F10-E13 HydrophobicContact CE2-CG 3.81Å; F10-E13 HydrophobicContact CG-CB 4.26Å; F10-E13 HydrophobicContact CG-CG 4.24Å; F10-E13 HydrophobicContact CZ-CB 3.94Å; F10-E13 VanDerWaalsContact CZ-O 3.29Å; F10-E13 WeakPolarHBondContact CZ-O 3.25Å; F10-E13 PolarHBondContact O-N 2.73Å; F10-S14 VanDerWaalsContact CE1-CA 3.42Å; F10-S14 WeakPolarHBondContact CE1-OG 3.37Å; F10-S14 VanDerWaalsContact CZ-N 3.33Å; F10-S14 WeakPolarHBondContact CZ-OG 3.27Å; F10-S14 PolarHBondContact O-N 3.02Å; F10-I46 HydrophobicContact CD1-CD1 4.16Å; F10-I46 HydrophobicContact CD2-CD1 4.27Å; F10-I46 HydrophobicContact CE1-CD1 3.28Å; F10-I46 HydrophobicContact CE1-CG1 3.85Å; F10-I46 HydrophobicContact CE2-CD1 3.53Å; F10-I46 HydrophobicContact CZ-CD1 3.05Å; F10-I46 HydrophobicContact CZ-CG1 3.77Å
11N50Low52.1Low86 Ų8694.7 Ų94.746%0.4650%0.504SS..Hα-helixtrans-12.599.5-156.9-93.2-13.1000117.9V7 D8 L9V7-N11 PolarHBondContact O-OD1 3.26Å; D8-N11 WeakPolarHBondContact CA-OD1 3.05Å; D8-N11 VanDerWaalsContact CG-ND2 3.32Å; D8-N11 PolarHBondContact O-N 3.43Å; D8-N11 PolarHBondContact O-OD1 2.96Å; D8-N11 PolarHBondContact OD1-ND2 3.28Å; L9-N11 PolarHBondContact O-N 2.73Å
12V51Low54Low96 Ų9685 Ų8558%0.58246%0.457SS*.Hα-helixcis-96.2123.1-44.9169.90000104.2F10 S14 F15 T16F10-V12 CarbonylContact O-C 3.53Å; F10-V12 VanDerWaalsContact O-C 3.29Å; F10-V12 WeakPolarHBondContact O-CA 3.41Å; F10-V12 PolarHBondContact O-N 3.23Å; V12-S14 VanDerWaalsContact C-N 3.3Å; V12-S14 PolarHBondContact O-N 3.33Å; V12-F15 WeakPolarHBondContact O-CA 3.28Å; V12-F15 WeakPolarHBondContact O-CB 3.39Å; V12-F15 PolarHBondContact O-N 2.93Å; V12-T16 WeakPolarHBondContact O-CG2 3.46Å
13E52.7Low56.1Low129 Ų12983.9 Ų83.960%0.60345%0.447SS*.Hα-helixtrans48.341.8-173.7-54.1-15814700117.2F10 F15 T16 E17F10-E13 VanDerWaalsContact CD1-C 3.42Å; F10-E13 HydrophobicContact CD2-CB 3.81Å; F10-E13 HydrophobicContact CD2-CG 3.63Å; F10-E13 HydrophobicContact CE2-CB 3.58Å; F10-E13 HydrophobicContact CE2-CG 3.81Å; F10-E13 HydrophobicContact CG-CB 4.26Å; F10-E13 HydrophobicContact CG-CG 4.24Å; F10-E13 HydrophobicContact CZ-CB 3.94Å; F10-E13 VanDerWaalsContact CZ-O 3.29Å; F10-E13 WeakPolarHBondContact CZ-O 3.25Å; F10-E13 PolarHBondContact O-N 2.73Å; E13-F15 PolarHBondContact O-N 3.26Å; E13-T16 HydrophobicContact CB-CG2 4.09Å; E13-T16 WeakPolarHBondContact O-CA 3.44Å; E13-E17 PolarHBondContact O-N 2.92Å; E13-E17 VanDerWaalsContact O-N 3.14Å
14S55.1Low58.6Low44 Ų4478.2 Ų78.231%0.30842%0.421SS..Hα-helixtrans4350.1-168.757.70000109.5F10 V12 T16 E17F10-S14 VanDerWaalsContact CE1-CA 3.42Å; F10-S14 WeakPolarHBondContact CE1-OG 3.37Å; F10-S14 VanDerWaalsContact CZ-N 3.33Å; F10-S14 WeakPolarHBondContact CZ-OG 3.27Å; F10-S14 PolarHBondContact O-N 3.02Å; V12-S14 VanDerWaalsContact C-N 3.3Å; V12-S14 PolarHBondContact O-N 3.33Å; S14-T16 VanDerWaalsContact C-N 3.28Å; S14-T16 CarbonylContact O-C 3.52Å; S14-T16 WeakPolarHBondContact O-CA 3.04Å; S14-T16 PolarHBondContact O-N 3.31Å; S14-E17 PolarHBondContact O-N 3.33Å
15F51.5Low60.5Low146 Ų14676.1 Ų76.164%0.6440%0.403SS*.Hα-helixtrans-4.381.1175.6179.8-125.1000112.6V12 E13V12-F15 WeakPolarHBondContact O-CA 3.28Å; V12-F15 WeakPolarHBondContact O-CB 3.39Å; V12-F15 PolarHBondContact O-N 2.93Å; E13-F15 PolarHBondContact O-N 3.26Å
16T57.5Low63.1Low48 Ų4871.6 Ų71.629%0.29438%0.381SS..Hα-helixcis-147.497.6-8.52.20000105.3V12 E13 S14 K18 T20V12-T16 WeakPolarHBondContact O-CG2 3.46Å; E13-T16 HydrophobicContact CB-CG2 4.09Å; E13-T16 WeakPolarHBondContact O-CA 3.44Å; S14-T16 VanDerWaalsContact C-N 3.28Å; S14-T16 CarbonylContact O-C 3.52Å; S14-T16 WeakPolarHBondContact O-CA 3.04Å; S14-T16 PolarHBondContact O-N 3.31Å; T16-K18 PolarHBondContact O-N 2.91Å; T16-T20 PolarHBondContact O-N 3.38Å; T16-T20 VanDerWaalsContact O-N 3.12Å; T16-T20 PolarHBondContact O-OG1 3.46Å
17E65Low65.4Low38 Ų3869.9 Ų69.918%0.17838%0.375CS..Hα-helixtrans39.140.4-151.1-152.6-141.5-147.400115.6E13 S14 Y19 S22 S47 S48 K108E13-E17 PolarHBondContact O-N 2.92Å; E13-E17 VanDerWaalsContact O-N 3.14Å; S14-E17 PolarHBondContact O-N 3.33Å; E17-Y19 PolarHBondContact O-N 2.95Å; E17-S22 PolarHBondContact OE2-OG 3.36Å; E17-S47 WeakPolarHBondContact CG-OG 3.11Å; E17-S47 VanDerWaalsContact OE1-C 3.27Å; E17-S47 WeakPolarHBondContact OE1-CA 3.5Å; E17-S47 VanDerWaalsContact OE1-CB 3.3Å; E17-S47 WeakPolarHBondContact OE1-CB 3.35Å; E17-S47 PolarHBondContact OE1-OG 3.1Å; E17-S47 PolarHBondContact OE2-OG 3.35Å; E17-S48 PolarHBondContact OE1-N 3.15Å; E17-S48 PolarHBondContact OE1-OG 2.83Å; E17-K108 PolarHBondContact O-NZ 3.34Å; E17-K108 IonicContact OE2-NZ 3.34Å; E17-K108 PolarHBondContact OE2-NZ 3.41Å
18K59.4Low67.7Low42 Ų4271.4 Ų71.418%0.18337%0.372CS..THydrogen-bonded Turntrans24.774.5178.7-86.7172.5167.1173.10115.1T16 K108 G109 T113T16-K18 PolarHBondContact O-N 2.91Å; K18-K108 VanDerWaalsContact CD-O 3.32Å; K18-K108 WeakPolarHBondContact CD-O 3.34Å; K18-K108 WeakPolarHBondContact O-CD 3.36Å; K18-K108 WeakPolarHBondContact O-CE 3.41Å; K18-K108 WeakPolarHBondContact O-CG 3.34Å; K18-K108 PolarHBondContact O-NZ 3.36Å; K18-K108 VanDerWaalsContact O-NZ 3.17Å; K18-G109 VanDerWaalsContact CE-C 3.45Å; K18-G109 WeakPolarHBondContact CE-O 3.32Å; K18-G109 PolarHBondContact NZ-O 3.13Å; K18-T113 VanDerWaalsContact CE-OG1 3.3Å; K18-T113 WeakPolarHBondContact CE-OG1 3.37Å; K18-T113 PolarHBondContact NZ-OG1 3.01Å
19Y64.8Low69.6Low79 Ų7965.5 Ų65.531%0.3134%0.34SS..THydrogen-bonded Turncis-141.482.20.5-70.1-83.4000106.8E17 D21 L148E17-Y19 PolarHBondContact O-N 2.95Å; Y19-D21 PolarHBondContact O-N 2.96Å; Y19-D21 VanDerWaalsContact O-N 3.1Å; Y19-L148 HydrophobicContact CD1-CD2 4.45Å; Y19-L148 HydrophobicContact CD2-CD2 4.16Å; Y19-L148 HydrophobicContact CE1-CD2 3.86Å; Y19-L148 HydrophobicContact CE1-CG 4.4Å; Y19-L148 HydrophobicContact CE2-CD2 3.51Å; Y19-L148 HydrophobicContact CE2-CG 3.69Å; Y19-L148 WeakPolarHBondContact OH-CD1 3.36Å; Y19-L148 WeakPolarHBondContact OH-CG 3.4Å
20T66.6Low72.4Confident110 Ų11067.7 Ų67.768%0.67534%0.342SS*.SBendtrans50.224.1166.3-16.90000121.9T16T16-T20 PolarHBondContact O-N 3.38Å; T16-T20 VanDerWaalsContact O-N 3.12Å; T16-T20 PolarHBondContact O-OG1 3.46Å
21D79.4Confident74.3Confident81 Ų8171.5 Ų71.543%0.43335%0.354SS..  trans-142.164.1160.7-161.2-11.7000113.1Y19 A23 A24 F25Y19-D21 PolarHBondContact O-N 2.96Å; Y19-D21 VanDerWaalsContact O-N 3.1Å; D21-A23 PolarHBondContact O-N 2.75Å; D21-A23 VanDerWaalsContact O-N 3.1Å; D21-A23 WeakPolarHBondContact OD1-CB 3.17Å; D21-A23 PolarHBondContact OD1-N 2.89Å; D21-A24 HydrophobicContact CB-CB 3.95Å; D21-A24 PolarHBondContact O-N 3.38Å; D21-A24 VanDerWaalsContact O-N 3.09Å; D21-A24 WeakPolarHBondContact OD1-CB 3.26Å; D21-A24 PolarHBondContact OD1-N 3.21Å; D21-A24 WeakPolarHBondContact OD2-CB 3.28Å; D21-F25 WeakPolarHBondContact O-CD2 3.48Å; D21-F25 WeakPolarHBondContact O-CG 3.48Å; D21-F25 PolarHBondContact O-N 3.36Å
22S84.2Confident76.4Confident4 Ų474 Ų743%0.02836%0.358CS..Hα-helixtrans-56.2-25174.7-800000113.3E17 A26 Y52 K108E17-S22 PolarHBondContact OE2-OG 3.36Å; S22-A26 VanDerWaalsContact O-CB 3.27Å; S22-A26 WeakPolarHBondContact O-CB 3.47Å; S22-A26 PolarHBondContact O-N 3.35Å; S22-Y52 VanDerWaalsContact CB-CD2 3.42Å; S22-K108 PolarHBondContact OG-NZ 3.4Å
23A86.5Confident78.6Confident35 Ų3570 Ų7029%0.28933%0.334SS..Hα-helixtrans-71.5-46.1174.100000112.1D21 A26 T27 Y52D21-A23 PolarHBondContact O-N 2.75Å; D21-A23 VanDerWaalsContact O-N 3.1Å; D21-A23 WeakPolarHBondContact OD1-CB 3.17Å; D21-A23 PolarHBondContact OD1-N 2.89Å; A23-A26 PolarHBondContact O-N 3.47Å; A23-T27 PolarHBondContact O-N 3.38Å; A23-T27 PolarHBondContact O-OG1 2.79Å; A23-Y52 HydrophobicContact CB-CD1 3.66Å; A23-Y52 HydrophobicContact CB-CE1 3.63Å; A23-Y52 HydrophobicContact CB-CG 4.3Å
24A89.7Confident80.7Confident25 Ų2570.8 Ų70.821%0.20734%0.336CS..Hα-helixtrans-65.8-42.117400000111.4D21 A26 T27 Y28D21-A24 HydrophobicContact CB-CB 3.95Å; D21-A24 PolarHBondContact O-N 3.38Å; D21-A24 VanDerWaalsContact O-N 3.09Å; D21-A24 WeakPolarHBondContact OD1-CB 3.26Å; D21-A24 PolarHBondContact OD1-N 3.21Å; D21-A24 WeakPolarHBondContact OD2-CB 3.28Å; A24-A26 VanDerWaalsContact C-N 3.3Å; A24-A26 PolarHBondContact O-N 3.05Å; A24-T27 CarbonylContact O-C 3.5Å; A24-T27 WeakPolarHBondContact O-CA 3.29Å; A24-T27 VanDerWaalsContact O-CB 3.25Å; A24-T27 WeakPolarHBondContact O-CB 3.41Å; A24-T27 PolarHBondContact O-N 2.92Å; A24-Y28 HydrophobicContact CB-CE2 4.19Å; A24-Y28 WeakPolarHBondContact O-CD2 3.41Å; A24-Y28 PolarHBondContact O-N 3.09Å
25F90.3Very high82.7Confident36 Ų3672 Ų7216%0.15834%0.341CS..Hα-helixtrans-59.2-42.2174.3-62.7-42.7000111.7D21 T27 Y28 V29 F49 K108 I146D21-F25 WeakPolarHBondContact O-CD2 3.48Å; D21-F25 WeakPolarHBondContact O-CG 3.48Å; D21-F25 PolarHBondContact O-N 3.36Å; F25-T27 PolarHBondContact O-N 2.86Å; F25-Y28 HydrophobicContact CD1-CD2 4.3Å; F25-Y28 PolarHBondContact O-N 2.75Å; F25-Y28 VanDerWaalsContact O-N 3.15Å; F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 2.92Å; F25-F49 HydrophobicContact CB-CD2 4.06Å; F25-F49 HydrophobicContact CB-CE2 3.52Å; F25-F49 HydrophobicContact CB-CZ 4.42Å; F25-K108 HydrophobicContact CD2-CD 4.05Å; F25-K108 HydrophobicContact CE2-CD 4.48Å; F25-I146 HydrophobicContact CB-CD1 3.8Å; F25-I146 HydrophobicContact CD1-CD1 3.72Å; F25-I146 HydrophobicContact CD1-CG1 4.23Å; F25-I146 HydrophobicContact CD1-CG2 4.14Å; F25-I146 HydrophobicContact CD2-CD1 4.31Å; F25-I146 HydrophobicContact CE1-CD1 4.39Å; F25-I146 HydrophobicContact CE1-CG2 3.69Å; F25-I146 HydrophobicContact CE2-CG2 4.26Å; F25-I146 HydrophobicContact CG-CD1 3.69Å; F25-I146 HydrophobicContact CZ-CG2 3.76Å
26A91Very high84.8Confident0 Ų069.4 Ų69.40%034%0.337CS..Hα-helixtrans-63.9-34.2174.800000111.7S22 A23 A24 V29 R30 F49 L53S22-A26 VanDerWaalsContact O-CB 3.27Å; S22-A26 WeakPolarHBondContact O-CB 3.47Å; S22-A26 PolarHBondContact O-N 3.35Å; A23-A26 PolarHBondContact O-N 3.47Å; A24-A26 VanDerWaalsContact C-N 3.3Å; A24-A26 PolarHBondContact O-N 3.05Å; A26-V29 PolarHBondContact O-N 2.79Å; A26-R30 WeakPolarHBondContact O-CB 3.35Å; A26-R30 PolarHBondContact O-N 3.12Å; A26-F49 HydrophobicContact CB-CE2 4.34Å; A26-L53 HydrophobicContact CB-CD2 3.94Å; A26-L53 HydrophobicContact CB-CG 4.35Å
27T91.1Very high86.7Confident69 Ų6968 Ų6842%0.42333%0.328SS..Hα-helixtrans-65.6-41173-58.40000111.8A23 A24 F25 R30 R31A23-T27 PolarHBondContact O-N 3.38Å; A23-T27 PolarHBondContact O-OG1 2.79Å; A24-T27 CarbonylContact O-C 3.5Å; A24-T27 WeakPolarHBondContact O-CA 3.29Å; A24-T27 VanDerWaalsContact O-CB 3.25Å; A24-T27 WeakPolarHBondContact O-CB 3.41Å; A24-T27 PolarHBondContact O-N 2.92Å; F25-T27 PolarHBondContact O-N 2.86Å; T27-R30 PolarHBondContact O-N 3.05Å; T27-R31 PolarHBondContact O-N 3.04Å
28Y91.7Very high88.3Confident120 Ų12067.3 Ų67.347%0.47133%0.328SS..Hα-helixtrans-64.4-45.4174.3-70.7-63.9000111.5A24 F25 R30 R31 Y32A24-Y28 HydrophobicContact CB-CE2 4.19Å; A24-Y28 WeakPolarHBondContact O-CD2 3.41Å; A24-Y28 PolarHBondContact O-N 3.09Å; F25-Y28 HydrophobicContact CD1-CD2 4.3Å; F25-Y28 PolarHBondContact O-N 2.75Å; F25-Y28 VanDerWaalsContact O-N 3.15Å; Y28-R30 VanDerWaalsContact C-N 3.27Å; Y28-R30 PolarHBondContact O-N 2.93Å; Y28-R31 WeakPolarHBondContact O-CB 3.49Å; Y28-R31 PolarHBondContact O-N 3.15Å; Y28-Y32 WeakPolarHBondContact O-CD2 3.49Å
29V94.4Very high90.2Very high1 Ų165.3 Ų65.31%0.00632%0.319CS..Hα-helixtrans-57.7-42.4174174.10000110.8F25 A26 R31 Y32 A33 I39 F49 L53 F58 V106 I144F25-V29 WeakPolarHBondContact O-CG2 3.35Å; F25-V29 PolarHBondContact O-N 2.92Å; A26-V29 PolarHBondContact O-N 2.79Å; V29-R31 PolarHBondContact O-N 3.05Å; V29-R31 VanDerWaalsContact O-N 3.16Å; V29-Y32 CarbonylContact O-C 3.58Å; V29-Y32 PolarHBondContact O-N 2.88Å; V29-A33 HydrophobicContact CG1-CB 4.09Å; V29-A33 WeakPolarHBondContact O-CB 3.06Å; V29-A33 PolarHBondContact O-N 2.86Å; V29-I39 HydrophobicContact CG1-CD1 4.18Å; V29-F49 HydrophobicContact CG2-CZ 3.89Å; V29-L53 HydrophobicContact CB-CD2 3.85Å; V29-L53 HydrophobicContact CG1-CD2 3.77Å; V29-L53 HydrophobicContact CG2-CD2 4.29Å; V29-F58 HydrophobicContact CG1-CE2 4.38Å; V29-F58 HydrophobicContact CG1-CZ 4.18Å; V29-V106 HydrophobicContact CG1-CG2 4.48Å; V29-V106 HydrophobicContact CG2-CG1 4.36Å; V29-V106 HydrophobicContact CG2-CG2 4.06Å; V29-I144 HydrophobicContact CG1-CD1 4.49Å; V29-I144 HydrophobicContact CG2-CD1 4.21Å
30R93.5Very high91.8Very high140 Ų14061.6 Ų61.653%0.52830%0.304SS..Hα-helixtrans-61.2-22.7176.7-172.6172.1176.5152.1-3.1114.4A26 T27 Y28 Y32 S56 F58A26-R30 WeakPolarHBondContact O-CB 3.35Å; A26-R30 PolarHBondContact O-N 3.12Å; T27-R30 PolarHBondContact O-N 3.05Å; Y28-R30 VanDerWaalsContact C-N 3.27Å; Y28-R30 PolarHBondContact O-N 2.93Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; R30-S56 PolarHBondContact NH1-O 3.1Å; R30-F58 HydrophobicContact CB-CE2 4.14Å; R30-F58 HydrophobicContact CB-CZ 4.33Å
