A0A087XGP0_POEFO Loading...

SH2 domain containing 1A duplicate b

AlphaFold DB , UniProt , Accession A0A087XGP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.2Low87.1Confident110 Ų11062.5 Ų62.554%0.54234%0.339SS..  0161.30-162.4173.8-171.600108.7L4 Y7 F41 W64 I80M1-L4 HydrophobicContact CE-CD1 4.24Å; M1-Y7 HydrophobicContact CE-CD2 4.13Å; M1-Y7 HydrophobicContact CE-CE2 4.28Å; M1-Y7 HydrophobicContact SD-CD1 4.12Å; M1-Y7 HydrophobicContact SD-CD2 3.82Å; M1-Y7 HydrophobicContact SD-CE1 4.03Å; M1-Y7 HydrophobicContact SD-CE2 3.72Å; M1-Y7 HydrophobicContact SD-CG 3.99Å; M1-F41 HydrophobicContact CE-CD1 3.52Å; M1-F41 HydrophobicContact CE-CD2 4.26Å; M1-F41 HydrophobicContact CE-CE1 3.41Å; M1-F41 VanDerWaalsContact CE-CE1 3.41Å; M1-F41 HydrophobicContact CE-CE2 4.18Å; M1-F41 HydrophobicContact CE-CG 3.95Å; M1-F41 HydrophobicContact CE-CZ 3.77Å; M1-F41 HydrophobicContact SD-CD1 4.18Å; M1-F41 HydrophobicContact SD-CE1 3.54Å; M1-F41 VanDerWaalsContact SD-CE1 3.54Å; M1-F41 HydrophobicContact SD-CZ 3.93Å; M1-W64 HydrophobicContact CE-CH2 4.32Å; M1-I80 HydrophobicContact CE-CD1 3.75Å
2E66.8Low87.8Confident58 Ų5860.1 Ų60.127%0.27134%0.339SS..  trans-63.8147.1166-73.4-179.4-128.900110L4 H79 I80 K81E2-L4 PolarHBondContact O-N 2.96Å; E2-H79 WeakPolarHBondContact OE1-CA 3.42Å; E2-H79 VanDerWaalsContact OE1-CB 3.3Å; E2-H79 WeakPolarHBondContact OE1-CB 3.5Å; E2-H79 IonicContact OE1-CG 3.42Å; E2-H79 IonicContact OE1-ND1 2.82Å; E2-H79 PolarHBondContact OE1-ND1 3.12Å; E2-H79 IonicContact OE2-CG 3.98Å; E2-H79 IonicContact OE2-ND1 3.73Å; E2-I80 HydrophobicContact CB-CG2 4.3Å; E2-K81 WeakPolarHBondContact OE2-CD 3.27Å; E2-K81 WeakPolarHBondContact OE2-CE 3.47Å; E2-K81 IonicContact OE2-NZ 2.76Å; E2-K81 PolarHBondContact OE2-NZ 3.04Å
3N82.1Confident88.4Confident160 Ų16063.7 Ų63.786%0.85635%0.349SS*.  trans-73.392.1-177.5-172.52.3000110.8
4L89.1Confident89Confident22 Ų2270.7 Ų70.712%0.11538%0.378CS..  trans-99118.8175.7-67.4179.7000109.9M1 E2 V6 Y7 I80 K81 I84M1-L4 HydrophobicContact CE-CD1 4.24Å; E2-L4 PolarHBondContact O-N 2.96Å; L4-V6 HydrophobicContact CB-CG2 4.24Å; L4-V6 PolarHBondContact O-N 3.28Å; L4-Y7 WeakPolarHBondContact O-CB 3.3Å; L4-Y7 PolarHBondContact O-N 3.25Å; L4-I80 HydrophobicContact CD1-CD1 3.91Å; L4-I80 HydrophobicContact CD1-CG1 4.11Å; L4-I80 HydrophobicContact CD1-CG2 3.83Å; L4-I80 HydrophobicContact CD2-CG2 4.44Å; L4-I80 HydrophobicContact CG-CG2 4.32Å; L4-K81 HydrophobicContact CD2-CB 4.2Å; L4-I84 HydrophobicContact CD1-CD1 3.88Å; L4-I84 HydrophobicContact CD2-CD1 4.04Å