31R94.3Very high93.3Very high172 Ų17256.4 Ų56.465%0.64927%0.272SS*.Hα-helixtrans-75.8-24174.3-67.7177.9-178.6-173.21.5112.9T27 Y28 V29T27-R31 PolarHBondContact O-N 3.04Å; Y28-R31 WeakPolarHBondContact O-CB 3.49Å; Y28-R31 PolarHBondContact O-N 3.15Å; V29-R31 PolarHBondContact O-N 3.05Å; V29-R31 VanDerWaalsContact O-N 3.16Å
32Y95.5Very high94.2Very high140 Ų14052.6 Ų52.655%0.54925%0.252SS..Hα-helixtrans-115.3-5.5-174.3-59.3-70.6000113.8Y28 V29 R30 R142Y28-Y32 WeakPolarHBondContact O-CD2 3.49Å; V29-Y32 CarbonylContact O-C 3.58Å; V29-Y32 PolarHBondContact O-N 2.88Å; R30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-R142 WeakPolarHBondContact O-CD 3.46Å; Y32-R142 PolarHBondContact O-NE 3.38Å
33A96.6Very high94.8Very high11 Ų1153.5 Ų53.59%0.09126%0.262CS..SBendtrans-129.9148-17900000111.8V29 F58 V104V29-A33 HydrophobicContact CG1-CB 4.09Å; V29-A33 WeakPolarHBondContact O-CB 3.06Å; V29-A33 PolarHBondContact O-N 2.86Å; A33-F58 HydrophobicContact CB-CE1 3.75Å; A33-F58 HydrophobicContact CB-CZ 3.86Å; A33-V104 HydrophobicContact CB-CG2 3.8Å
34K96.5Very high95.3Very high145 Ų14552 Ų5263%0.6325%0.249SC*.  trans-88.9146174.1-56.3170.5-176.4171.30109.4T36 D37 F58K34-T36 PolarHBondContact O-N 2.88Å; K34-D37 PolarHBondContact N-OD2 2.87Å; K34-D37 WeakPolarHBondContact O-CB 3.18Å; K34-D37 PolarHBondContact O-N 2.84Å; K34-F58 WeakPolarHBondContact O-CE1 3.4Å
35V96.4Very high95.4Very high69 Ų6951.6 Ų51.642%0.41825%0.248SC..THydrogen-bonded Turntrans-59.4-17.3178.3-64.30000114.3
36T96.7Very high95.5Very high92 Ų9251.2 Ų51.256%0.56425%0.247SC*.THydrogen-bonded Turntrans-84.1-14.8175.750.80000114.4K34K34-T36 PolarHBondContact O-N 2.88Å
37D98.1Very high95.6Very high20 Ų2051.5 Ų51.511%0.10725%0.249CC..SBendtrans-66.5145.4-175.5-69.8-10.5000111.2K34 N103 V104K34-D37 PolarHBondContact N-OD2 2.87Å; K34-D37 WeakPolarHBondContact O-CB 3.18Å; K34-D37 PolarHBondContact O-N 2.84Å; D37-N103 WeakPolarHBondContact CA-OD1 3.33Å; D37-N103 HydrophobicContact CB-CB 3.87Å; D37-V104 HydrophobicContact CB-CG2 4.45Å
38S98.2Very high95.7Very high23 Ų2349.5 Ų49.516%0.16124%0.238CC..  trans-79.6128164.951.60000110E101 F102 N103 V104S38-E101 PolarHBondContact OG-O 3.28Å; S38-E101 VanDerWaalsContact OG-O 3.05Å; S38-F102 WeakPolarHBondContact OG-CA 3.43Å; S38-N103 PolarHBondContact N-OD1 2.86Å; S38-N103 PolarHBondContact O-N 2.84Å; S38-N103 PolarHBondContact OG-N 3.11Å; S38-N103 VanDerWaalsContact OG-N 3.15Å; S38-N103 PolarHBondContact OG-OD1 3.42Å; S38-V104 PolarHBondContact O-N 3.33Å; S38-V104 VanDerWaalsContact O-N 3.1Å
39I98.7Very high95.8Very high0 Ų043.8 Ų43.80%022%0.216CC..EExtended strand (participates in β ladder)trans-116.1131.8-178-57.9-173.9000110V29 L53 F58 K60 I61 T62 V104 V106V29-I39 HydrophobicContact CG1-CD1 4.18Å; I39-L53 HydrophobicContact CG2-CD1 4.32Å; I39-F58 HydrophobicContact CD1-CB 4.24Å; I39-F58 HydrophobicContact CD1-CD1 3.38Å; I39-F58 HydrophobicContact CD1-CD2 4.24Å; I39-F58 HydrophobicContact CD1-CE1 3.63Å; I39-F58 HydrophobicContact CD1-CE2 4.46Å; I39-F58 HydrophobicContact CD1-CG 3.71Å; I39-F58 HydrophobicContact CD1-CZ 4.18Å; I39-F58 HydrophobicContact CG1-CD1 4.31Å; I39-K60 PolarHBondContact N-O 2.93Å; I39-I61 HydrophobicContact CB-CG1 4.42Å; I39-I61 WeakPolarHBondContact O-CA 3.36Å; I39-T62 PolarHBondContact O-N 3.04Å; I39-V104 CarbonylContact C-O 3.53Å; I39-V104 WeakPolarHBondContact CA-O 3.39Å; I39-V104 HydrophobicContact CG1-CB 4.25Å; I39-V106 HydrophobicContact CG2-CG2 4.04Å
40L98.7Very high96Very high0 Ų043.8 Ų43.80%022%0.215CC..EExtended strand (participates in β ladder)trans-106.7117.4165.7178.863.8000110.1V42 T62 I64 M94 F97 F102 V104 V105 V106 V136L40-V42 HydrophobicContact CD2-CG1 3.95Å; L40-V42 HydrophobicContact CG-CG1 3.92Å; L40-T62 CarbonylContact C-O 3.14Å; L40-T62 VanDerWaalsContact CA-O 3.26Å; L40-T62 WeakPolarHBondContact CA-O 3.39Å; L40-T62 HydrophobicContact CD1-CG2 4.13Å; L40-I64 HydrophobicContact CD1-CD1 4.48Å; L40-I64 HydrophobicContact CD1-CG1 4.28Å; L40-I64 HydrophobicContact CD1-CG2 3.95Å; L40-M94 HydrophobicContact CD2-CE 4.26Å; L40-M94 HydrophobicContact CD2-SD 3.9Å; L40-F97 HydrophobicContact CD1-CE2 3.96Å; L40-F97 HydrophobicContact CD1-CZ 4.25Å; L40-F102 HydrophobicContact CB-CB 4.2Å; L40-F102 HydrophobicContact CB-CD1 3.67Å; L40-F102 HydrophobicContact CB-CD2 3.89Å; L40-F102 HydrophobicContact CB-CE1 3.96Å; L40-F102 HydrophobicContact CB-CE2 4.16Å; L40-F102 HydrophobicContact CB-CG 3.63Å; L40-F102 HydrophobicContact CB-CZ 4.2Å; L40-F102 HydrophobicContact CD1-CE1 4.47Å; L40-F102 HydrophobicContact CD1-CE2 4.32Å; L40-F102 HydrophobicContact CD1-CZ 4.13Å; L40-F102 HydrophobicContact CD2-CD2 3.94Å; L40-F102 HydrophobicContact CD2-CE2 3.96Å; L40-F102 HydrophobicContact CG-CD2 4.43Å; L40-F102 HydrophobicContact CG-CE2 4.38Å; L40-V104 PolarHBondContact N-O 3.13Å; L40-V105 HydrophobicContact CB-CG2 4.22Å; L40-V105 HydrophobicContact CD2-CG1 4.48Å; L40-V105 HydrophobicContact CD2-CG2 4.28Å; L40-V105 CarbonylContact O-C 3.36Å; L40-V105 WeakPolarHBondContact O-CA 3.37Å; L40-V106 PolarHBondContact O-N 3.46Å; L40-V136 HydrophobicContact CD2-CG2 3.93Å
41E98.5Very high96.1Very high1 Ų138.3 Ų38.31%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-94.8117.2167.9178.8-166.9-164.200109.3C44 F49 T62 S63 I64 V106E41-C44 VanDerWaalsContact CD-CB 3.43Å; E41-C44 HydrophobicContact CG-CB 4.04Å; E41-C44 WeakPolarHBondContact OE2-CB 3.42Å; E41-F49 HydrophobicContact CG-CD1 4.06Å; E41-F49 HydrophobicContact CG-CE1 4.5Å; E41-F49 WeakPolarHBondContact OE1-CD1 3.41Å; E41-T62 PolarHBondContact N-O 2.93Å; E41-S63 CarbonylContact O-C 3.53Å; E41-S63 WeakPolarHBondContact O-CA 3.38Å; E41-S63 VanDerWaalsContact OE2-CB 3.29Å; E41-S63 WeakPolarHBondContact OE2-CB 3.22Å; E41-S63 PolarHBondContact OE2-OG 2.9Å; E41-I64 PolarHBondContact O-N 3.06Å; E41-V106 WeakPolarHBondContact CA-O 3.4Å
42V98.4Very high96.2Very high1 Ų135 Ų351%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-95.2133.8179.5-59.50000111.5L40 I64 V91 V105 V106 D107 T110L40-V42 HydrophobicContact CD2-CG1 3.95Å; L40-V42 HydrophobicContact CG-CG1 3.92Å; V42-I64 HydrophobicContact CB-CD1 4.44Å; V42-I64 HydrophobicContact CB-CG1 4.3Å; V42-I64 HydrophobicContact CG1-CD1 4.02Å; V42-I64 HydrophobicContact CG1-CG1 4.16Å; V42-V91 HydrophobicContact CB-CB 4.35Å; V42-V91 HydrophobicContact CB-CG2 3.86Å; V42-V91 HydrophobicContact CG1-CG2 3.82Å; V42-V91 HydrophobicContact CG2-CG2 4.21Å; V42-V105 HydrophobicContact CG1-CG1 3.97Å; V42-V106 PolarHBondContact N-O 2.91Å; V42-D107 HydrophobicContact CG2-CB 3.8Å; V42-T110 HydrophobicContact CG2-CG2 4.33Å; V42-T110 PolarHBondContact O-OG1 2.7Å
43G96.6Very high96.3Very high23 Ų2328.4 Ų28.424%0.23716%0.158CC..SBendtrans63.650.4-179.200000112.8G45 I64 T110G43-G45 PolarHBondContact O-N 3.1Å; G43-G45 VanDerWaalsContact O-N 3.09Å; G43-I64 WeakPolarHBondContact CA-O 3.36Å; G43-I64 PolarHBondContact N-O 2.93Å; G43-T110 WeakPolarHBondContact CA-OG1 3.2Å
44C95.7Very high96.3Very high3 Ų329.9 Ų29.92%0.0216%0.162CC..  trans-62.1-21.6-171.768.20000113.9E41 S47 I64E41-C44 VanDerWaalsContact CD-CB 3.43Å; E41-C44 HydrophobicContact CG-CB 4.04Å; E41-C44 WeakPolarHBondContact OE2-CB 3.42Å; C44-S47 VanDerWaalsContact O-CB 3.24Å; C44-S47 WeakPolarHBondContact O-CB 3.34Å; C44-S47 PolarHBondContact O-N 3.2Å; C44-S47 VanDerWaalsContact O-N 3.14Å; C44-I64 PolarHBondContact N-O 3.29Å
45G93.1Very high96.2Very high17 Ų1727.3 Ų27.318%0.17516%0.162CC..THydrogen-bonded Turntrans52.8-148.2-178.400000111G43 S47 D65 I70 Q74G43-G45 PolarHBondContact O-N 3.1Å; G43-G45 VanDerWaalsContact O-N 3.09Å; G45-S47 PolarHBondContact O-N 2.9Å; G45-D65 VanDerWaalsContact CA-OD2 3.31Å; G45-D65 WeakPolarHBondContact CA-OD2 3.29Å; G45-D65 PolarHBondContact N-OD2 2.84Å; G45-I70 WeakPolarHBondContact O-CG2 3.45Å; G45-Q74 PolarHBondContact O-NE2 2.75Å
46I91.7Very high96.2Very high29 Ų2925.1 Ų25.115%0.14915%0.149CC..THydrogen-bonded Turntrans-90.514.8173.766.7167.2000113.2F10 W69 I70 K73 Q74 R77F10-I46 HydrophobicContact CD1-CD1 4.16Å; F10-I46 HydrophobicContact CD2-CD1 4.27Å; F10-I46 HydrophobicContact CE1-CD1 3.28Å; F10-I46 HydrophobicContact CE1-CG1 3.85Å; F10-I46 HydrophobicContact CE2-CD1 3.53Å; F10-I46 HydrophobicContact CZ-CD1 3.05Å; F10-I46 HydrophobicContact CZ-CG1 3.77Å; I46-W69 HydrophobicContact CG2-CH2 3.78Å; I46-W69 HydrophobicContact CG2-CZ2 4.5Å; I46-W69 HydrophobicContact CG2-CZ3 4.22Å; I46-I70 HydrophobicContact CG2-CD1 4.47Å; I46-I70 HydrophobicContact CG2-CG1 4.09Å; I46-I70 HydrophobicContact CG2-CG2 4.2Å; I46-K73 HydrophobicContact CG2-CD 4.17Å; I46-Q74 VanDerWaalsContact C-NE2 3.3Å; I46-R77 PolarHBondContact O-NH1 2.76Å; I46-R77 PolarHBondContact O-NH2 3.18Å
47S92.4Very high96.1Very high5 Ų522 Ų224%0.03514%0.136CC..  trans-66.3142.2-176.2-176.40000113.1E17 C44 G45 F49 Q74 R77 K108E17-S47 WeakPolarHBondContact CG-OG 3.11Å; E17-S47 VanDerWaalsContact OE1-C 3.27Å; E17-S47 WeakPolarHBondContact OE1-CA 3.5Å; E17-S47 VanDerWaalsContact OE1-CB 3.3Å; E17-S47 WeakPolarHBondContact OE1-CB 3.35Å; E17-S47 PolarHBondContact OE1-OG 3.1Å; E17-S47 PolarHBondContact OE2-OG 3.35Å; C44-S47 VanDerWaalsContact O-CB 3.24Å; C44-S47 WeakPolarHBondContact O-CB 3.34Å; C44-S47 PolarHBondContact O-N 3.2Å; C44-S47 VanDerWaalsContact O-N 3.14Å; G45-S47 PolarHBondContact O-N 2.9Å; S47-F49 VanDerWaalsContact C-N 3.26Å; S47-F49 WeakPolarHBondContact OG-CB 3.32Å; S47-F49 PolarHBondContact OG-N 3.1Å; S47-F49 VanDerWaalsContact OG-N 3.09Å; S47-Q74 PolarHBondContact O-NE2 3.43Å; S47-R77 VanDerWaalsContact C-NH2 3.28Å; S47-R77 PolarHBondContact O-NH2 2.84Å; S47-K108 WeakPolarHBondContact OG-CE 3.34Å; S47-K108 PolarHBondContact OG-NZ 3.47Å
48S93.2Very high96.1Very high28 Ų2821.1 Ų21.120%0.19613%0.131CC..SBendtrans-77.12.9167.163.10000114.2E17 A50 E51 Y52E17-S48 PolarHBondContact OE1-N 3.15Å; E17-S48 PolarHBondContact OE1-OG 2.83Å; S48-A50 PolarHBondContact O-N 2.83Å; S48-E51 WeakPolarHBondContact O-CA 3.23Å; S48-E51 WeakPolarHBondContact O-CB 3.3Å; S48-E51 PolarHBondContact O-N 3.11Å; S48-Y52 WeakPolarHBondContact O-CD2 3.39Å; S48-Y52 PolarHBondContact O-N 3.43Å; S48-Y52 VanDerWaalsContact O-N 3.12Å; S48-Y52 WeakPolarHBondContact OG-CE2 3.48Å
49F95.5Very high96Very high0 Ų024.7 Ų24.70%014%0.144CC..Hα-helixtrans-53.8-46.6-177.4-179.5-117.3000113.5F25 A26 V29 E41 S47 E51 Y52 L53 V106 K108F25-F49 HydrophobicContact CB-CD2 4.06Å; F25-F49 HydrophobicContact CB-CE2 3.52Å; F25-F49 HydrophobicContact CB-CZ 4.42Å; A26-F49 HydrophobicContact CB-CE2 4.34Å; V29-F49 HydrophobicContact CG2-CZ 3.89Å; E41-F49 HydrophobicContact CG-CD1 4.06Å; E41-F49 HydrophobicContact CG-CE1 4.5Å; E41-F49 WeakPolarHBondContact OE1-CD1 3.41Å; S47-F49 VanDerWaalsContact C-N 3.26Å; S47-F49 WeakPolarHBondContact OG-CB 3.32Å; S47-F49 PolarHBondContact OG-N 3.1Å; S47-F49 VanDerWaalsContact OG-N 3.09Å; F49-E51 PolarHBondContact O-N 3.12Å; F49-Y52 PolarHBondContact O-N 2.78Å; F49-Y52 VanDerWaalsContact O-N 3.1Å; F49-L53 HydrophobicContact CD1-CD1 4.01Å; F49-L53 HydrophobicContact CE1-CD1 3.59Å; F49-L53 HydrophobicContact CE1-CG 4.17Å; F49-L53 HydrophobicContact CE2-CD2 4.39Å; F49-L53 HydrophobicContact CE2-CG 4.28Å; F49-L53 HydrophobicContact CZ-CD1 3.91Å; F49-L53 HydrophobicContact CZ-CD2 4.1Å; F49-L53 HydrophobicContact CZ-CG 4.05Å; F49-L53 PolarHBondContact O-N 3.45Å; F49-V106 HydrophobicContact CE1-CB 4.15Å; F49-V106 HydrophobicContact CE1-CG1 3.58Å; F49-V106 HydrophobicContact CZ-CG1 3.82Å; F49-K108 HydrophobicContact CB-CD 4.43Å; F49-K108 HydrophobicContact CD2-CD 4.41Å; F49-K108 HydrophobicContact CG-CD 4.25Å
50A96.8Very high96Very high0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-54.6-35.2171.900000113.3S48 Y54 I61 L84 F86S48-A50 PolarHBondContact O-N 2.83Å; A50-Y54 WeakPolarHBondContact O-CB 3.49Å; A50-Y54 PolarHBondContact O-N 3.49Å; A50-I61 HydrophobicContact CB-CG2 4.4Å; A50-L84 HydrophobicContact CB-CD1 4.36Å; A50-L84 HydrophobicContact CB-CD2 4.17Å; A50-F86 HydrophobicContact CB-CE1 4.33Å; A50-F86 HydrophobicContact CB-CZ 3.98Å
51E96.4Very high96Very high26 Ų2631.2 Ų31.212%0.12117%0.172CC..Hα-helixtrans-71-37.4179.1-50-170.7-166.500111.8S48 F49 Y54 S55 R77 N78 R81 L84S48-E51 WeakPolarHBondContact O-CA 3.23Å; S48-E51 WeakPolarHBondContact O-CB 3.3Å; S48-E51 PolarHBondContact O-N 3.11Å; F49-E51 PolarHBondContact O-N 3.12Å; E51-Y54 PolarHBondContact O-N 3.42Å; E51-S55 WeakPolarHBondContact O-CB 3.19Å; E51-S55 PolarHBondContact O-N 3.38Å; E51-S55 PolarHBondContact O-OG 2.85Å; E51-R77 WeakPolarHBondContact OE1-CD 3.37Å; E51-R77 IonicContact OE1-CZ 3.69Å; E51-R77 VanDerWaalsContact OE1-CZ 3.27Å; E51-R77 IonicContact OE1-NE 3.69Å; E51-R77 PolarHBondContact OE1-NE 2.84Å; E51-R77 IonicContact OE1-NH2 3.2Å; E51-R77 PolarHBondContact OE1-NH2 2.79Å; E51-N78 VanDerWaalsContact CG-OD1 3.29Å; E51-N78 WeakPolarHBondContact CG-OD1 3.33Å; E51-N78 PolarHBondContact OE1-ND2 2.92Å; E51-N78 PolarHBondContact OE1-OD1 3.2Å; E51-R81 IonicContact OE1-NH1 3.55Å; E51-R81 IonicContact OE2-CZ 3.14Å; E51-R81 IonicContact OE2-NH1 2.94Å; E51-R81 PolarHBondContact OE2-NH1 2.84Å; E51-R81 IonicContact OE2-NH2 2.78Å; E51-R81 PolarHBondContact OE2-NH2 2.68Å; E51-L84 HydrophobicContact CG-CD1 4.46Å
52Y96.2Very high96Very high103 Ų10331.9 Ų31.940%0.40418%0.177SC..Hα-helixtrans-70-39.9173.8-77-73.4000112.1S22 A23 S48 F49 Y54 S55 S56S22-Y52 VanDerWaalsContact CB-CD2 3.42Å; A23-Y52 HydrophobicContact CB-CD1 3.66Å; A23-Y52 HydrophobicContact CB-CE1 3.63Å; A23-Y52 HydrophobicContact CB-CG 4.3Å; S48-Y52 WeakPolarHBondContact O-CD2 3.39Å; S48-Y52 PolarHBondContact O-N 3.43Å; S48-Y52 VanDerWaalsContact O-N 3.12Å; S48-Y52 WeakPolarHBondContact OG-CE2 3.48Å; F49-Y52 PolarHBondContact O-N 2.78Å; F49-Y52 VanDerWaalsContact O-N 3.1Å; Y52-Y54 VanDerWaalsContact C-N 3.35Å; Y52-S55 PolarHBondContact O-N 2.93Å; Y52-S56 VanDerWaalsContact O-CB 3.28Å; Y52-S56 WeakPolarHBondContact O-CB 3.45Å; Y52-S56 PolarHBondContact O-N 3.23Å; Y52-S56 PolarHBondContact O-OG 2.95Å
53L97Very high96Very high0 Ų031.9 Ų31.90%018%0.177CC..Hα-helixtrans-58.7-47.5169.7-70.4176.1000110.9A26 V29 I39 F49 S55 S56 G57 F58 I61A26-L53 HydrophobicContact CB-CD2 3.94Å; A26-L53 HydrophobicContact CB-CG 4.35Å; V29-L53 HydrophobicContact CB-CD2 3.85Å; V29-L53 HydrophobicContact CG1-CD2 3.77Å; V29-L53 HydrophobicContact CG2-CD2 4.29Å; I39-L53 HydrophobicContact CG2-CD1 4.32Å; F49-L53 HydrophobicContact CD1-CD1 4.01Å; F49-L53 HydrophobicContact CE1-CD1 3.59Å; F49-L53 HydrophobicContact CE1-CG 4.17Å; F49-L53 HydrophobicContact CE2-CD2 4.39Å; F49-L53 HydrophobicContact CE2-CG 4.28Å; F49-L53 HydrophobicContact CZ-CD1 3.91Å; F49-L53 HydrophobicContact CZ-CD2 4.1Å; F49-L53 HydrophobicContact CZ-CG 4.05Å; F49-L53 PolarHBondContact O-N 3.45Å; L53-S55 VanDerWaalsContact C-N 3.33Å; L53-S55 PolarHBondContact O-N 3.45Å; L53-S56 CarbonylContact O-C 3.59Å; L53-S56 WeakPolarHBondContact O-CA 3.4Å; L53-S56 WeakPolarHBondContact O-CB 3.26Å; L53-S56 PolarHBondContact O-N 3.12Å; L53-G57 PolarHBondContact O-N 3.05Å; L53-F58 HydrophobicContact CB-CD2 4.26Å; L53-F58 HydrophobicContact CD2-CD2 4.05Å; L53-F58 HydrophobicContact CD2-CE2 4.11Å; L53-F58 WeakPolarHBondContact O-CD2 3.5Å; L53-F58 PolarHBondContact O-N 2.76Å; L53-I61 HydrophobicContact CB-CD1 3.69Å; L53-I61 HydrophobicContact CB-CG1 4.49Å
54Y97.2Very high96.1Very high43 Ų4330.8 Ų30.817%0.16917%0.166CC..Hα-helixtrans-60-42.8178.9-175-92.3000112.9A50 E51 Y52 S56 G57 F58 K59 R81 L84A50-Y54 WeakPolarHBondContact O-CB 3.49Å; A50-Y54 PolarHBondContact O-N 3.49Å; E51-Y54 PolarHBondContact O-N 3.42Å; Y52-Y54 VanDerWaalsContact C-N 3.35Å; Y54-S56 PolarHBondContact O-N 3.47Å; Y54-G57 PolarHBondContact O-N 3.08Å; Y54-F58 WeakPolarHBondContact CA-O 3.37Å; Y54-K59 HydrophobicContact CD2-CD 4Å; Y54-K59 VanDerWaalsContact CE1-NZ 3.31Å; Y54-K59 HydrophobicContact CE2-CD 3.52Å; Y54-K59 VanDerWaalsContact CZ-NZ 3.34Å; Y54-K59 PolarHBondContact O-NZ 3.02Å; Y54-R81 HydrophobicContact CD1-CB 4.38Å; Y54-R81 HydrophobicContact CD1-CG 4.15Å; Y54-R81 HydrophobicContact CD2-CB 4.35Å; Y54-R81 HydrophobicContact CE1-CB 4.14Å; Y54-R81 HydrophobicContact CE1-CG 4Å; Y54-R81 HydrophobicContact CE2-CB 4.11Å; Y54-R81 HydrophobicContact CG-CB 4.46Å; Y54-L84 HydrophobicContact CD2-CD2 4.01Å; Y54-L84 HydrophobicContact CD2-CG 3.85Å; Y54-L84 HydrophobicContact CG-CD1 4.45Å; Y54-L84 HydrophobicContact CG-CD2 4.34Å; Y54-L84 HydrophobicContact CG-CG 4.17Å
55S95.2Very high96.3Very high90 Ų9031.2 Ų31.263%0.62917%0.168SC*.Hα-helixtrans-69-26.6177.3-55.30000111.7E51 Y52 L53 G57E51-S55 WeakPolarHBondContact O-CB 3.19Å; E51-S55 PolarHBondContact O-N 3.38Å; E51-S55 PolarHBondContact O-OG 2.85Å; Y52-S55 PolarHBondContact O-N 2.93Å; L53-S55 VanDerWaalsContact C-N 3.33Å; L53-S55 PolarHBondContact O-N 3.45Å; S55-G57 PolarHBondContact O-N 2.83Å
56S94.9Very high96.5Very high23 Ų2337.7 Ų37.716%0.16119%0.188CC..THydrogen-bonded Turntrans-78.73.1173.6-59.80000114R30 Y52 L53 Y54R30-S56 PolarHBondContact NH1-O 3.1Å; Y52-S56 VanDerWaalsContact O-CB 3.28Å; Y52-S56 WeakPolarHBondContact O-CB 3.45Å; Y52-S56 PolarHBondContact O-N 3.23Å; Y52-S56 PolarHBondContact O-OG 2.95Å; L53-S56 CarbonylContact O-C 3.59Å; L53-S56 WeakPolarHBondContact O-CA 3.4Å; L53-S56 WeakPolarHBondContact O-CB 3.26Å; L53-S56 PolarHBondContact O-N 3.12Å; Y54-S56 PolarHBondContact O-N 3.47Å
57G95.7Very high96.7Very high28 Ų2837.8 Ų37.829%0.28919%0.189SC..THydrogen-bonded Turntrans105.4-10.6171.300000115.3L53 Y54 S55L53-G57 PolarHBondContact O-N 3.05Å; Y54-G57 PolarHBondContact O-N 3.08Å; S55-G57 PolarHBondContact O-N 2.83Å
58F97.9Very high96.9Very high0 Ų043.5 Ų43.50%021%0.214CC..  trans-68.4133.5174.4-62.9-79.8000110.6V29 R30 A33 K34 I39 L53 Y54 I61V29-F58 HydrophobicContact CG1-CE2 4.38Å; V29-F58 HydrophobicContact CG1-CZ 4.18Å; R30-F58 HydrophobicContact CB-CE2 4.14Å; R30-F58 HydrophobicContact CB-CZ 4.33Å; A33-F58 HydrophobicContact CB-CE1 3.75Å; A33-F58 HydrophobicContact CB-CZ 3.86Å; K34-F58 WeakPolarHBondContact O-CE1 3.4Å; I39-F58 HydrophobicContact CD1-CB 4.24Å; I39-F58 HydrophobicContact CD1-CD1 3.38Å; I39-F58 HydrophobicContact CD1-CD2 4.24Å; I39-F58 HydrophobicContact CD1-CE1 3.63Å; I39-F58 HydrophobicContact CD1-CE2 4.46Å; I39-F58 HydrophobicContact CD1-CG 3.71Å; I39-F58 HydrophobicContact CD1-CZ 4.18Å; I39-F58 HydrophobicContact CG1-CD1 4.31Å; L53-F58 HydrophobicContact CB-CD2 4.26Å; L53-F58 HydrophobicContact CD2-CD2 4.05Å; L53-F58 HydrophobicContact CD2-CE2 4.11Å; L53-F58 WeakPolarHBondContact O-CD2 3.5Å; L53-F58 PolarHBondContact O-N 2.76Å; Y54-F58 WeakPolarHBondContact CA-O 3.37Å; F58-I61 HydrophobicContact CB-CD1 3.78Å; F58-I61 HydrophobicContact CB-CG1 3.98Å
59K97.4Very high97Very high99 Ų9949 Ų4943%0.4323%0.231SC..  trans-125.64.1-176.8-58.4-60.2171.2-155.70114.7Y54 G83Y54-K59 HydrophobicContact CD2-CD 4Å; Y54-K59 VanDerWaalsContact CE1-NZ 3.31Å; Y54-K59 HydrophobicContact CE2-CD 3.52Å; Y54-K59 VanDerWaalsContact CZ-NZ 3.34Å; Y54-K59 PolarHBondContact O-NZ 3.02Å; K59-G83 CarbonylContact C-O 3.51Å; K59-G83 WeakPolarHBondContact O-CA 3.04Å
60K98.3Very high97Very high134 Ų13450 Ų5058%0.58324%0.236SC*.  trans-125.667.1177.5-63.4178.8-175.5171.80109.5I39I39-K60 PolarHBondContact N-O 2.93Å
61I98.7Very high97.1Very high2 Ų250.3 Ų50.31%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-111.5121.9-176.5-55.9153.9000108.6I39 A50 L53 F58 G83 L84 R85I39-I61 HydrophobicContact CB-CG1 4.42Å; I39-I61 WeakPolarHBondContact O-CA 3.36Å; A50-I61 HydrophobicContact CB-CG2 4.4Å; L53-I61 HydrophobicContact CB-CD1 3.69Å; L53-I61 HydrophobicContact CB-CG1 4.49Å; F58-I61 HydrophobicContact CB-CD1 3.78Å; F58-I61 HydrophobicContact CB-CG1 3.98Å; I61-G83 PolarHBondContact N-O 3.11Å; I61-L84 HydrophobicContact CB-CD2 3.61Å; I61-L84 HydrophobicContact CD1-CD2 3.4Å; I61-L84 HydrophobicContact CG1-CD2 4.11Å; I61-L84 HydrophobicContact CG2-CD2 3.94Å; I61-R85 PolarHBondContact O-N 3.29Å
62T98.7Very high97.1Very high16 Ų1656.3 Ų56.310%0.09826%0.259CS..EExtended strand (participates in β ladder)trans-109.4125.7168.2-62.20000108.3I39 L40 E41 I64 R85 V87 F97 F102I39-T62 PolarHBondContact O-N 3.04Å; L40-T62 CarbonylContact C-O 3.14Å; L40-T62 VanDerWaalsContact CA-O 3.26Å; L40-T62 WeakPolarHBondContact CA-O 3.39Å; L40-T62 HydrophobicContact CD1-CG2 4.13Å; E41-T62 PolarHBondContact N-O 2.93Å; T62-I64 HydrophobicContact CG2-CG2 4.37Å; T62-R85 CarbonylContact C-O 3.59Å; T62-R85 WeakPolarHBondContact CA-O 3.28Å; T62-V87 HydrophobicContact CG2-CG2 4.24Å; T62-F97 HydrophobicContact CG2-CE1 4.05Å; T62-F97 HydrophobicContact CG2-CZ 3.79Å; T62-F102 HydrophobicContact CG2-CZ 4.5Å
63S98.7Very high97.2Very high1 Ų156.2 Ų56.21%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-115.5133.1177.2-60.60000109.6E41 R85 F86 V87E41-S63 CarbonylContact O-C 3.53Å; E41-S63 WeakPolarHBondContact O-CA 3.38Å; E41-S63 VanDerWaalsContact OE2-CB 3.29Å; E41-S63 WeakPolarHBondContact OE2-CB 3.22Å; E41-S63 PolarHBondContact OE2-OG 2.9Å; S63-R85 PolarHBondContact N-O 2.68Å; S63-F86 VanDerWaalsContact O-CA 3.32Å; S63-F86 WeakPolarHBondContact O-CA 3.47Å; S63-V87 PolarHBondContact O-N 2.88Å
64I98.7Very high97.2Very high0 Ų056.2 Ų56.20%026%0.261CS..EExtended strand (participates in β ladder)trans-119.4147.5-179.766.1168.3000113L40 E41 V42 G43 C44 T62 V87 A89 M94 F97L40-I64 HydrophobicContact CD1-CD1 4.48Å; L40-I64 HydrophobicContact CD1-CG1 4.28Å; L40-I64 HydrophobicContact CD1-CG2 3.95Å; E41-I64 PolarHBondContact O-N 3.06Å; V42-I64 HydrophobicContact CB-CD1 4.44Å; V42-I64 HydrophobicContact CB-CG1 4.3Å; V42-I64 HydrophobicContact CG1-CD1 4.02Å; V42-I64 HydrophobicContact CG1-CG1 4.16Å; G43-I64 WeakPolarHBondContact CA-O 3.36Å; G43-I64 PolarHBondContact N-O 2.93Å; C44-I64 PolarHBondContact N-O 3.29Å; T62-I64 HydrophobicContact CG2-CG2 4.37Å; I64-V87 WeakPolarHBondContact CA-O 3.36Å; I64-V87 HydrophobicContact CG2-CB 4.19Å; I64-A89 HydrophobicContact CB-CB 4.08Å; I64-A89 HydrophobicContact CD1-CB 4.22Å; I64-A89 HydrophobicContact CG2-CB 4.08Å; I64-M94 HydrophobicContact CD1-CG 4.29Å; I64-M94 HydrophobicContact CD1-SD 3.59Å; I64-M94 VanDerWaalsContact CD1-SD 3.59Å; I64-F97 HydrophobicContact CG2-CE2 3.82Å; I64-F97 HydrophobicContact CG2-CZ 3.77Å
65D98.2Very high97.2Very high12 Ų1258.7 Ų58.76%0.06427%0.274CS..EExtended strand (participates in β ladder)trans-150.7146.2168.3-160.6-69.8000109.2G45 V67 I70 V71 V87 C88 A89G45-D65 VanDerWaalsContact CA-OD2 3.31Å; G45-D65 WeakPolarHBondContact CA-OD2 3.29Å; G45-D65 PolarHBondContact N-OD2 2.84Å; D65-V67 VanDerWaalsContact C-N 3.27Å; D65-V67 VanDerWaalsContact OD1-CB 3.31Å; D65-V67 WeakPolarHBondContact OD1-CB 3.31Å; D65-V67 WeakPolarHBondContact OD1-CG2 3.41Å; D65-V67 PolarHBondContact OD1-N 2.78Å; D65-I70 HydrophobicContact CB-CG2 4.15Å; D65-V71 HydrophobicContact CB-CG2 4.05Å; D65-V71 WeakPolarHBondContact O-CG2 3.4Å; D65-V87 PolarHBondContact N-O 2.97Å; D65-C88 VanDerWaalsContact O-CA 3.31Å; D65-C88 WeakPolarHBondContact O-CA 3.36Å; D65-A89 CarbonylContact C-O 3.6Å; D65-A89 PolarHBondContact O-N 2.98Å
66Y97.4Very high97.4Very high153 Ų15358 Ų5860%0.627%0.269SS*.SBendtrans-77.5-18.9179.876.3-84.6000111.7K68 A89Y66-K68 PolarHBondContact O-N 2.95Å; Y66-A89 WeakPolarHBondContact CA-O 3.37Å; Y66-A89 PolarHBondContact N-O 3.36Å; Y66-A89 VanDerWaalsContact N-O 3.1Å
67V95.9Very high97.5Very high30 Ų3061.3 Ų61.318%0.18228%0.278CS..  trans-86.3104-177.4-174.60000110.4D65 W69 I70 V71D65-V67 VanDerWaalsContact C-N 3.27Å; D65-V67 VanDerWaalsContact OD1-CB 3.31Å; D65-V67 WeakPolarHBondContact OD1-CB 3.31Å; D65-V67 WeakPolarHBondContact OD1-CG2 3.41Å; D65-V67 PolarHBondContact OD1-N 2.78Å; V67-W69 VanDerWaalsContact C-N 3.26Å; V67-W69 HydrophobicContact CG1-CG 4.04Å; V67-W69 VanDerWaalsContact CG1-NE1 3.32Å; V67-W69 PolarHBondContact O-N 3.26Å; V67-W69 VanDerWaalsContact O-N 3.09Å; V67-I70 HydrophobicContact CB-CB 4.14Å; V67-I70 HydrophobicContact CB-CD1 3.8Å; V67-I70 HydrophobicContact CB-CG1 3.9Å; V67-I70 HydrophobicContact CG1-CB 4.35Å; V67-I70 HydrophobicContact CG1-CD1 4.04Å; V67-I70 HydrophobicContact CG1-CG1 3.81Å; V67-I70 HydrophobicContact CG2-CD1 4.18Å; V67-I70 WeakPolarHBondContact O-CB 3.39Å; V67-I70 PolarHBondContact O-N 3.35Å; V67-V71 PolarHBondContact O-N 3.08Å
68K97Very high97.6Very high126 Ų12660.2 Ų60.255%0.54827%0.265SS..Hα-helixtrans-51.5-37.3-176.9-171.2175.2-172.6175.10115Y66 R72Y66-K68 PolarHBondContact O-N 2.95Å; K68-R72 WeakPolarHBondContact O-CG 3.21Å; K68-R72 PolarHBondContact O-N 3.49Å; K68-R72 VanDerWaalsContact O-N 3.1Å
69W96.1Very high97.5Very high144 Ų14468.9 Ų68.955%0.54530%0.298SS..Hα-helixtrans-71.6-35.5-179.484.7-102.4000111.9I46 V67 R72 K73I46-W69 HydrophobicContact CG2-CH2 3.78Å; I46-W69 HydrophobicContact CG2-CZ2 4.5Å; I46-W69 HydrophobicContact CG2-CZ3 4.22Å; V67-W69 VanDerWaalsContact C-N 3.26Å; V67-W69 HydrophobicContact CG1-CG 4.04Å; V67-W69 VanDerWaalsContact CG1-NE1 3.32Å; V67-W69 PolarHBondContact O-N 3.26Å; V67-W69 VanDerWaalsContact O-N 3.09Å; W69-R72 PolarHBondContact O-N 2.59Å; W69-K73 HydrophobicContact CE3-CB 4.35Å; W69-K73 HydrophobicContact CE3-CD 4.41Å; W69-K73 HydrophobicContact CH2-CD 4.44Å; W69-K73 HydrophobicContact CZ3-CB 4.32Å; W69-K73 HydrophobicContact CZ3-CD 3.61Å; W69-K73 WeakPolarHBondContact O-CB 3.44Å; W69-K73 PolarHBondContact O-N 3.27Å