5T92.9Very high89.5Confident97 Ų9769.7 Ų69.760%0.59537%0.37SS*.THydrogen-bonded Turntrans-63.3-23.8174.653.40000113.4T103 A104T5-T103 CarbonylContact O-C 3.57Å; T5-T103 VanDerWaalsContact O-CA 3.25Å; T5-T103 WeakPolarHBondContact O-CA 3.22Å; T5-A104 PolarHBondContact O-N 2.76Å
6V95.3Very high89.9Confident5 Ų565.3 Ų65.33%0.0335%0.347CS..THydrogen-bonded Turntrans-85.90.2174.7-63.80000114.1L4 H8 Y29 V31 I84 P101L4-V6 HydrophobicContact CB-CG2 4.24Å; L4-V6 PolarHBondContact O-N 3.28Å; V6-H8 PolarHBondContact O-CD2 2.99Å; V6-Y29 HydrophobicContact CB-CE2 4.4Å; V6-Y29 HydrophobicContact CG1-CE2 3.99Å; V6-Y29 HydrophobicContact CG2-CE2 4.26Å; V6-V31 HydrophobicContact CG2-CG2 4.13Å; V6-V31 PolarHBondContact O-N 2.9Å; V6-I84 HydrophobicContact CG2-CD1 4.33Å; V6-P101 HydrophobicContact CG1-CB 3.32Å
7Y95.5Very high90.4Very high67 Ų6765.1 Ų65.126%0.26334%0.343SS..BIsolated β-bridgetrans-88.1119.8177.2173.3-111.3000111M1 L4 V31 D33 F41 A104M1-Y7 HydrophobicContact CE-CD2 4.13Å; M1-Y7 HydrophobicContact CE-CE2 4.28Å; M1-Y7 HydrophobicContact SD-CD1 4.12Å; M1-Y7 HydrophobicContact SD-CD2 3.82Å; M1-Y7 HydrophobicContact SD-CE1 4.03Å; M1-Y7 HydrophobicContact SD-CE2 3.72Å; M1-Y7 HydrophobicContact SD-CG 3.99Å; L4-Y7 WeakPolarHBondContact O-CB 3.3Å; L4-Y7 PolarHBondContact O-N 3.25Å; Y7-V31 CarbonylContact C-O 3.6Å; Y7-V31 WeakPolarHBondContact CA-O 3.48Å; Y7-V31 HydrophobicContact CD2-CG1 4.25Å; Y7-D33 WeakPolarHBondContact CE2-OD1 3.14Å; Y7-D33 PolarHBondContact OH-OD1 2.7Å; Y7-D33 VanDerWaalsContact OH-OD1 3.06Å; Y7-D33 PolarHBondContact OH-OD2 2.76Å; Y7-F41 HydrophobicContact CD2-CD1 4.49Å; Y7-F41 AromaticContact CE2-CD1 3.86Å; Y7-F41 HydrophobicContact CE2-CD1 3.86Å; Y7-F41 AromaticContact CE2-CE1 3.79Å; Y7-F41 HydrophobicContact CE2-CE1 3.79Å; Y7-A104 WeakPolarHBondContact O-CB 3.48Å
8H94.7Very high90.7Very high23 Ų2367.4 Ų67.411%0.10635%0.347CS..  trans-101.4-1.3-173.4-70.7-149000113V6 I11 R19 V31 V102 T103 A104V6-H8 PolarHBondContact O-CD2 2.99Å; H8-I11 HydrophobicContact CB-CD1 3.53Å; H8-I11 HydrophobicContact CB-CG1 3.84Å; H8-I11 HydrophobicContact CB-CG2 4.49Å; H8-R19 WeakPolarHBondContact CE1-CD 3.23Å; H8-R19 VanDerWaalsContact ND1-CD 3.35Å; H8-R19 WeakPolarHBondContact ND1-CD 3.46Å; H8-R19 PolarHBondContact ND1-NH1 3Å; H8-V31 PolarHBondContact N-O 3.3Å; H8-V102 WeakPolarHBondContact CE1-CG1 3.34Å; H8-V102 CovalentContact NE2-O 1.81Å; H8-V102 PolarHBondContact NE2-O 2.9Å; H8-T103 WeakPolarHBondContact NE2-CA 3.41Å; H8-T103 PolarHBondContact NE2-N 2.71Å; H8-T103 PolarHBondContact NE2-O 2.75Å; H8-A104 PolarHBondContact NE2-N 2.81Å
9G93.6Very high91.1Very high9 Ų966.6 Ų66.69%0.09334%0.339CS..  trans75.9-154.3-176.600000113.7I11 R32 D33G9-I11 PolarHBondContact O-N 3.38Å; G9-R32 WeakPolarHBondContact O-CA 3.23Å; G9-D33 VanDerWaalsContact C-OD2 3.27Å; G9-D33 PolarHBondContact O-N 3.35Å; G9-D33 VanDerWaalsContact O-N 3.07Å