70I95.3Very high97.5Very high21 Ų2174.1 Ų74.111%0.10832%0.315CS..Hα-helixtrans-60.3-49.7174.5-69.6-174.7000109.4G45 I46 D65 V67 R72 K73 Q74G45-I70 WeakPolarHBondContact O-CG2 3.45Å; I46-I70 HydrophobicContact CG2-CD1 4.47Å; I46-I70 HydrophobicContact CG2-CG1 4.09Å; I46-I70 HydrophobicContact CG2-CG2 4.2Å; D65-I70 HydrophobicContact CB-CG2 4.15Å; V67-I70 HydrophobicContact CB-CB 4.14Å; V67-I70 HydrophobicContact CB-CD1 3.8Å; V67-I70 HydrophobicContact CB-CG1 3.9Å; V67-I70 HydrophobicContact CG1-CB 4.35Å; V67-I70 HydrophobicContact CG1-CD1 4.04Å; V67-I70 HydrophobicContact CG1-CG1 3.81Å; V67-I70 HydrophobicContact CG2-CD1 4.18Å; V67-I70 WeakPolarHBondContact O-CB 3.39Å; V67-I70 PolarHBondContact O-N 3.35Å; I70-R72 VanDerWaalsContact C-N 3.34Å; I70-R72 PolarHBondContact O-N 2.75Å; I70-K73 WeakPolarHBondContact O-CB 3.22Å; I70-K73 PolarHBondContact O-N 2.71Å; I70-K73 VanDerWaalsContact O-N 3.14Å; I70-Q74 HydrophobicContact CG2-CG 4.42Å; I70-Q74 WeakPolarHBondContact O-CG 3.33Å; I70-Q74 PolarHBondContact O-N 2.89Å
71V98Very high97.5Very high6 Ų670.9 Ų70.94%0.03630%0.299CS..Hα-helixtrans-57.9-46.3178.2177.20000111.3D65 V67 K73 Q74 Q75 F86 C88D65-V71 HydrophobicContact CB-CG2 4.05Å; D65-V71 WeakPolarHBondContact O-CG2 3.4Å; V67-V71 PolarHBondContact O-N 3.08Å; V71-K73 PolarHBondContact O-N 2.6Å; V71-Q74 PolarHBondContact O-N 3.17Å; V71-Q75 HydrophobicContact CG1-CG 4.35Å; V71-Q75 WeakPolarHBondContact O-CB 3.37Å; V71-Q75 VanDerWaalsContact O-CG 3.27Å; V71-Q75 WeakPolarHBondContact O-CG 3.47Å; V71-Q75 PolarHBondContact O-N 3.39Å; V71-F86 HydrophobicContact CG1-CB 4.26Å; V71-C88 HydrophobicContact CG1-CB 4.44Å; V71-C88 HydrophobicContact CG2-CB 4.1Å
72R97.9Very high97.3Very high152 Ų15276.6 Ų76.657%0.57434%0.337SS*.Hα-helixtrans-61.5-41.6176.9-74.8173.2170.2-179.4-7.4112.4K68 W69 I70 Q75 S76K68-R72 WeakPolarHBondContact O-CG 3.21Å; K68-R72 PolarHBondContact O-N 3.49Å; K68-R72 VanDerWaalsContact O-N 3.1Å; W69-R72 PolarHBondContact O-N 2.59Å; I70-R72 VanDerWaalsContact C-N 3.34Å; I70-R72 PolarHBondContact O-N 2.75Å; R72-Q75 PolarHBondContact O-N 2.63Å; R72-S76 WeakPolarHBondContact O-CB 3.4Å; R72-S76 PolarHBondContact O-N 2.82Å
73K96.3Very high97.3Very high100 Ų10076.4 Ų76.444%0.43534%0.338SS..Hα-helixtrans-60.8-46.4175.5177.6169.8175.81230110.7I46 W69 I70 V71 S76 R77I46-K73 HydrophobicContact CG2-CD 4.17Å; W69-K73 HydrophobicContact CE3-CB 4.35Å; W69-K73 HydrophobicContact CE3-CD 4.41Å; W69-K73 HydrophobicContact CH2-CD 4.44Å; W69-K73 HydrophobicContact CZ3-CB 4.32Å; W69-K73 HydrophobicContact CZ3-CD 3.61Å; W69-K73 WeakPolarHBondContact O-CB 3.44Å; W69-K73 PolarHBondContact O-N 3.27Å; I70-K73 WeakPolarHBondContact O-CB 3.22Å; I70-K73 PolarHBondContact O-N 2.71Å; I70-K73 VanDerWaalsContact O-N 3.14Å; V71-K73 PolarHBondContact O-N 2.6Å; K73-S76 PolarHBondContact O-N 2.87Å; K73-R77 WeakPolarHBondContact O-CB 3.42Å; K73-R77 PolarHBondContact O-N 2.8Å
74Q97.9Very high97.3Very high1 Ų177.2 Ų77.21%0.00534%0.342CS..Hα-helixtrans-62.9-46.2178.1-72-73.611.800112.7G45 I46 S47 I70 V71 S76 R77 N78 F86G45-Q74 PolarHBondContact O-NE2 2.75Å; I46-Q74 VanDerWaalsContact C-NE2 3.3Å; S47-Q74 PolarHBondContact O-NE2 3.43Å; I70-Q74 HydrophobicContact CG2-CG 4.42Å; I70-Q74 WeakPolarHBondContact O-CG 3.33Å; I70-Q74 PolarHBondContact O-N 2.89Å; V71-Q74 PolarHBondContact O-N 3.17Å; Q74-S76 VanDerWaalsContact C-N 3.34Å; Q74-S76 PolarHBondContact O-N 2.92Å; Q74-R77 VanDerWaalsContact NE2-NH2 3.13Å; Q74-R77 PolarHBondContact O-N 3.37Å; Q74-N78 VanDerWaalsContact O-CB 3.26Å; Q74-N78 WeakPolarHBondContact O-CB 3.47Å; Q74-N78 PolarHBondContact O-N 3.34Å; Q74-N78 PolarHBondContact O-ND2 2.91Å; Q74-N78 PolarHBondContact OE1-ND2 3.12Å; Q74-F86 HydrophobicContact CB-CB 4.31Å; Q74-F86 HydrophobicContact CB-CD1 3.36Å; Q74-F86 HydrophobicContact CB-CD2 4.12Å; Q74-F86 HydrophobicContact CB-CE1 3.56Å; Q74-F86 HydrophobicContact CB-CE2 4.29Å; Q74-F86 HydrophobicContact CB-CG 3.66Å; Q74-F86 HydrophobicContact CB-CZ 4.03Å; Q74-F86 HydrophobicContact CG-CD1 3.85Å; Q74-F86 HydrophobicContact CG-CE1 3.79Å
75Q98.3Very high97.2Very high95 Ų9583.7 Ų83.744%0.44437%0.366SS..Hα-helixtrans-57.4-46.1175.7-72.2172.6-16.500111.7V71 R72 N78 R79 F86V71-Q75 HydrophobicContact CG1-CG 4.35Å; V71-Q75 WeakPolarHBondContact O-CB 3.37Å; V71-Q75 VanDerWaalsContact O-CG 3.27Å; V71-Q75 WeakPolarHBondContact O-CG 3.47Å; V71-Q75 PolarHBondContact O-N 3.39Å; R72-Q75 PolarHBondContact O-N 2.63Å; Q75-N78 PolarHBondContact O-N 3.09Å; Q75-R79 PolarHBondContact O-N 3.31Å; Q75-R79 VanDerWaalsContact O-N 3.16Å; Q75-F86 HydrophobicContact CG-CB 3.74Å; Q75-F86 PolarHBondContact NE2-O 3.3Å
76S97.7Very high97.3Very high75 Ų7583.7 Ų83.752%0.52437%0.366SS..Hα-helixtrans-63.6-44178.3-177.80000112.4R72 K73 Q74 N78 R79R72-S76 WeakPolarHBondContact O-CB 3.4Å; R72-S76 PolarHBondContact O-N 2.82Å; K73-S76 PolarHBondContact O-N 2.87Å; Q74-S76 VanDerWaalsContact C-N 3.34Å; Q74-S76 PolarHBondContact O-N 2.92Å; S76-N78 VanDerWaalsContact C-N 3.32Å; S76-N78 PolarHBondContact O-N 3.2Å; S76-R79 PolarHBondContact O-NH1 2.81Å
77R97.2Very high97.3Very high92 Ų9277.7 Ų77.735%0.34735%0.345SS..Hα-helixtrans-64.3-35.3178.1-170170.873.3-174.3-0.1112.1I46 S47 E51 K73 Q74I46-R77 PolarHBondContact O-NH1 2.76Å; I46-R77 PolarHBondContact O-NH2 3.18Å; S47-R77 VanDerWaalsContact C-NH2 3.28Å; S47-R77 PolarHBondContact O-NH2 2.84Å; E51-R77 WeakPolarHBondContact OE1-CD 3.37Å; E51-R77 IonicContact OE1-CZ 3.69Å; E51-R77 VanDerWaalsContact OE1-CZ 3.27Å; E51-R77 IonicContact OE1-NE 3.69Å; E51-R77 PolarHBondContact OE1-NE 2.84Å; E51-R77 IonicContact OE1-NH2 3.2Å; E51-R77 PolarHBondContact OE1-NH2 2.79Å; K73-R77 WeakPolarHBondContact O-CB 3.42Å; K73-R77 PolarHBondContact O-N 2.8Å; Q74-R77 VanDerWaalsContact NE2-NH2 3.13Å; Q74-R77 PolarHBondContact O-N 3.37Å
78N97.7Very high97.4Very high6 Ų679.3 Ų79.33%0.03236%0.357CS..Hα-helixtrans-104.510.2-170.6-73-70.9000115.8E51 Q74 Q75 S76 R80 R81 L84 F86E51-N78 VanDerWaalsContact CG-OD1 3.29Å; E51-N78 WeakPolarHBondContact CG-OD1 3.33Å; E51-N78 PolarHBondContact OE1-ND2 2.92Å; E51-N78 PolarHBondContact OE1-OD1 3.2Å; Q74-N78 VanDerWaalsContact O-CB 3.26Å; Q74-N78 WeakPolarHBondContact O-CB 3.47Å; Q74-N78 PolarHBondContact O-N 3.34Å; Q74-N78 PolarHBondContact O-ND2 2.91Å; Q74-N78 PolarHBondContact OE1-ND2 3.12Å; Q75-N78 PolarHBondContact O-N 3.09Å; S76-N78 VanDerWaalsContact C-N 3.32Å; S76-N78 PolarHBondContact O-N 3.2Å; N78-R80 PolarHBondContact O-N 3.05Å; N78-R81 PolarHBondContact O-N 2.58Å; N78-R81 WeakPolarHBondContact OD1-CD 3.49Å; N78-R81 PolarHBondContact OD1-NH1 2.62Å; N78-L84 HydrophobicContact CB-CD1 4.2Å; N78-L84 WeakPolarHBondContact OD1-CD1 3.48Å; N78-F86 HydrophobicContact CB-CD2 4.27Å; N78-F86 HydrophobicContact CB-CE2 3.5Å; N78-F86 VanDerWaalsContact CB-CE2 3.5Å; N78-F86 HydrophobicContact CB-CZ 4.29Å; N78-F86 WeakPolarHBondContact ND2-CE2 3.31Å; N78-F86 WeakPolarHBondContact ND2-CZ 3.42Å
79R96.9Very high97.5Very high182 Ų18273.9 Ų73.969%0.68734%0.335SS*.THydrogen-bonded Turntrans-53.1-22.7-175.572.3177.9-179.2-95.56116.6Q75 S76Q75-R79 PolarHBondContact O-N 3.31Å; Q75-R79 VanDerWaalsContact O-N 3.16Å; S76-R79 PolarHBondContact O-NH1 2.81Å
80R97.1Very high97.6Very high208 Ų20869.1 Ų69.179%0.78532%0.321SS*.THydrogen-bonded Turntrans-93.85.8-179.8-66-175.4176.1162.3-2.3113.6N78 P82N78-R80 PolarHBondContact O-N 3.05Å; R80-P82 WeakPolarHBondContact O-CD 3.26Å
81R97.3Very high97.7Very high66 Ų6668.6 Ų68.625%0.24932%0.318CS..  trans-11783.2-177-60.9-179.3-178.4112.6-11.5109.2E51 Y54 N78 G83 L84E51-R81 IonicContact OE1-NH1 3.55Å; E51-R81 IonicContact OE2-CZ 3.14Å; E51-R81 IonicContact OE2-NH1 2.94Å; E51-R81 PolarHBondContact OE2-NH1 2.84Å; E51-R81 IonicContact OE2-NH2 2.78Å; E51-R81 PolarHBondContact OE2-NH2 2.68Å; Y54-R81 HydrophobicContact CD1-CB 4.38Å; Y54-R81 HydrophobicContact CD1-CG 4.15Å; Y54-R81 HydrophobicContact CD2-CB 4.35Å; Y54-R81 HydrophobicContact CE1-CB 4.14Å; Y54-R81 HydrophobicContact CE1-CG 4Å; Y54-R81 HydrophobicContact CE2-CB 4.11Å; Y54-R81 HydrophobicContact CG-CB 4.46Å; N78-R81 PolarHBondContact O-N 2.58Å; N78-R81 WeakPolarHBondContact OD1-CD 3.49Å; N78-R81 PolarHBondContact OD1-NH1 2.62Å; R81-G83 PolarHBondContact O-N 2.94Å; R81-L84 HydrophobicContact CB-CB 4.23Å; R81-L84 HydrophobicContact CB-CD1 3.88Å; R81-L84 HydrophobicContact CB-CG 3.91Å; R81-L84 HydrophobicContact CG-CD1 4.37Å; R81-L84 WeakPolarHBondContact O-CB 3.29Å; R81-L84 PolarHBondContact O-N 3.21Å
82P96Very high97.7Very high123 Ų12373.3 Ų73.380%0.79934%0.336SS*.THydrogen-bonded Turntrans-62.8-17.9-172.324.8-35.5000114.7R80 L84R80-P82 WeakPolarHBondContact O-CD 3.26Å; P82-L84 VanDerWaalsContact C-N 3.29Å
83G97.4Very high97.8Very high12 Ų1272.1 Ų72.112%0.12433%0.334CS..THydrogen-bonded Turntrans-84.94173.500000115K59 I61 R81K59-G83 CarbonylContact C-O 3.51Å; K59-G83 WeakPolarHBondContact O-CA 3.04Å; I61-G83 PolarHBondContact N-O 3.11Å; R81-G83 PolarHBondContact O-N 2.94Å
84L98.1Very high97.9Very high17 Ų1767.3 Ų67.39%0.08931%0.314CS..EExtended strand (participates in β ladder)trans-110.1120.2174.2-64.1-170.9000110.4A50 E51 Y54 I61 N78 R81 P82 F86A50-L84 HydrophobicContact CB-CD1 4.36Å; A50-L84 HydrophobicContact CB-CD2 4.17Å; E51-L84 HydrophobicContact CG-CD1 4.46Å; Y54-L84 HydrophobicContact CD2-CD2 4.01Å; Y54-L84 HydrophobicContact CD2-CG 3.85Å; Y54-L84 HydrophobicContact CG-CD1 4.45Å; Y54-L84 HydrophobicContact CG-CD2 4.34Å; Y54-L84 HydrophobicContact CG-CG 4.17Å; I61-L84 HydrophobicContact CB-CD2 3.61Å; I61-L84 HydrophobicContact CD1-CD2 3.4Å; I61-L84 HydrophobicContact CG1-CD2 4.11Å; I61-L84 HydrophobicContact CG2-CD2 3.94Å; N78-L84 HydrophobicContact CB-CD1 4.2Å; N78-L84 WeakPolarHBondContact OD1-CD1 3.48Å; R81-L84 HydrophobicContact CB-CB 4.23Å; R81-L84 HydrophobicContact CB-CD1 3.88Å; R81-L84 HydrophobicContact CB-CG 3.91Å; R81-L84 HydrophobicContact CG-CD1 4.37Å; R81-L84 WeakPolarHBondContact O-CB 3.29Å; R81-L84 PolarHBondContact O-N 3.21Å; P82-L84 VanDerWaalsContact C-N 3.29Å; L84-F86 HydrophobicContact CB-CE2 3.91Å; L84-F86 HydrophobicContact CD1-CE2 4.32Å; L84-F86 HydrophobicContact CD1-CZ 4.47Å
85R98.3Very high97.8Very high137 Ų13772.6 Ų72.652%0.51734%0.342SS..EExtended strand (participates in β ladder)trans-114.3132173.5-173.4-176177.4-162.6-1.7109.3I61 T62 S63 V87I61-R85 PolarHBondContact O-N 3.29Å; T62-R85 CarbonylContact C-O 3.59Å; T62-R85 WeakPolarHBondContact CA-O 3.28Å; S63-R85 PolarHBondContact N-O 2.68Å; R85-V87 HydrophobicContact CG-CG2 3.93Å
86F98.5Very high97.8Very high12 Ų1272 Ų725%0.05334%0.339CS..EExtended strand (participates in β ladder)trans-117.5124.5175-67.1-89000109.9A50 S63 V71 Q74 Q75 N78 L84A50-F86 HydrophobicContact CB-CE1 4.33Å; A50-F86 HydrophobicContact CB-CZ 3.98Å; S63-F86 VanDerWaalsContact O-CA 3.32Å; S63-F86 WeakPolarHBondContact O-CA 3.47Å; V71-F86 HydrophobicContact CG1-CB 4.26Å; Q74-F86 HydrophobicContact CB-CB 4.31Å; Q74-F86 HydrophobicContact CB-CD1 3.36Å; Q74-F86 HydrophobicContact CB-CD2 4.12Å; Q74-F86 HydrophobicContact CB-CE1 3.56Å; Q74-F86 HydrophobicContact CB-CE2 4.29Å; Q74-F86 HydrophobicContact CB-CG 3.66Å; Q74-F86 HydrophobicContact CB-CZ 4.03Å; Q74-F86 HydrophobicContact CG-CD1 3.85Å; Q74-F86 HydrophobicContact CG-CE1 3.79Å; Q75-F86 HydrophobicContact CG-CB 3.74Å; Q75-F86 PolarHBondContact NE2-O 3.3Å; N78-F86 HydrophobicContact CB-CD2 4.27Å; N78-F86 HydrophobicContact CB-CE2 3.5Å; N78-F86 VanDerWaalsContact CB-CE2 3.5Å; N78-F86 HydrophobicContact CB-CZ 4.29Å; N78-F86 WeakPolarHBondContact ND2-CE2 3.31Å; N78-F86 WeakPolarHBondContact ND2-CZ 3.42Å; L84-F86 HydrophobicContact CB-CE2 3.91Å; L84-F86 HydrophobicContact CD1-CE2 4.32Å; L84-F86 HydrophobicContact CD1-CZ 4.47Å
87V98.3Very high97.8Very high26 Ų2668.7 Ų68.716%0.15832%0.315CS..EExtended strand (participates in β ladder)trans-126.6137.8-175.1-175.40000109.9T62 S63 I64 D65 R85 A89T62-V87 HydrophobicContact CG2-CG2 4.24Å; S63-V87 PolarHBondContact O-N 2.88Å; I64-V87 WeakPolarHBondContact CA-O 3.36Å; I64-V87 HydrophobicContact CG2-CB 4.19Å; D65-V87 PolarHBondContact N-O 2.97Å; R85-V87 HydrophobicContact CG-CG2 3.93Å; V87-A89 PolarHBondContact O-N 3.42Å
88C98.3Very high97.9Very high65 Ų6568.6 Ų68.644%0.43933%0.325SS..EExtended strand (participates in β ladder)trans-78.5111.8172.4-165.20000108.9D65 V71D65-C88 VanDerWaalsContact O-CA 3.31Å; D65-C88 WeakPolarHBondContact O-CA 3.36Å; V71-C88 HydrophobicContact CG1-CB 4.44Å; V71-C88 HydrophobicContact CG2-CB 4.1Å
89A98.3Very high97.9Very high11 Ų1173.1 Ų73.19%0.09135%0.349CS..  trans-157.9153.6-178.300000111.6I64 D65 Y66 V87I64-A89 HydrophobicContact CB-CB 4.08Å; I64-A89 HydrophobicContact CD1-CB 4.22Å; I64-A89 HydrophobicContact CG2-CB 4.08Å; D65-A89 CarbonylContact C-O 3.6Å; D65-A89 PolarHBondContact O-N 2.98Å; Y66-A89 WeakPolarHBondContact CA-O 3.37Å; Y66-A89 PolarHBondContact N-O 3.36Å; Y66-A89 VanDerWaalsContact N-O 3.1Å; V87-A89 PolarHBondContact O-N 3.42Å
90D98.2Very high98Very high45 Ų4568.6 Ų68.624%0.24134%0.339CS..BIsolated β-bridgetrans-98.7128175.6-166.8-35.4000109.3R92 K93 M94D90-R92 PolarHBondContact O-N 3.27Å; D90-R92 VanDerWaalsContact O-N 3.13Å; D90-R92 WeakPolarHBondContact OD1-CB 3.31Å; D90-R92 WeakPolarHBondContact OD1-CG 3.32Å; D90-R92 IonicContact OD1-CZ 3.31Å; D90-R92 PolarHBondContact OD1-N 3.27Å; D90-R92 IonicContact OD1-NE 3.88Å; D90-R92 PolarHBondContact OD1-NE 2.73Å; D90-R92 IonicContact OD1-NH2 2.64Å; D90-R92 IonicContact OD2-CZ 2.72Å; D90-R92 VanDerWaalsContact OD2-CZ 3.31Å; D90-R92 IonicContact OD2-NE 2.8Å; D90-R92 PolarHBondContact OD2-NE 3.45Å; D90-R92 IonicContact OD2-NH2 3.31Å; D90-R92 PolarHBondContact OD2-NH2 3Å; D90-K93 CarbonylContact O-C 3.09Å; D90-K93 PolarHBondContact O-N 2.88Å; D90-M94 WeakPolarHBondContact O-CG 3.39Å
91V98.6Very high98Very high10 Ų1061.7 Ų61.76%0.06132%0.315CS..THydrogen-bonded Turntrans-62.3-22-179.966.10000112.6V42 K93 T110 L114 A129 E132 I133V42-V91 HydrophobicContact CB-CB 4.35Å; V42-V91 HydrophobicContact CB-CG2 3.86Å; V42-V91 HydrophobicContact CG1-CG2 3.82Å; V42-V91 HydrophobicContact CG2-CG2 4.21Å; V91-K93 PolarHBondContact O-N 3.21Å; V91-T110 HydrophobicContact CG1-CG2 4.11Å; V91-L114 HydrophobicContact CG1-CD1 3.85Å; V91-A129 HydrophobicContact CG1-CB 3.96Å; V91-A129 HydrophobicContact CG2-CB 4.08Å; V91-E132 WeakPolarHBondContact O-CB 3.38Å; V91-I133 HydrophobicContact CG2-CD1 4.07Å; V91-I133 HydrophobicContact CG2-CG1 4.15Å
92R98.3Very high98.1Very high105 Ų10558.8 Ų58.840%0.39630%0.304SS..THydrogen-bonded Turntrans-76.8-11.1177-57.5170-69.2-1720.8113.2D90 L114 A128 A129D90-R92 PolarHBondContact O-N 3.27Å; D90-R92 VanDerWaalsContact O-N 3.13Å; D90-R92 WeakPolarHBondContact OD1-CB 3.31Å; D90-R92 WeakPolarHBondContact OD1-CG 3.32Å; D90-R92 IonicContact OD1-CZ 3.31Å; D90-R92 PolarHBondContact OD1-N 3.27Å; D90-R92 IonicContact OD1-NE 3.88Å; D90-R92 PolarHBondContact OD1-NE 2.73Å; D90-R92 IonicContact OD1-NH2 2.64Å; D90-R92 IonicContact OD2-CZ 2.72Å; D90-R92 VanDerWaalsContact OD2-CZ 3.31Å; D90-R92 IonicContact OD2-NE 2.8Å; D90-R92 PolarHBondContact OD2-NE 3.45Å; D90-R92 IonicContact OD2-NH2 3.31Å; D90-R92 PolarHBondContact OD2-NH2 3Å; R92-L114 HydrophobicContact CG-CD2 4.47Å; R92-A128 HydrophobicContact CB-CB 4.05Å; R92-A128 HydrophobicContact CG-CB 4.38Å; R92-A129 HydrophobicContact CG-CB 4.42Å
93K98.2Very high98.2Very high126 Ų12655.7 Ų55.755%0.54828%0.281SS..BIsolated β-bridgetrans-160.9100.8-179.5-174.9171.9173.71750111.2D90 V91 D95D90-K93 CarbonylContact O-C 3.09Å; D90-K93 PolarHBondContact O-N 2.88Å; V91-K93 PolarHBondContact O-N 3.21Å; K93-D95 WeakPolarHBondContact CE-OD1 3.47Å; K93-D95 WeakPolarHBondContact CE-OD2 3.37Å; K93-D95 WeakPolarHBondContact CG-OD1 3.37Å; K93-D95 IonicContact NZ-OD2 2.87Å; K93-D95 PolarHBondContact NZ-OD2 3Å
94M98.3Very high98.3Very high0 Ų055.1 Ų55.10%028%0.275CS..  trans-114.948.7-172.6-58-166.1-8000112.7L40 I64 D90 Q96 F97 E132 I133 R135 V136L40-M94 HydrophobicContact CD2-CE 4.26Å; L40-M94 HydrophobicContact CD2-SD 3.9Å; I64-M94 HydrophobicContact CD1-CG 4.29Å; I64-M94 HydrophobicContact CD1-SD 3.59Å; I64-M94 VanDerWaalsContact CD1-SD 3.59Å; D90-M94 WeakPolarHBondContact O-CG 3.39Å; M94-Q96 PolarHBondContact O-N 2.8Å; M94-F97 HydrophobicContact CB-CD2 3.86Å; M94-F97 HydrophobicContact CG-CD2 4.43Å; M94-F97 PolarHBondContact O-N 2.7Å; M94-F97 HydrophobicContact SD-CD2 4.09Å; M94-F97 HydrophobicContact SD-CE2 4.3Å; M94-E132 VanDerWaalsContact CA-OE2 3.31Å; M94-E132 WeakPolarHBondContact CA-OE2 3.36Å; M94-E132 WeakPolarHBondContact CB-OE2 3.16Å; M94-E132 HydrophobicContact CE-CB 3.55Å; M94-E132 WeakPolarHBondContact CE-O 3.47Å; M94-E132 HydrophobicContact CG-CB 4.43Å; M94-E132 PolarHBondContact N-OE2 2.93Å; M94-I133 HydrophobicContact CE-CG1 4.41Å; M94-R135 PolarHBondContact O-NH2 3.36Å; M94-V136 HydrophobicContact CE-CG1 4.02Å; M94-V136 HydrophobicContact CE-CG2 3.73Å
95D97.5Very high98.3Very high112 Ų11254.3 Ų54.360%0.59927%0.271SS*.THydrogen-bonded Turntrans-53.9-24.9-177.5-65.3-5.6000114.4K93 F97K93-D95 WeakPolarHBondContact CE-OD1 3.47Å; K93-D95 WeakPolarHBondContact CE-OD2 3.37Å; K93-D95 WeakPolarHBondContact CG-OD1 3.37Å; K93-D95 IonicContact NZ-OD2 2.87Å; K93-D95 PolarHBondContact NZ-OD2 3Å; D95-F97 PolarHBondContact O-N 3.39Å
96Q97.6Very high98.3Very high83 Ų8347.8 Ų47.839%0.38825%0.246SC..THydrogen-bonded Turntrans-76.3-6.8178.973.6-75-10.900114.2M94M94-Q96 PolarHBondContact O-N 2.8Å
97F98.5Very high98.2Very high4 Ų447.2 Ų47.22%0.01824%0.244CC..SBendtrans-114140.3176.4-55.5-49.4000110.6L40 T62 I64 M94 D95 E101 F102 R135 V136L40-F97 HydrophobicContact CD1-CE2 3.96Å; L40-F97 HydrophobicContact CD1-CZ 4.25Å; T62-F97 HydrophobicContact CG2-CE1 4.05Å; T62-F97 HydrophobicContact CG2-CZ 3.79Å; I64-F97 HydrophobicContact CG2-CE2 3.82Å; I64-F97 HydrophobicContact CG2-CZ 3.77Å; M94-F97 HydrophobicContact CB-CD2 3.86Å; M94-F97 HydrophobicContact CG-CD2 4.43Å; M94-F97 PolarHBondContact O-N 2.7Å; M94-F97 HydrophobicContact SD-CD2 4.09Å; M94-F97 HydrophobicContact SD-CE2 4.3Å; D95-F97 PolarHBondContact O-N 3.39Å; F97-E101 WeakPolarHBondContact CA-OE2 3.39Å; F97-F102 HydrophobicContact CB-CE2 4.03Å; F97-F102 AromaticContact CD1-CE2 3.87Å; F97-F102 HydrophobicContact CD1-CE2 3.87Å; F97-F102 AromaticContact CD1-CZ 3.82Å; F97-F102 HydrophobicContact CD1-CZ 3.82Å; F97-F102 AromaticContact CD2-CE2 3.97Å; F97-F102 HydrophobicContact CD2-CE2 3.97Å; F97-F102 HydrophobicContact CD2-CZ 4.44Å; F97-F102 HydrophobicContact CE1-CE2 4.34Å; F97-F102 AromaticContact CE1-CZ 3.93Å; F97-F102 HydrophobicContact CE1-CZ 3.93Å; F97-F102 HydrophobicContact CE2-CE2 4.45Å; F97-F102 AromaticContact CG-CE2 3.7Å; F97-F102 HydrophobicContact CG-CE2 3.7Å; F97-F102 HydrophobicContact CG-CZ 4.13Å; F97-F102 HydrophobicContact CZ-CZ 4.32Å; F97-R135 PolarHBondContact O-NH1 3.1Å; F97-R135 PolarHBondContact O-NH2 3.02Å; F97-V136 HydrophobicContact CB-CG1 3.94Å
98T98.2Very high98Very high91 Ų9146.4 Ų46.456%0.55824%0.239SC*.  trans-80.4166.4177.755.10000111.5E101T98-E101 PolarHBondContact N-OE2 2.86Å; T98-E101 PolarHBondContact OG1-OE2 3.07Å
99N98.4Very high97.7Very high101 Ų10143.4 Ų43.454%0.5422%0.218SC..THydrogen-bonded Turntrans-65.6147.4172.2-59.44.1000109.6E101 R135N99-E101 PolarHBondContact O-N 2.97Å; N99-E101 VanDerWaalsContact O-N 3.12Å; N99-R135 VanDerWaalsContact CA-O 3.23Å; N99-R135 WeakPolarHBondContact CA-O 3.3Å; N99-R135 HydrophobicContact CB-CG 4.44Å; N99-R135 WeakPolarHBondContact OD1-CD 3.5Å; N99-R135 WeakPolarHBondContact OD1-CG 3.39Å; N99-R135 PolarHBondContact OD1-NH1 2.96Å; N99-R135 VanDerWaalsContact OD1-NH1 3.11Å
100D98.2Very high97.5Very high86 Ų8643.3 Ų43.346%0.4622%0.217SC..THydrogen-bonded Turntrans58.121.1177.8-60.4-86.8000115.6R135 V136 A138 T139D100-R135 PolarHBondContact N-O 3.06Å; D100-R135 VanDerWaalsContact N-O 3.08Å; D100-V136 CarbonylContact C-O 3.59Å; D100-A138 HydrophobicContact CB-CB 4.36Å; D100-A138 WeakPolarHBondContact OD1-CA 3.49Å; D100-T139 PolarHBondContact OD1-N 2.72Å; D100-T139 PolarHBondContact OD1-OG1 3.09Å
101E98.5Very high97.4Very high63 Ų6341.3 Ų41.329%0.29421%0.206SC..  trans-72.5-31-174-171.4169.1148.200113.7S38 F97 T98 N99 V136S38-E101 PolarHBondContact OG-O 3.28Å; S38-E101 VanDerWaalsContact OG-O 3.05Å; F97-E101 WeakPolarHBondContact CA-OE2 3.39Å; T98-E101 PolarHBondContact N-OE2 2.86Å; T98-E101 PolarHBondContact OG1-OE2 3.07Å; N99-E101 PolarHBondContact O-N 2.97Å; N99-E101 VanDerWaalsContact O-N 3.12Å; E101-V136 PolarHBondContact N-O 3.47Å
102F98.8Very high97.2Very high5 Ų541.4 Ų41.42%0.02221%0.206CC..EExtended strand (participates in β ladder)trans-114.9130.1-172.5-61.3-78.5000112.6S38 L40 T62 F97 V104 V105 V136 L137 A138S38-F102 WeakPolarHBondContact OG-CA 3.43Å; L40-F102 HydrophobicContact CB-CB 4.2Å; L40-F102 HydrophobicContact CB-CD1 3.67Å; L40-F102 HydrophobicContact CB-CD2 3.89Å; L40-F102 HydrophobicContact CB-CE1 3.96Å; L40-F102 HydrophobicContact CB-CE2 4.16Å; L40-F102 HydrophobicContact CB-CG 3.63Å; L40-F102 HydrophobicContact CB-CZ 4.2Å; L40-F102 HydrophobicContact CD1-CE1 4.47Å; L40-F102 HydrophobicContact CD1-CE2 4.32Å; L40-F102 HydrophobicContact CD1-CZ 4.13Å; L40-F102 HydrophobicContact CD2-CD2 3.94Å; L40-F102 HydrophobicContact CD2-CE2 3.96Å; L40-F102 HydrophobicContact CG-CD2 4.43Å; L40-F102 HydrophobicContact CG-CE2 4.38Å; T62-F102 HydrophobicContact CG2-CZ 4.5Å; F97-F102 HydrophobicContact CB-CE2 4.03Å; F97-F102 AromaticContact CD1-CE2 3.87Å; F97-F102 HydrophobicContact CD1-CE2 3.87Å; F97-F102 AromaticContact CD1-CZ 3.82Å; F97-F102 HydrophobicContact CD1-CZ 3.82Å; F97-F102 AromaticContact CD2-CE2 3.97Å; F97-F102 HydrophobicContact CD2-CE2 3.97Å; F97-F102 HydrophobicContact CD2-CZ 4.44Å; F97-F102 HydrophobicContact CE1-CE2 4.34Å; F97-F102 AromaticContact CE1-CZ 3.93Å; F97-F102 HydrophobicContact CE1-CZ 3.93Å; F97-F102 HydrophobicContact CE2-CE2 4.45Å; F97-F102 AromaticContact CG-CE2 3.7Å; F97-F102 HydrophobicContact CG-CE2 3.7Å; F97-F102 HydrophobicContact CG-CZ 4.13Å; F97-F102 HydrophobicContact CZ-CZ 4.32Å; F102-V104 VanDerWaalsContact C-N 3.32Å; F102-V105 HydrophobicContact CB-CG2 4.41Å; F102-V136 HydrophobicContact CD2-CB 4.05Å; F102-V136 HydrophobicContact CD2-CG2 4.09Å; F102-V136 PolarHBondContact N-O 2.83Å; F102-L137 CarbonylContact O-C 3.54Å; F102-L137 WeakPolarHBondContact O-CA 3.44Å; F102-A138 WeakPolarHBondContact O-CB 3.48Å; F102-A138 PolarHBondContact O-N 3.38Å
103N98.6Very high96.9Very high58 Ų5840.3 Ų40.331%0.3121%0.211SC..EExtended strand (participates in β ladder)trans-73.5-29.1173.7-55.3129.5000112.1D37 S38 G141 R142D37-N103 WeakPolarHBondContact CA-OD1 3.33Å; D37-N103 HydrophobicContact CB-CB 3.87Å; S38-N103 PolarHBondContact N-OD1 2.86Å; S38-N103 PolarHBondContact O-N 2.84Å; S38-N103 PolarHBondContact OG-N 3.11Å; S38-N103 VanDerWaalsContact OG-N 3.15Å; S38-N103 PolarHBondContact OG-OD1 3.42Å; N103-G141 CarbonylContact O-C 3.57Å; N103-G141 WeakPolarHBondContact O-CA 3.44Å; N103-R142 PolarHBondContact O-N 3.14Å
104V98.6Very high96.8Very high0 Ų035.6 Ų35.60%019%0.192CC..EExtended strand (participates in β ladder)trans-138.3131-179.1-175.10000110A33 D37 S38 I39 L40 F102 V106 R142 I144A33-V104 HydrophobicContact CB-CG2 3.8Å; D37-V104 HydrophobicContact CB-CG2 4.45Å; S38-V104 PolarHBondContact O-N 3.33Å; S38-V104 VanDerWaalsContact O-N 3.1Å; I39-V104 CarbonylContact C-O 3.53Å; I39-V104 WeakPolarHBondContact CA-O 3.39Å; I39-V104 HydrophobicContact CG1-CB 4.25Å; L40-V104 PolarHBondContact N-O 3.13Å; F102-V104 VanDerWaalsContact C-N 3.32Å; V104-V106 HydrophobicContact CG1-CG2 3.86Å; V104-R142 CarbonylContact C-O 3.57Å; V104-R142 VanDerWaalsContact CA-O 3.29Å; V104-R142 WeakPolarHBondContact CA-O 3.48Å; V104-I144 HydrophobicContact CG1-CD1 3.92Å; V104-I144 HydrophobicContact CG1-CG1 4.35Å
105V98.6Very high96.6Very high0 Ų035.7 Ų35.70%019%0.192CC..EExtended strand (participates in β ladder)trans-109.9129.2166.8179.90000108L40 V42 F102 I133 V136 L137 R142 Y143 I144L40-V105 HydrophobicContact CB-CG2 4.22Å; L40-V105 HydrophobicContact CD2-CG1 4.48Å; L40-V105 HydrophobicContact CD2-CG2 4.28Å; L40-V105 CarbonylContact O-C 3.36Å; L40-V105 WeakPolarHBondContact O-CA 3.37Å; V42-V105 HydrophobicContact CG1-CG1 3.97Å; F102-V105 HydrophobicContact CB-CG2 4.41Å; V105-I133 HydrophobicContact CB-CG2 4.21Å; V105-I133 HydrophobicContact CG1-CG1 4.2Å; V105-I133 HydrophobicContact CG1-CG2 4.03Å; V105-I133 HydrophobicContact CG2-CG2 4.38Å; V105-V136 HydrophobicContact CG2-CG2 4.16Å; V105-L137 HydrophobicContact CB-CD1 4.28Å; V105-L137 HydrophobicContact CG2-CD1 3.75Å; V105-R142 PolarHBondContact N-O 2.93Å; V105-Y143 HydrophobicContact CB-CD2 4.08Å; V105-Y143 HydrophobicContact CG1-CD2 4.03Å; V105-Y143 HydrophobicContact CG1-CE2 4.21Å; V105-Y143 WeakPolarHBondContact O-CA 3.43Å; V105-I144 PolarHBondContact O-N 3.1Å
106V97.9Very high96.2Very high0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-116.7122.6178-1710000109.7V29 I39 L40 E41 V42 F49 V104 I144V29-V106 HydrophobicContact CG1-CG2 4.48Å; V29-V106 HydrophobicContact CG2-CG1 4.36Å; V29-V106 HydrophobicContact CG2-CG2 4.06Å; I39-V106 HydrophobicContact CG2-CG2 4.04Å; L40-V106 PolarHBondContact O-N 3.46Å; E41-V106 WeakPolarHBondContact CA-O 3.4Å; V42-V106 PolarHBondContact N-O 2.91Å; F49-V106 HydrophobicContact CE1-CB 4.15Å; F49-V106 HydrophobicContact CE1-CG1 3.58Å; F49-V106 HydrophobicContact CZ-CG1 3.82Å; V104-V106 HydrophobicContact CG1-CG2 3.86Å; V106-I144 WeakPolarHBondContact CA-O 3.46Å
107D95.9Very high96Very high1 Ų134.3 Ų34.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-107.5117.2172.8-178.1-40.8000108.6V42 G109 T110 L111 Y143 I144 V145 I146V42-D107 HydrophobicContact CG2-CB 3.8Å; D107-G109 PolarHBondContact OD1-N 3.09Å; D107-T110 WeakPolarHBondContact OD1-CA 3.47Å; D107-T110 VanDerWaalsContact OD1-CB 3.31Å; D107-T110 WeakPolarHBondContact OD1-CB 2.99Å; D107-T110 PolarHBondContact OD1-N 3.14Å; D107-T110 WeakPolarHBondContact OD2-CB 3.32Å; D107-L111 PolarHBondContact OD1-N 2.73Å; D107-L111 WeakPolarHBondContact OD2-CG 3.3Å; D107-L111 PolarHBondContact OD2-N 3.09Å; D107-Y143 HydrophobicContact CB-CE2 3.7Å; D107-Y143 PolarHBondContact OD2-OH 3.36Å; D107-I144 PolarHBondContact N-O 3.04Å; D107-V145 HydrophobicContact CB-CG1 4.46Å; D107-V145 HydrophobicContact CB-CG2 4.45Å; D107-I146 PolarHBondContact O-N 2.84Å
108K93.8Very high95.7Very high9 Ų939.6 Ų39.64%0.03922%0.22CC..EExtended strand (participates in β ladder)trans-111.888.2174.7-163.9178.271.6125.60109.4E17 K18 S22 F25 S47 F49 T110 I146E17-K108 PolarHBondContact O-NZ 3.34Å; E17-K108 IonicContact OE2-NZ 3.34Å; E17-K108 PolarHBondContact OE2-NZ 3.41Å; K18-K108 VanDerWaalsContact CD-O 3.32Å; K18-K108 WeakPolarHBondContact CD-O 3.34Å; K18-K108 WeakPolarHBondContact O-CD 3.36Å; K18-K108 WeakPolarHBondContact O-CE 3.41Å; K18-K108 WeakPolarHBondContact O-CG 3.34Å; K18-K108 PolarHBondContact O-NZ 3.36Å; K18-K108 VanDerWaalsContact O-NZ 3.17Å; S22-K108 PolarHBondContact OG-NZ 3.4Å; F25-K108 HydrophobicContact CD2-CD 4.05Å; F25-K108 HydrophobicContact CE2-CD 4.48Å; S47-K108 WeakPolarHBondContact OG-CE 3.34Å; S47-K108 PolarHBondContact OG-NZ 3.47Å; F49-K108 HydrophobicContact CB-CD 4.43Å; F49-K108 HydrophobicContact CD2-CD 4.41Å; F49-K108 HydrophobicContact CG-CD 4.25Å; K108-T110 PolarHBondContact O-N 2.65Å; K108-I146 HydrophobicContact CG-CB 4.24Å; K108-I146 HydrophobicContact CG-CD1 4.17Å; K108-I146 HydrophobicContact CG-CG2 4.32Å
109G92.6Very high95.6Very high1 Ų137.5 Ų37.51%0.0121%0.209CC..SBendtrans65.510.4-17900000114.9K18 D107 L111 D112 T113 I146K18-G109 VanDerWaalsContact CE-C 3.45Å; K18-G109 WeakPolarHBondContact CE-O 3.32Å; K18-G109 PolarHBondContact NZ-O 3.13Å; D107-G109 PolarHBondContact OD1-N 3.09Å; G109-L111 VanDerWaalsContact C-N 3.27Å; G109-L111 PolarHBondContact O-N 2.92Å; G109-D112 WeakPolarHBondContact CA-OD2 2.95Å; G109-D112 WeakPolarHBondContact O-CB 3.24Å; G109-D112 PolarHBondContact O-N 2.89Å; G109-D112 VanDerWaalsContact O-N 3.09Å; G109-T113 PolarHBondContact O-N 3.25Å; G109-T113 VanDerWaalsContact O-N 3.09Å; G109-I146 WeakPolarHBondContact CA-O 3.33Å; G109-I146 PolarHBondContact N-O 2.82Å
110T95.2Very high95.5Very high10 Ų1041.3 Ų41.36%0.06122%0.224CC..Hα-helixtrans-61.2-38.5179.8-64.40000110.8V42 G43 V91 D107 K108 D112 T113 L114V42-T110 HydrophobicContact CG2-CG2 4.33Å; V42-T110 PolarHBondContact O-OG1 2.7Å; G43-T110 WeakPolarHBondContact CA-OG1 3.2Å; V91-T110 HydrophobicContact CG1-CG2 4.11Å; D107-T110 WeakPolarHBondContact OD1-CA 3.47Å; D107-T110 VanDerWaalsContact OD1-CB 3.31Å; D107-T110 WeakPolarHBondContact OD1-CB 2.99Å; D107-T110 PolarHBondContact OD1-N 3.14Å; D107-T110 WeakPolarHBondContact OD2-CB 3.32Å; K108-T110 PolarHBondContact O-N 2.65Å; T110-D112 PolarHBondContact O-N 2.82Å; T110-T113 WeakPolarHBondContact O-CB 3.14Å; T110-T113 PolarHBondContact O-N 3.09Å; T110-T113 VanDerWaalsContact O-N 3.13Å; T110-L114 HydrophobicContact CG2-CD1 4.38Å; T110-L114 WeakPolarHBondContact O-CG 3.49Å; T110-L114 PolarHBondContact O-N 3.45Å
111L95.1Very high95.4Very high2 Ų245.5 Ų45.51%0.0124%0.238CC..Hα-helixtrans-57.7-45.7169.5-60.2-172000113D107 G109 T113 L114 M115 V126 F130 V145 V153D107-L111 PolarHBondContact OD1-N 2.73Å; D107-L111 WeakPolarHBondContact OD2-CG 3.3Å; D107-L111 PolarHBondContact OD2-N 3.09Å; G109-L111 VanDerWaalsContact C-N 3.27Å; G109-L111 PolarHBondContact O-N 2.92Å; L111-T113 PolarHBondContact O-N 2.95Å; L111-L114 PolarHBondContact O-N 3Å; L111-M115 PolarHBondContact O-N 3.14Å; L111-V126 HydrophobicContact CD2-CG1 4.21Å; L111-V126 HydrophobicContact CD2-CG2 4.46Å; L111-F130 HydrophobicContact CD1-CE1 3.8Å; L111-F130 HydrophobicContact CD1-CZ 3.95Å; L111-F130 HydrophobicContact CD2-CD1 4.47Å; L111-F130 HydrophobicContact CD2-CE1 3.66Å; L111-F130 HydrophobicContact CD2-CZ 4.16Å; L111-F130 HydrophobicContact CG-CE1 4.38Å; L111-V145 HydrophobicContact CD1-CG1 3.87Å; L111-V145 HydrophobicContact CG-CG1 4.48Å; L111-V153 HydrophobicContact CB-CG1 3.85Å; L111-V153 HydrophobicContact CD1-CG1 3.95Å
112D93.8Very high95.3Very high13 Ų1343.3 Ų43.37%0.0723%0.228CC..Hα-helixtrans-61.2-28.2178.6-52-41.2000111.5G109 T110 M115 S147 L148G109-D112 WeakPolarHBondContact CA-OD2 2.95Å; G109-D112 WeakPolarHBondContact O-CB 3.24Å; G109-D112 PolarHBondContact O-N 2.89Å; G109-D112 VanDerWaalsContact O-N 3.09Å; T110-D112 PolarHBondContact O-N 2.82Å; D112-M115 CarbonylContact O-C 3.29Å; D112-S147 WeakPolarHBondContact OD1-CB 3.44Å; D112-S147 PolarHBondContact OD1-OG 3.23Å; D112-S147 VanDerWaalsContact OD2-CA 3.28Å; D112-S147 WeakPolarHBondContact OD2-CA 3.45Å; D112-S147 PolarHBondContact OD2-OG 2.99Å; D112-L148 PolarHBondContact OD2-N 3.34Å; D112-L148 VanDerWaalsContact OD2-N 3.08Å
113T93.3Very high95.2Very high81 Ų8145.3 Ų45.350%0.49724%0.241SC..Hα-helixtrans-80.6-35.4174.2-66.40000113.3K18 G109 T110 L111 M115K18-T113 VanDerWaalsContact CE-OG1 3.3Å; K18-T113 WeakPolarHBondContact CE-OG1 3.37Å; K18-T113 PolarHBondContact NZ-OG1 3.01Å; G109-T113 PolarHBondContact O-N 3.25Å; G109-T113 VanDerWaalsContact O-N 3.09Å; T110-T113 WeakPolarHBondContact O-CB 3.14Å; T110-T113 PolarHBondContact O-N 3.09Å; T110-T113 VanDerWaalsContact O-N 3.13Å; L111-T113 PolarHBondContact O-N 2.95Å; T113-M115 VanDerWaalsContact C-N 3.3Å
114L94.8Very high95.2Very high28 Ų2845.5 Ų45.515%0.14725%0.251CS..Hα-helixtrans-72.3-28.4176-70.7176.2000112.2V91 R92 T110 L111 T122 V126 A129V91-L114 HydrophobicContact CG1-CD1 3.85Å; R92-L114 HydrophobicContact CG-CD2 4.47Å; T110-L114 HydrophobicContact CG2-CD1 4.38Å; T110-L114 WeakPolarHBondContact O-CG 3.49Å; T110-L114 PolarHBondContact O-N 3.45Å; L111-L114 PolarHBondContact O-N 3Å; L114-T122 WeakPolarHBondContact O-CG2 3.27Å; L114-V126 HydrophobicContact CB-CG2 3.77Å; L114-V126 HydrophobicContact CD1-CG2 4.43Å; L114-A129 HydrophobicContact CD1-CB 3.77Å
115M94.6Very high95.1Very high1 Ų146.2 Ų46.21%0.00526%0.257CS..  trans-131.470.7-176.2-171.2178.5-79.500110.6L111 D112 T113 T117 T122 V123 V126 F152 V153 A156L111-M115 PolarHBondContact O-N 3.14Å; D112-M115 CarbonylContact O-C 3.29Å; T113-M115 VanDerWaalsContact C-N 3.3Å; M115-T117 WeakPolarHBondContact CG-O 3.04Å; M115-T117 PolarHBondContact O-N 3.25Å; M115-T122 WeakPolarHBondContact CE-O 3.12Å; M115-V123 VanDerWaalsContact CE-CA 3.46Å; M115-V123 HydrophobicContact CE-CB 4.21Å; M115-V123 HydrophobicContact CE-CG2 3.78Å; M115-V126 HydrophobicContact CB-CG2 3.86Å; M115-V126 HydrophobicContact CE-CB 3.89Å; M115-V126 HydrophobicContact CE-CG1 4.43Å; M115-V126 HydrophobicContact CE-CG2 3.73Å; M115-V126 HydrophobicContact SD-CG2 4.49Å; M115-F152 HydrophobicContact CG-CD2 3.61Å; M115-F152 HydrophobicContact CG-CE2 3.81Å; M115-F152 WeakPolarHBondContact O-CE2 3.44Å; M115-F152 HydrophobicContact SD-CB 4.39Å; M115-F152 HydrophobicContact SD-CD2 3.51Å; M115-F152 VanDerWaalsContact SD-CD2 3.51Å; M115-F152 HydrophobicContact SD-CE2 4.27Å; M115-F152 HydrophobicContact SD-CG 4.39Å; M115-V153 HydrophobicContact SD-CG2 4.31Å; M115-A156 HydrophobicContact CE-CB 3.97Å; M115-A156 HydrophobicContact SD-CB 4.33Å
116P90.1Very high95.1Very high80 Ų8046.3 Ų46.352%0.51926%0.257SS..SBendtrans-70.8-22.3173.829.9-35.6000112.3
117T92Very high95.1Very high87 Ų8749.5 Ų49.553%0.53427%0.271SS..SBendtrans-142.1158.7174.761.60000109.9M115 T122M115-T117 WeakPolarHBondContact CG-O 3.04Å; M115-T117 PolarHBondContact O-N 3.25Å; T117-T122 WeakPolarHBondContact O-CB 3.4Å; T117-T122 PolarHBondContact O-OG1 2.89Å
118E93.1Very high95.2Very high114 Ų11451.1 Ų51.153%0.53329%0.285SS..  trans-80.5120.1173.3-169.9173.5-162.800110.5F152E118-F152 HydrophobicContact CB-CB 3.99Å; E118-F152 HydrophobicContact CB-CD1 4.28Å; E118-F152 HydrophobicContact CB-CG 4.15Å; E118-F152 HydrophobicContact CG-CB 4.12Å
119S96Very high95.4Very high47 Ų4750.7 Ų50.733%0.32928%0.283SS..  trans-158.2157.1174.769.20000109.4K121 T122 V123S119-K121 PolarHBondContact O-N 3.16Å; S119-K121 VanDerWaalsContact O-N 3.11Å; S119-T122 PolarHBondContact N-OG1 3.38Å; S119-T122 PolarHBondContact O-N 3.49Å; S119-T122 PolarHBondContact O-OG1 2.87Å; S119-T122 WeakPolarHBondContact OG-CG2 3.19Å; S119-T122 PolarHBondContact OG-N 3.29Å; S119-T122 VanDerWaalsContact OG-N 3.15Å; S119-T122 PolarHBondContact OG-OG1 2.92Å; S119-V123 WeakPolarHBondContact O-CG2 3.29Å; S119-V123 PolarHBondContact O-N 2.89Å
120E95.4Very high95.7Very high182 Ų18250.7 Ų50.785%0.8528%0.283SS*.Hα-helixtrans-52.4-37.8175.7-65.8-179.6176.300112.3A124E120-A124 WeakPolarHBondContact O-CB 3.37Å; E120-A124 PolarHBondContact O-N 3.29Å
121K97.3Very high95.8Very high174 Ų17453.7 Ų53.776%0.75730%0.301SS*.Hα-helixtrans-66.3-43.6178.5-176.8-178.9177.2-176.90112.7S119 A125S119-K121 PolarHBondContact O-N 3.16Å; S119-K121 VanDerWaalsContact O-N 3.11Å; K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.3Å; K121-A125 VanDerWaalsContact O-N 3.08Å
122T96.6Very high96Very high16 Ų1654.8 Ų54.810%0.09831%0.306CS..Hα-helixtrans-74.1-35.5-179.250.50000111.3L114 M115 T117 S119 A125 V126L114-T122 WeakPolarHBondContact O-CG2 3.27Å; M115-T122 WeakPolarHBondContact CE-O 3.12Å; T117-T122 WeakPolarHBondContact O-CB 3.4Å; T117-T122 PolarHBondContact O-OG1 2.89Å; S119-T122 PolarHBondContact N-OG1 3.38Å; S119-T122 PolarHBondContact O-N 3.49Å; S119-T122 PolarHBondContact O-OG1 2.87Å; S119-T122 WeakPolarHBondContact OG-CG2 3.19Å; S119-T122 PolarHBondContact OG-N 3.29Å; S119-T122 VanDerWaalsContact OG-N 3.15Å; S119-T122 PolarHBondContact OG-OG1 2.92Å; T122-A125 PolarHBondContact O-N 3.43Å; T122-V126 PolarHBondContact O-N 3.23Å
123V96.4Very high96.2Very high47 Ų4754.2 Ų54.229%0.28530%0.303SS..Hα-helixtrans-60.8-50.5171.3174.40000110.9M115 S119 A125 V126 F127M115-V123 VanDerWaalsContact CE-CA 3.46Å; M115-V123 HydrophobicContact CE-CB 4.21Å; M115-V123 HydrophobicContact CE-CG2 3.78Å; S119-V123 WeakPolarHBondContact O-CG2 3.29Å; S119-V123 PolarHBondContact O-N 2.89Å; V123-A125 VanDerWaalsContact C-N 3.27Å; V123-A125 PolarHBondContact O-N 3.14Å; V123-V126 PolarHBondContact O-N 2.93Å; V123-F127 HydrophobicContact CG1-CD2 3.94Å; V123-F127 HydrophobicContact CG1-CE2 3.88Å; V123-F127 VanDerWaalsContact O-CD2 3.31Å; V123-F127 WeakPolarHBondContact O-CD2 3.39Å; V123-F127 PolarHBondContact O-N 2.83Å
124A97.3Very high96.4Very high62 Ų6254.9 Ų54.951%0.51230%0.304SS..Hα-helixtrans-59.5-38.117700000112.5E120 A128E120-A124 WeakPolarHBondContact O-CB 3.37Å; E120-A124 PolarHBondContact O-N 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.45Å; A124-A128 PolarHBondContact O-N 3.39Å
125A97.7Very high96.5Very high16 Ų1656.4 Ų56.413%0.13231%0.308CS..Hα-helixtrans-64.8-42.6176.900000112.5K121 T122 V123 A129K121-A125 WeakPolarHBondContact O-CB 3.46Å; K121-A125 PolarHBondContact O-N 3.3Å; K121-A125 VanDerWaalsContact O-N 3.08Å; T122-A125 PolarHBondContact O-N 3.43Å; V123-A125 VanDerWaalsContact C-N 3.27Å; V123-A125 PolarHBondContact O-N 3.14Å; A125-A129 PolarHBondContact O-N 3.38Å; A125-A129 VanDerWaalsContact O-N 3.13Å
126V97.5Very high96.7Very high2 Ų256.3 Ų56.31%0.01231%0.307CS..Hα-helixtrans-69.2-40.7177.1165.70000111.5L111 L114 M115 T122 V123 A128 A129 F130 A156L111-V126 HydrophobicContact CD2-CG1 4.21Å; L111-V126 HydrophobicContact CD2-CG2 4.46Å; L114-V126 HydrophobicContact CB-CG2 3.77Å; L114-V126 HydrophobicContact CD1-CG2 4.43Å; M115-V126 HydrophobicContact CB-CG2 3.86Å; M115-V126 HydrophobicContact CE-CB 3.89Å; M115-V126 HydrophobicContact CE-CG1 4.43Å; M115-V126 HydrophobicContact CE-CG2 3.73Å; M115-V126 HydrophobicContact SD-CG2 4.49Å; T122-V126 PolarHBondContact O-N 3.23Å; V123-V126 PolarHBondContact O-N 2.93Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 3.46Å; V126-A129 CarbonylContact O-C 3.56Å; V126-A129 WeakPolarHBondContact O-CA 3.12Å; V126-A129 WeakPolarHBondContact O-CB 3.18Å; V126-A129 PolarHBondContact O-N 2.9Å; V126-A129 VanDerWaalsContact O-N 3.11Å; V126-F130 HydrophobicContact CG1-CD1 4.46Å; V126-F130 HydrophobicContact CG1-CD2 3.78Å; V126-F130 HydrophobicContact CG1-CE1 3.97Å; V126-F130 HydrophobicContact CG1-CE2 3.2Å; V126-F130 HydrophobicContact CG1-CG 4.38Å; V126-F130 HydrophobicContact CG1-CZ 3.32Å; V126-F130 WeakPolarHBondContact O-CG 2.76Å; V126-F130 PolarHBondContact O-N 3Å; V126-A156 HydrophobicContact CG1-CB 4.17Å
127F97.7Very high97.1Very high66 Ų6653.8 Ų53.829%0.28929%0.289SS..Hα-helixtrans-65.4-35.9177.1-86-127.6000112.6V123 F130 T131 A156 D159 F160V123-F127 HydrophobicContact CG1-CD2 3.94Å; V123-F127 HydrophobicContact CG1-CE2 3.88Å; V123-F127 VanDerWaalsContact O-CD2 3.31Å; V123-F127 WeakPolarHBondContact O-CD2 3.39Å; V123-F127 PolarHBondContact O-N 2.83Å; F127-F130 HydrophobicContact CD2-CD2 4.48Å; F127-F130 PolarHBondContact O-N 2.97Å; F127-T131 PolarHBondContact O-N 3.31Å; F127-T131 PolarHBondContact O-OG1 2.96Å; F127-A156 HydrophobicContact CE2-CB 4.2Å; F127-D159 HydrophobicContact CZ-CB 4.07Å; F127-F160 AromaticContact CD1-CD2 3.88Å; F127-F160 HydrophobicContact CD1-CD2 3.88Å; F127-F160 HydrophobicContact CE1-CD2 4.18Å; F127-F160 HydrophobicContact CG-CD2 4.19Å; F127-F160 HydrophobicContact CZ-CB 4.41Å
128A98.3Very high97.4Very high36 Ų3650.4 Ų50.430%0.29827%0.27SS..Hα-helixtrans-63.9-41.5171.200000111.5R92 A124 V126 E132R92-A128 HydrophobicContact CB-CB 4.05Å; R92-A128 HydrophobicContact CG-CB 4.38Å; A124-A128 WeakPolarHBondContact O-CB 3.45Å; A124-A128 PolarHBondContact O-N 3.39Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 3.46Å; A128-E132 PolarHBondContact O-N 2.92Å
129A98.5Very high97.5Very high0 Ų050.7 Ų50.70%028%0.28CS..Hα-helixtrans-64-43174.600000112V91 R92 L114 A125 V126 E132 I133V91-A129 HydrophobicContact CG1-CB 3.96Å; V91-A129 HydrophobicContact CG2-CB 4.08Å; R92-A129 HydrophobicContact CG-CB 4.42Å; L114-A129 HydrophobicContact CD1-CB 3.77Å; A125-A129 PolarHBondContact O-N 3.38Å; A125-A129 VanDerWaalsContact O-N 3.13Å; V126-A129 CarbonylContact O-C 3.56Å; V126-A129 WeakPolarHBondContact O-CA 3.12Å; V126-A129 WeakPolarHBondContact O-CB 3.18Å; V126-A129 PolarHBondContact O-N 2.9Å; V126-A129 VanDerWaalsContact O-N 3.11Å; A129-E132 PolarHBondContact O-N 3.19Å; A129-I133 WeakPolarHBondContact O-CB 3.45Å; A129-I133 WeakPolarHBondContact O-CD1 3.44Å; A129-I133 WeakPolarHBondContact O-CG1 3.48Å; A129-I133 PolarHBondContact O-N 3.03Å
130F98.2Very high97.3Very high0 Ų053.8 Ų53.80%030%0.301CS..Hα-helixtrans-62.8-42.9177.2-66.5-29.1000112.8L111 V126 F127 E132 I133 D134 Y143 A156 W157 F160 F161L111-F130 HydrophobicContact CD1-CE1 3.8Å; L111-F130 HydrophobicContact CD1-CZ 3.95Å; L111-F130 HydrophobicContact CD2-CD1 4.47Å; L111-F130 HydrophobicContact CD2-CE1 3.66Å; L111-F130 HydrophobicContact CD2-CZ 4.16Å; L111-F130 HydrophobicContact CG-CE1 4.38Å; V126-F130 HydrophobicContact CG1-CD1 4.46Å; V126-F130 HydrophobicContact CG1-CD2 3.78Å; V126-F130 HydrophobicContact CG1-CE1 3.97Å; V126-F130 HydrophobicContact CG1-CE2 3.2Å; V126-F130 HydrophobicContact CG1-CG 4.38Å; V126-F130 HydrophobicContact CG1-CZ 3.32Å; V126-F130 WeakPolarHBondContact O-CG 2.76Å; V126-F130 PolarHBondContact O-N 3Å; F127-F130 HydrophobicContact CD2-CD2 4.48Å; F127-F130 PolarHBondContact O-N 2.97Å; F130-E132 VanDerWaalsContact C-N 3.28Å; F130-E132 PolarHBondContact O-N 3.3Å; F130-I133 PolarHBondContact O-N 3.43Å; F130-D134 VanDerWaalsContact O-CB 3.32Å; F130-D134 WeakPolarHBondContact O-CB 3.37Å; F130-D134 PolarHBondContact O-N 3.08Å; F130-Y143 HydrophobicContact CD1-CE1 4.22Å; F130-Y143 HydrophobicContact CE1-CE1 4.07Å; F130-A156 HydrophobicContact CE2-CB 4.47Å; F130-A156 WeakPolarHBondContact CE2-O 3.44Å; F130-W157 HydrophobicContact CZ-CB 4.13Å; F130-W157 HydrophobicContact CZ-CG 4.5Å; F130-F160 HydrophobicContact CB-CD1 3.66Å; F130-F160 HydrophobicContact CB-CD2 3.76Å; F130-F160 HydrophobicContact CB-CE1 3.63Å; F130-F160 HydrophobicContact CB-CE2 3.72Å; F130-F160 HydrophobicContact CB-CG 3.74Å; F130-F160 HydrophobicContact CB-CZ 3.65Å; F130-F160 HydrophobicContact CD2-CB 3.58Å; F130-F160 HydrophobicContact CD2-CD1 4.15Å; F130-F160 AromaticContact CD2-CD2 3.95Å; F130-F160 HydrophobicContact CD2-CD2 3.95Å; F130-F160 AromaticContact CD2-CG 3.62Å; F130-F160 HydrophobicContact CD2-CG 3.62Å; F130-F160 HydrophobicContact CE2-CB 4.09Å; F130-F160 HydrophobicContact CG-CB 4.44Å; F130-F160 HydrophobicContact CG-CD1 4.19Å; F130-F160 HydrophobicContact CG-CD2 4.37Å; F130-F160 HydrophobicContact CG-CG 4.07Å; F130-F161 HydrophobicContact CB-CE2 4.18Å; F130-F161 HydrophobicContact CB-CZ 4.07Å; F130-F161 AromaticContact CD1-CE2 3.64Å; F130-F161 HydrophobicContact CD1-CE2 3.64Å; F130-F161 HydrophobicContact CD1-CZ 4.08Å; F130-F161 HydrophobicContact CD2-CE2 4.18Å; F130-F161 AromaticContact CE1-CE2 3.94Å; F130-F161 HydrophobicContact CE1-CE2 3.94Å; F130-F161 HydrophobicContact CE2-CE2 4.43Å; F130-F161 AromaticContact CG-CE2 3.77Å; F130-F161 HydrophobicContact CG-CE2 3.77Å; F130-F161 HydrophobicContact CG-CZ 4.13Å; F130-F161 HydrophobicContact CZ-CE2 4.33Å
131T98.1Very high97.4Very high74 Ų7446.1 Ų46.145%0.45427%0.271SS..Hα-helixtrans-55.1-46.2174.1-57.50000111.4F127 R135F127-T131 PolarHBondContact O-N 3.31Å; F127-T131 PolarHBondContact O-OG1 2.96Å; T131-R135 VanDerWaalsContact O-CB 3.3Å; T131-R135 WeakPolarHBondContact O-CB 3.31Å; T131-R135 PolarHBondContact O-N 2.99Å
132E98.7Very high97.4Very high24 Ų2443.7 Ų43.711%0.11226%0.257CS..Hα-helixtrans-72.7-37-179.4-75.2-68.499.800112.7V91 M94 A128 A129 F130 R135 V136V91-E132 WeakPolarHBondContact O-CB 3.38Å; M94-E132 VanDerWaalsContact CA-OE2 3.31Å; M94-E132 WeakPolarHBondContact CA-OE2 3.36Å; M94-E132 WeakPolarHBondContact CB-OE2 3.16Å; M94-E132 HydrophobicContact CE-CB 3.55Å; M94-E132 WeakPolarHBondContact CE-O 3.47Å; M94-E132 HydrophobicContact CG-CB 4.43Å; M94-E132 PolarHBondContact N-OE2 2.93Å; A128-E132 PolarHBondContact O-N 2.92Å; A129-E132 PolarHBondContact O-N 3.19Å; F130-E132 VanDerWaalsContact C-N 3.28Å; F130-E132 PolarHBondContact O-N 3.3Å; E132-R135 PolarHBondContact O-N 2.87Å; E132-R135 IonicContact OE1-CZ 2.68Å; E132-R135 IonicContact OE1-NE 2.73Å; E132-R135 PolarHBondContact OE1-NE 2.92Å; E132-R135 IonicContact OE1-NH2 3.58Å; E132-R135 IonicContact OE2-CZ 3.27Å; E132-R135 IonicContact OE2-NE 3.58Å; E132-R135 IonicContact OE2-NH2 3.3Å; E132-R135 PolarHBondContact OE2-NH2 3.42Å; E132-V136 WeakPolarHBondContact O-CG1 3.31Å; E132-V136 WeakPolarHBondContact O-CG2 3.42Å; E132-V136 PolarHBondContact O-N 2.91Å
133I98.6Very high97.4Very high1 Ų145 Ų451%0.00526%0.261CS..Hα-helixtrans-63.3-47175.4-71.9166.8000110.4V91 M94 V105 A129 F130 R135 V136 L137 Y143V91-I133 HydrophobicContact CG2-CD1 4.07Å; V91-I133 HydrophobicContact CG2-CG1 4.15Å; M94-I133 HydrophobicContact CE-CG1 4.41Å; V105-I133 HydrophobicContact CB-CG2 4.21Å; V105-I133 HydrophobicContact CG1-CG1 4.2Å; V105-I133 HydrophobicContact CG1-CG2 4.03Å; V105-I133 HydrophobicContact CG2-CG2 4.38Å; A129-I133 WeakPolarHBondContact O-CB 3.45Å; A129-I133 WeakPolarHBondContact O-CD1 3.44Å; A129-I133 WeakPolarHBondContact O-CG1 3.48Å; A129-I133 PolarHBondContact O-N 3.03Å; F130-I133 PolarHBondContact O-N 3.43Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.18Å; I133-V136 PolarHBondContact O-N 3.33Å; I133-L137 VanDerWaalsContact O-CB 3.26Å; I133-L137 WeakPolarHBondContact O-CB 3.31Å; I133-L137 PolarHBondContact O-N 3.13Å; I133-L137 VanDerWaalsContact O-N 3.12Å; I133-Y143 HydrophobicContact CD1-CE1 4.42Å; I133-Y143 HydrophobicContact CD1-CE2 3.82Å; I133-Y143 HydrophobicContact CG2-CD1 4.08Å; I133-Y143 HydrophobicContact CG2-CD2 3.74Å; I133-Y143 HydrophobicContact CG2-CE1 4.29Å; I133-Y143 HydrophobicContact CG2-CE2 3.97Å; I133-Y143 HydrophobicContact CG2-CG 3.81Å
134D97.2Very high97.4Very high95 Ų9544.1 Ų44.151%0.50825%0.254SS..Hα-helixtrans-60.1-45176.6-172.261.4000111F130 V136 L137F130-D134 VanDerWaalsContact O-CB 3.32Å; F130-D134 WeakPolarHBondContact O-CB 3.37Å; F130-D134 PolarHBondContact O-N 3.08Å; D134-V136 PolarHBondContact O-N 2.99Å; D134-L137 PolarHBondContact O-N 3.13Å
135R98.2Very high97.3Very high60 Ų6043.6 Ų43.623%0.22625%0.245CC..Hα-helixtrans-60-46.4178.9-175.9-177.867.573.6-1113.4M94 F97 N99 D100 T131 E132 I133 L137M94-R135 PolarHBondContact O-NH2 3.36Å; F97-R135 PolarHBondContact O-NH1 3.1Å; F97-R135 PolarHBondContact O-NH2 3.02Å; N99-R135 VanDerWaalsContact CA-O 3.23Å; N99-R135 WeakPolarHBondContact CA-O 3.3Å; N99-R135 HydrophobicContact CB-CG 4.44Å; N99-R135 WeakPolarHBondContact OD1-CD 3.5Å; N99-R135 WeakPolarHBondContact OD1-CG 3.39Å; N99-R135 PolarHBondContact OD1-NH1 2.96Å; N99-R135 VanDerWaalsContact OD1-NH1 3.11Å; D100-R135 PolarHBondContact N-O 3.06Å; D100-R135 VanDerWaalsContact N-O 3.08Å; T131-R135 VanDerWaalsContact O-CB 3.3Å; T131-R135 WeakPolarHBondContact O-CB 3.31Å; T131-R135 PolarHBondContact O-N 2.99Å; E132-R135 PolarHBondContact O-N 2.87Å; E132-R135 IonicContact OE1-CZ 2.68Å; E132-R135 IonicContact OE1-NE 2.73Å; E132-R135 PolarHBondContact OE1-NE 2.92Å; E132-R135 IonicContact OE1-NH2 3.58Å; E132-R135 IonicContact OE2-CZ 3.27Å; E132-R135 IonicContact OE2-NE 3.58Å; E132-R135 IonicContact OE2-NH2 3.3Å; E132-R135 PolarHBondContact OE2-NH2 3.42Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.18Å; R135-L137 VanDerWaalsContact C-N 3.33Å
136V98.6Very high97.1Very high0 Ų044.2 Ų44.20%025%0.245CC..Hα-helixtrans-83.3-12.3-175.2-56.70000113.2L40 M94 F97 D100 E101 F102 V105 E132 I133 D134L40-V136 HydrophobicContact CD2-CG2 3.93Å; M94-V136 HydrophobicContact CE-CG1 4.02Å; M94-V136 HydrophobicContact CE-CG2 3.73Å; F97-V136 HydrophobicContact CB-CG1 3.94Å; D100-V136 CarbonylContact C-O 3.59Å; E101-V136 PolarHBondContact N-O 3.47Å; F102-V136 HydrophobicContact CD2-CB 4.05Å; F102-V136 HydrophobicContact CD2-CG2 4.09Å; F102-V136 PolarHBondContact N-O 2.83Å; V105-V136 HydrophobicContact CG2-CG2 4.16Å; E132-V136 WeakPolarHBondContact O-CG1 3.31Å; E132-V136 WeakPolarHBondContact O-CG2 3.42Å; E132-V136 PolarHBondContact O-N 2.91Å; I133-V136 PolarHBondContact O-N 3.33Å; D134-V136 PolarHBondContact O-N 2.99Å
137L98.5Very high96.8Very high27 Ų2745.4 Ų45.414%0.14125%0.254CS..EExtended strand (participates in β ladder)trans-77129.2178-16671.6000109.7F102 V105 I133 D134 R135F102-L137 CarbonylContact O-C 3.54Å; F102-L137 WeakPolarHBondContact O-CA 3.44Å; V105-L137 HydrophobicContact CB-CD1 4.28Å; V105-L137 HydrophobicContact CG2-CD1 3.75Å; I133-L137 VanDerWaalsContact O-CB 3.26Å; I133-L137 WeakPolarHBondContact O-CB 3.31Å; I133-L137 PolarHBondContact O-N 3.13Å; I133-L137 VanDerWaalsContact O-N 3.12Å; D134-L137 PolarHBondContact O-N 3.13Å; R135-L137 VanDerWaalsContact C-N 3.33Å
138A98.2Very high96.4Very high15 Ų1546.7 Ų46.712%0.12426%0.263CS..EExtended strand (participates in β ladder)trans-62.2154175.200000111.3D100 F102 S140 G141D100-A138 HydrophobicContact CB-CB 4.36Å; D100-A138 WeakPolarHBondContact OD1-CA 3.49Å; F102-A138 WeakPolarHBondContact O-CB 3.48Å; F102-A138 PolarHBondContact O-N 3.38Å; A138-S140 PolarHBondContact O-N 3.23Å; A138-G141 VanDerWaalsContact O-CA 3.28Å; A138-G141 WeakPolarHBondContact O-CA 3.34Å; A138-G141 PolarHBondContact O-N 3Å
139T95Very high95.9Very high120 Ų12049.2 Ų49.274%0.73628%0.278SS*.EExtended strand (participates in β ladder)trans-46.6128.8165-60.90000111.2D100 G141D100-T139 PolarHBondContact OD1-N 2.72Å; D100-T139 PolarHBondContact OD1-OG1 3.09Å; T139-G141 PolarHBondContact O-N 3.44Å
140S92.2Very high95.6Very high112 Ų11252.6 Ų52.678%0.78329%0.294SS*.EExtended strand (participates in β ladder)trans6216.3-172.9-51.70000115.4A138A138-S140 PolarHBondContact O-N 3.23Å
141G96.7Very high95.4Very high22 Ų2259.3 Ų59.323%0.22733%0.325CS..EExtended strand (participates in β ladder)trans-68.9171.3172.900000112N103 A138 T139N103-G141 CarbonylContact O-C 3.57Å; N103-G141 WeakPolarHBondContact O-CA 3.44Å; A138-G141 VanDerWaalsContact O-CA 3.28Å; A138-G141 WeakPolarHBondContact O-CA 3.34Å; A138-G141 PolarHBondContact O-N 3Å; T139-G141 PolarHBondContact O-N 3.44Å
142R97.4Very high95.1Very high122 Ų12257.6 Ų57.646%0.4631%0.311SS..EExtended strand (participates in β ladder)trans-123.5127.9-177.9-67.8176.7175.876.16.7111.5Y32 N103 V104 V105 I144Y32-R142 WeakPolarHBondContact O-CD 3.46Å; Y32-R142 PolarHBondContact O-NE 3.38Å; N103-R142 PolarHBondContact O-N 3.14Å; V104-R142 CarbonylContact C-O 3.57Å; V104-R142 VanDerWaalsContact CA-O 3.29Å; V104-R142 WeakPolarHBondContact CA-O 3.48Å; V105-R142 PolarHBondContact N-O 2.93Å; R142-I144 HydrophobicContact CB-CG1 4.49Å
143Y97.4Very high94.9Very high43 Ų4356.7 Ų56.717%0.16931%0.307CS..EExtended strand (participates in β ladder)trans-97.1116.8165.9-179.5-146.2000109.4V105 D107 F130 I133 V145 F161V105-Y143 HydrophobicContact CB-CD2 4.08Å; V105-Y143 HydrophobicContact CG1-CD2 4.03Å; V105-Y143 HydrophobicContact CG1-CE2 4.21Å; V105-Y143 WeakPolarHBondContact O-CA 3.43Å; D107-Y143 HydrophobicContact CB-CE2 3.7Å; D107-Y143 PolarHBondContact OD2-OH 3.36Å; F130-Y143 HydrophobicContact CD1-CE1 4.22Å; F130-Y143 HydrophobicContact CE1-CE1 4.07Å; I133-Y143 HydrophobicContact CD1-CE1 4.42Å; I133-Y143 HydrophobicContact CD1-CE2 3.82Å; I133-Y143 HydrophobicContact CG2-CD1 4.08Å; I133-Y143 HydrophobicContact CG2-CD2 3.74Å; I133-Y143 HydrophobicContact CG2-CE1 4.29Å; I133-Y143 HydrophobicContact CG2-CE2 3.97Å; I133-Y143 HydrophobicContact CG2-CG 3.81Å; Y143-V145 HydrophobicContact CD1-CG2 3.95Å; Y143-V145 HydrophobicContact CD2-CG2 4.14Å; Y143-V145 HydrophobicContact CE1-CG2 3.45Å; Y143-V145 VanDerWaalsContact CE1-CG2 3.45Å; Y143-V145 HydrophobicContact CE2-CG2 3.67Å; Y143-V145 HydrophobicContact CG-CG2 4.26Å; Y143-F161 HydrophobicContact CD1-CE2 4.13Å; Y143-F161 HydrophobicContact CD1-CZ 4.08Å; Y143-F161 HydrophobicContact CE1-CE2 4.06Å; Y143-F161 HydrophobicContact CE1-CZ 4.27Å
144I96.1Very high94.7Very high30 Ų3059.6 Ų59.615%0.15433%0.325CS..EExtended strand (participates in β ladder)trans-111.7119.3-178-58.3176.5000108.5V29 V104 V105 V106 D107 R142V29-I144 HydrophobicContact CG1-CD1 4.49Å; V29-I144 HydrophobicContact CG2-CD1 4.21Å; V104-I144 HydrophobicContact CG1-CD1 3.92Å; V104-I144 HydrophobicContact CG1-CG1 4.35Å; V105-I144 PolarHBondContact O-N 3.1Å; V106-I144 WeakPolarHBondContact CA-O 3.46Å; D107-I144 PolarHBondContact N-O 3.04Å; R142-I144 HydrophobicContact CB-CG1 4.49Å
145V94.7Very high94.5Very high51 Ų5160 Ų6031%0.30932%0.319SS..EExtended strand (participates in β ladder)trans-113.5127.4-177.3-172.50000110.3D107 L111 Y143D107-V145 HydrophobicContact CB-CG1 4.46Å; D107-V145 HydrophobicContact CB-CG2 4.45Å; L111-V145 HydrophobicContact CD1-CG1 3.87Å; L111-V145 HydrophobicContact CG-CG1 4.48Å; Y143-V145 HydrophobicContact CD1-CG2 3.95Å; Y143-V145 HydrophobicContact CD2-CG2 4.14Å; Y143-V145 HydrophobicContact CE1-CG2 3.45Å; Y143-V145 VanDerWaalsContact CE1-CG2 3.45Å; Y143-V145 HydrophobicContact CE2-CG2 3.67Å; Y143-V145 HydrophobicContact CG-CG2 4.26Å
146I92.7Very high94.4Very high28 Ų2857.3 Ų57.314%0.14431%0.31CS..EExtended strand (participates in β ladder)trans-114.5107.3171.6-59159.2000106.1F25 D107 K108 G109F25-I146 HydrophobicContact CB-CD1 3.8Å; F25-I146 HydrophobicContact CD1-CD1 3.72Å; F25-I146 HydrophobicContact CD1-CG1 4.23Å; F25-I146 HydrophobicContact CD1-CG2 4.14Å; F25-I146 HydrophobicContact CD2-CD1 4.31Å; F25-I146 HydrophobicContact CE1-CD1 4.39Å; F25-I146 HydrophobicContact CE1-CG2 3.69Å; F25-I146 HydrophobicContact CE2-CG2 4.26Å; F25-I146 HydrophobicContact CG-CD1 3.69Å; F25-I146 HydrophobicContact CZ-CG2 3.76Å; D107-I146 PolarHBondContact O-N 2.84Å; K108-I146 HydrophobicContact CG-CB 4.24Å; K108-I146 HydrophobicContact CG-CD1 4.17Å; K108-I146 HydrophobicContact CG-CG2 4.32Å; G109-I146 WeakPolarHBondContact CA-O 3.33Å; G109-I146 PolarHBondContact N-O 2.82Å
147S91.1Very high94.1Very high27 Ų2762.2 Ų62.219%0.18933%0.329CS..  trans-137.7161.5-172.6160.40000110.6D112 C149D112-S147 WeakPolarHBondContact OD1-CB 3.44Å; D112-S147 PolarHBondContact OD1-OG 3.23Å; D112-S147 VanDerWaalsContact OD2-CA 3.28Å; D112-S147 WeakPolarHBondContact OD2-CA 3.45Å; D112-S147 PolarHBondContact OD2-OG 2.99Å; S147-C149 PolarHBondContact O-N 3.05Å; S147-C149 PolarHBondContact OG-N 3.11Å
148L89Confident94Very high94 Ų9465.3 Ų65.349%0.49235%0.345SS..  trans-65.6-8.8166.6-70.4-177.1000113.9Y19 D112 Q150Y19-L148 HydrophobicContact CD1-CD2 4.45Å; Y19-L148 HydrophobicContact CD2-CD2 4.16Å; Y19-L148 HydrophobicContact CE1-CD2 3.86Å; Y19-L148 HydrophobicContact CE1-CG 4.4Å; Y19-L148 HydrophobicContact CE2-CD2 3.51Å; Y19-L148 HydrophobicContact CE2-CG 3.69Å; Y19-L148 WeakPolarHBondContact OH-CD1 3.36Å; Y19-L148 WeakPolarHBondContact OH-CG 3.4Å; D112-L148 PolarHBondContact OD2-N 3.34Å; D112-L148 VanDerWaalsContact OD2-N 3.08Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 HydrophobicContact CB-CG 4.43Å; L148-Q150 PolarHBondContact O-N 2.99Å
149C89Confident93.8Very high88 Ų8868.6 Ų68.660%0.59536%0.36SS*.  trans55.642.6179.7-63.60000113.1S147 V154S147-C149 PolarHBondContact O-N 3.05Å; S147-C149 PolarHBondContact OG-N 3.11Å; C149-V154 HydrophobicContact CB-CG2 4.14Å
150Q91.8Very high93.8Very high72 Ų7265.4 Ų65.434%0.33634%0.336SS..  trans-60.4141.8168.1-64.7179.4-58.800109.4L148 F152 V153 V154L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 HydrophobicContact CB-CG 4.43Å; L148-Q150 PolarHBondContact O-N 2.99Å; Q150-F152 VanDerWaalsContact C-N 3.26Å; Q150-F152 HydrophobicContact CB-CD1 4.37Å; Q150-F152 HydrophobicContact CB-CD2 4.3Å; Q150-F152 HydrophobicContact CB-CE1 3.91Å; Q150-F152 HydrophobicContact CB-CE2 3.81Å; Q150-F152 HydrophobicContact CB-CZ 3.64Å; Q150-F152 HydrophobicContact CG-CZ 4.09Å; Q150-F152 PolarHBondContact O-N 2.96Å; Q150-F152 VanDerWaalsContact O-N 3.14Å; Q150-V153 HydrophobicContact CB-CG2 4.23Å; Q150-V153 WeakPolarHBondContact O-CB 2.95Å; Q150-V153 PolarHBondContact O-N 3.15Å; Q150-V154 PolarHBondContact O-N 2.87Å; Q150-V154 VanDerWaalsContact O-N 3.13Å
151E94.5Very high93.8Very high140 Ų14062.8 Ų62.865%0.65431%0.311SS*.Hα-helixtrans-53-42.4-171-174.4-178.8170.100113V153 V154 R155E151-V153 VanDerWaalsContact C-N 3.35Å; E151-V153 PolarHBondContact O-N 3.2Å; E151-V154 PolarHBondContact O-N 2.9Å; E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 PolarHBondContact O-N 2.64Å; E151-R155 IonicContact OE1-CZ 3.5Å; E151-R155 IonicContact OE1-NH2 3.57Å; E151-R155 PolarHBondContact OE1-NH2 2.69Å
152F92.6Very high93.5Very high38 Ų3864.3 Ų64.317%0.16733%0.327CS..Hα-helixtrans-67.7-30.9178.852-106.3000113.4M115 E118 Q150 A156M115-F152 HydrophobicContact CG-CD2 3.61Å; M115-F152 HydrophobicContact CG-CE2 3.81Å; M115-F152 WeakPolarHBondContact O-CE2 3.44Å; M115-F152 HydrophobicContact SD-CB 4.39Å; M115-F152 HydrophobicContact SD-CD2 3.51Å; M115-F152 VanDerWaalsContact SD-CD2 3.51Å; M115-F152 HydrophobicContact SD-CE2 4.27Å; M115-F152 HydrophobicContact SD-CG 4.39Å; E118-F152 HydrophobicContact CB-CB 3.99Å; E118-F152 HydrophobicContact CB-CD1 4.28Å; E118-F152 HydrophobicContact CB-CG 4.15Å; E118-F152 HydrophobicContact CG-CB 4.12Å; Q150-F152 VanDerWaalsContact C-N 3.26Å; Q150-F152 HydrophobicContact CB-CD1 4.37Å; Q150-F152 HydrophobicContact CB-CD2 4.3Å; Q150-F152 HydrophobicContact CB-CE1 3.91Å; Q150-F152 HydrophobicContact CB-CE2 3.81Å; Q150-F152 HydrophobicContact CB-CZ 3.64Å; Q150-F152 HydrophobicContact CG-CZ 4.09Å; Q150-F152 PolarHBondContact O-N 2.96Å; Q150-F152 VanDerWaalsContact O-N 3.14Å; F152-A156 WeakPolarHBondContact O-CB 3.1Å; F152-A156 PolarHBondContact O-N 2.96Å
153V93Very high92.6Very high6 Ų664 Ų644%0.03634%0.338CS..Hα-helixtrans-69.1-44.3175.1177.20000109.5L111 M115 Q150 E151 A156 W157L111-V153 HydrophobicContact CB-CG1 3.85Å; L111-V153 HydrophobicContact CD1-CG1 3.95Å; M115-V153 HydrophobicContact SD-CG2 4.31Å; Q150-V153 HydrophobicContact CB-CG2 4.23Å; Q150-V153 WeakPolarHBondContact O-CB 2.95Å; Q150-V153 PolarHBondContact O-N 3.15Å; E151-V153 VanDerWaalsContact C-N 3.35Å; E151-V153 PolarHBondContact O-N 3.2Å; V153-A156 PolarHBondContact O-N 2.77Å; V153-W157 PolarHBondContact O-N 3.17Å
154V94Very high90.8Very high61 Ų6168.2 Ų68.237%0.3740%0.395SS..Hα-helixtrans-64.8-42.3177.6179.80000110.8C149 Q150 E151 W157 L158C149-V154 HydrophobicContact CB-CG2 4.14Å; Q150-V154 PolarHBondContact O-N 2.87Å; Q150-V154 VanDerWaalsContact O-N 3.13Å; E151-V154 PolarHBondContact O-N 2.9Å; V154-W157 WeakPolarHBondContact O-CB 3.22Å; V154-W157 PolarHBondContact O-N 2.68Å; V154-L158 HydrophobicContact CG1-CD1 4.03Å; V154-L158 HydrophobicContact CG1-CG 4.45Å; V154-L158 WeakPolarHBondContact O-CG 3.13Å; V154-L158 PolarHBondContact O-N 3.4Å
155R94.8Very high90.6Very high104 Ų10470.1 Ų70.139%0.39241%0.407SS..Hα-helixtrans-62.1-48176.7-171.5177.4-621611.2111.7E151 W157 L158 D159E151-R155 WeakPolarHBondContact O-CB 3.48Å; E151-R155 PolarHBondContact O-N 2.64Å; E151-R155 IonicContact OE1-CZ 3.5Å; E151-R155 IonicContact OE1-NH2 3.57Å; E151-R155 PolarHBondContact OE1-NH2 2.69Å; R155-W157 PolarHBondContact O-N 3.35Å; R155-L158 PolarHBondContact O-N 3.34Å; R155-L158 VanDerWaalsContact O-N 3.11Å; R155-D159 WeakPolarHBondContact O-CB 3.37Å; R155-D159 VanDerWaalsContact O-CG 3.23Å; R155-D159 PolarHBondContact O-N 3.33Å
156A94.3Very high90.4Very high4 Ų471.1 Ų71.13%0.03341%0.412CS..Hα-helixtrans-57.5-40.1176.200000112.1M115 V126 F127 F130 F152 V153 F160M115-A156 HydrophobicContact CE-CB 3.97Å; M115-A156 HydrophobicContact SD-CB 4.33Å; V126-A156 HydrophobicContact CG1-CB 4.17Å; F127-A156 HydrophobicContact CE2-CB 4.2Å; F130-A156 HydrophobicContact CE2-CB 4.47Å; F130-A156 WeakPolarHBondContact CE2-O 3.44Å; F152-A156 WeakPolarHBondContact O-CB 3.1Å; F152-A156 PolarHBondContact O-N 2.96Å; V153-A156 PolarHBondContact O-N 2.77Å; A156-F160 PolarHBondContact O-N 2.58Å
157W94Very high90.2Very high103 Ų10373.5 Ų73.539%0.3943%0.427SS..Hα-helixtrans-63.8-46175.2-173.393.9000112.2F130 V153 V154 R155 F160 F161F130-W157 HydrophobicContact CZ-CB 4.13Å; F130-W157 HydrophobicContact CZ-CG 4.5Å; V153-W157 PolarHBondContact O-N 3.17Å; V154-W157 WeakPolarHBondContact O-CB 3.22Å; V154-W157 PolarHBondContact O-N 2.68Å; R155-W157 PolarHBondContact O-N 3.35Å; W157-F160 PolarHBondContact O-N 2.97Å; W157-F161 AromaticContact CD1-CD2 3.65Å; W157-F161 AromaticContact CD1-CE2 3.85Å; W157-F161 HydrophobicContact CD2-CD2 4.04Å; W157-F161 AromaticContact CE2-CD2 3.72Å; W157-F161 AromaticContact CG-CD2 4Å; W157-F161 HydrophobicContact CG-CD2 4Å; W157-F161 HydrophobicContact CH2-CB 4.35Å; W157-F161 HydrophobicContact CZ2-CB 4.24Å; W157-F161 HydrophobicContact CZ2-CD2 4.31Å; W157-F161 HydrophobicContact CZ2-CG 4.45Å; W157-F161 AromaticContact NE1-CD2 3.47Å; W157-F161 AromaticContact NE1-CE2 3.76Å; W157-F161 WeakPolarHBondContact O-CD2 3.22Å; W157-F161 PolarHBondContact O-N 2.78Å
158L94.9Very high90.2Very high91 Ų9176.2 Ų76.248%0.47644%0.441SS..Hα-helixtrans-65-40.9178.5-73.8169.5000112.3V154 R155 F160 G162V154-L158 HydrophobicContact CG1-CD1 4.03Å; V154-L158 HydrophobicContact CG1-CG 4.45Å; V154-L158 WeakPolarHBondContact O-CG 3.13Å; V154-L158 PolarHBondContact O-N 3.4Å; R155-L158 PolarHBondContact O-N 3.34Å; R155-L158 VanDerWaalsContact O-N 3.11Å; L158-F160 VanDerWaalsContact C-N 3.3Å; L158-F160 PolarHBondContact O-N 2.87Å; L158-G162 WeakPolarHBondContact O-CA 3.33Å; L158-G162 PolarHBondContact O-N 3.36Å
159D94.6Very high90.2Very high84 Ų8475.1 Ų75.145%0.44944%0.437SS..Hα-helixtrans-64.8-37.2-179.5-69-17.6000111.3F127 R155 T163F127-D159 HydrophobicContact CZ-CB 4.07Å; R155-D159 WeakPolarHBondContact O-CB 3.37Å; R155-D159 VanDerWaalsContact O-CG 3.23Å; R155-D159 PolarHBondContact O-N 3.33Å; D159-T163 WeakPolarHBondContact O-CG2 2.82Å; D159-T163 PolarHBondContact O-OG1 3.02Å
160F94.5Very high90.3Very high53 Ų5374.3 Ų74.323%0.23243%0.427CS..Hα-helixtrans-78.3-52.2178.4-169.3-82.2000112.6F127 F130 A156 W157 L158F127-F160 AromaticContact CD1-CD2 3.88Å; F127-F160 HydrophobicContact CD1-CD2 3.88Å; F127-F160 HydrophobicContact CE1-CD2 4.18Å; F127-F160 HydrophobicContact CG-CD2 4.19Å; F127-F160 HydrophobicContact CZ-CB 4.41Å; F130-F160 HydrophobicContact CB-CD1 3.66Å; F130-F160 HydrophobicContact CB-CD2 3.76Å; F130-F160 HydrophobicContact CB-CE1 3.63Å; F130-F160 HydrophobicContact CB-CE2 3.72Å; F130-F160 HydrophobicContact CB-CG 3.74Å; F130-F160 HydrophobicContact CB-CZ 3.65Å; F130-F160 HydrophobicContact CD2-CB 3.58Å; F130-F160 HydrophobicContact CD2-CD1 4.15Å; F130-F160 AromaticContact CD2-CD2 3.95Å; F130-F160 HydrophobicContact CD2-CD2 3.95Å; F130-F160 AromaticContact CD2-CG 3.62Å; F130-F160 HydrophobicContact CD2-CG 3.62Å; F130-F160 HydrophobicContact CE2-CB 4.09Å; F130-F160 HydrophobicContact CG-CB 4.44Å; F130-F160 HydrophobicContact CG-CD1 4.19Å; F130-F160 HydrophobicContact CG-CD2 4.37Å; F130-F160 HydrophobicContact CG-CG 4.07Å; A156-F160 PolarHBondContact O-N 2.58Å; W157-F160 PolarHBondContact O-N 2.97Å; L158-F160 VanDerWaalsContact C-N 3.3Å; L158-F160 PolarHBondContact O-N 2.87Å
161F92.8Very high90.2Very high58 Ų5874.4 Ų74.425%0.25443%0.433SS..Hα-helixtrans-93.7-15-171.5-67.7-70.9000114.4F130 Y143 W157F130-F161 HydrophobicContact CB-CE2 4.18Å; F130-F161 HydrophobicContact CB-CZ 4.07Å; F130-F161 AromaticContact CD1-CE2 3.64Å; F130-F161 HydrophobicContact CD1-CE2 3.64Å; F130-F161 HydrophobicContact CD1-CZ 4.08Å; F130-F161 HydrophobicContact CD2-CE2 4.18Å; F130-F161 AromaticContact CE1-CE2 3.94Å; F130-F161 HydrophobicContact CE1-CE2 3.94Å; F130-F161 HydrophobicContact CE2-CE2 4.43Å; F130-F161 AromaticContact CG-CE2 3.77Å; F130-F161 HydrophobicContact CG-CE2 3.77Å; F130-F161 HydrophobicContact CG-CZ 4.13Å; F130-F161 HydrophobicContact CZ-CE2 4.33Å; Y143-F161 HydrophobicContact CD1-CE2 4.13Å; Y143-F161 HydrophobicContact CD1-CZ 4.08Å; Y143-F161 HydrophobicContact CE1-CE2 4.06Å; Y143-F161 HydrophobicContact CE1-CZ 4.27Å; W157-F161 AromaticContact CD1-CD2 3.65Å; W157-F161 AromaticContact CD1-CE2 3.85Å; W157-F161 HydrophobicContact CD2-CD2 4.04Å; W157-F161 AromaticContact CE2-CD2 3.72Å; W157-F161 AromaticContact CG-CD2 4Å; W157-F161 HydrophobicContact CG-CD2 4Å; W157-F161 HydrophobicContact CH2-CB 4.35Å; W157-F161 HydrophobicContact CZ2-CB 4.24Å; W157-F161 HydrophobicContact CZ2-CD2 4.31Å; W157-F161 HydrophobicContact CZ2-CG 4.45Å; W157-F161 AromaticContact NE1-CD2 3.47Å; W157-F161 AromaticContact NE1-CE2 3.76Å; W157-F161 WeakPolarHBondContact O-CD2 3.22Å; W157-F161 PolarHBondContact O-N 2.78Å
162G89.6Confident89.9Confident54 Ų5469.4 Ų69.456%0.55742%0.416SS*.SBendtrans-91.1-7.4-179.300000114.6L158L158-G162 WeakPolarHBondContact O-CA 3.33Å; L158-G162 PolarHBondContact O-N 3.36Å
163T80Confident89.7Confident115 Ų11572 Ų7271%0.70644%0.437SS*.  trans-102.6-0.3-176.856.30000114.2D159D159-T163 WeakPolarHBondContact O-CG2 2.82Å; D159-T163 PolarHBondContact O-OG1 3.02Å
164G59.7Low89.4Confident131 Ų13178 Ų78100%1.35147%0.474SS*.  trans-91.70172.700000112.8

Retrieved 164 of 164 residues in 139.7 ms (Link to these results)

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