10P93.9Very high91.4Very high116 Ų11663.3 Ų63.375%0.75332%0.322SS*.SBendtrans-79.763.3-17932.7-35.9000111.2D33P10-D33 WeakPolarHBondContact CA-OD2 3.04Å; P10-D33 HydrophobicContact CB-CB 4.32Å; P10-D33 WeakPolarHBondContact CB-OD2 3.46Å; P10-D33 VanDerWaalsContact CD-OD2 3.3Å; P10-D33 WeakPolarHBondContact CD-OD2 3.37Å
11I95.3Very high91.7Very high21 Ų2162.6 Ų62.611%0.10833%0.331CS..  trans-87.6137165.859.8163.2000110.1H8 G9 E15 L30 R32H8-I11 HydrophobicContact CB-CD1 3.53Å; H8-I11 HydrophobicContact CB-CG1 3.84Å; H8-I11 HydrophobicContact CB-CG2 4.49Å; G9-I11 PolarHBondContact O-N 3.38Å; I11-E15 HydrophobicContact CB-CB 4.27Å; I11-E15 HydrophobicContact CB-CG 3.85Å; I11-E15 HydrophobicContact CD1-CG 4.24Å; I11-E15 HydrophobicContact CG2-CG 4.01Å; I11-L30 HydrophobicContact CD1-CD1 4.36Å; I11-R32 HydrophobicContact CD1-CB 4.29Å; I11-R32 HydrophobicContact CG1-CB 3.59Å; I11-R32 HydrophobicContact CG1-CG 4.47Å; I11-R32 WeakPolarHBondContact O-CD 3.41Å; I11-R32 PolarHBondContact O-NH1 3.36Å
12G95.3Very high93.5Very high33 Ų3364.2 Ų64.234%0.3434%0.337SS..  trans-62.6162177.800000113.3E14 E15 G16 D35G12-E14 VanDerWaalsContact C-N 3.33Å; G12-E14 PolarHBondContact O-N 3.24Å; G12-E15 PolarHBondContact O-N 2.98Å; G12-G16 PolarHBondContact O-N 2.91Å; G12-D35 WeakPolarHBondContact CA-OD1 3.16Å
13K95.6Very high94.9Very high107 Ų10763.7 Ų63.747%0.46534%0.336SS..Hα-helixtrans-46.3-54.6174.4-177.8-174.9178.2-850112.5E15 G16 E17K13-E15 PolarHBondContact O-N 3.25Å; K13-G16 WeakPolarHBondContact O-CA 3.49Å; K13-G16 PolarHBondContact O-N 3.02Å; K13-G16 VanDerWaalsContact O-N 3.12Å; K13-E17 VanDerWaalsContact CE-OE1 3.28Å; K13-E17 WeakPolarHBondContact CE-OE1 3.45Å; K13-E17 HydrophobicContact CG-CG 4.44Å; K13-E17 IonicContact NZ-OE1 3.3Å; K13-E17 PolarHBondContact NZ-OE1 2.76Å; K13-E17 IonicContact NZ-OE2 3.95Å; K13-E17 PolarHBondContact NZ-OE2 3.28Å; K13-E17 WeakPolarHBondContact O-CG 3.37Å; K13-E17 PolarHBondContact O-N 2.99Å
14E96.5Very high95.6Very high162 Ų16258.4 Ų58.476%0.75732%0.32SS*.Hα-helixtrans-59-43.7-177.6-176.8-177.1179.800112.4G12 G16 E17 R18G12-E14 VanDerWaalsContact C-N 3.33Å; G12-E14 PolarHBondContact O-N 3.24Å; E14-G16 VanDerWaalsContact C-N 3.31Å; E14-G16 PolarHBondContact O-N 3.05Å; E14-E17 PolarHBondContact O-N 3.23Å; E14-R18 VanDerWaalsContact O-CB 3.27Å; E14-R18 WeakPolarHBondContact O-CB 3.38Å; E14-R18 PolarHBondContact O-N 3.41Å
15E96.3Very high96Very high55 Ų5562.7 Ų62.726%0.25733%0.334SS..Hα-helixtrans-66.9-32.8177.617461.2-176.500112.1I11 G12 K13 R18 R19I11-E15 HydrophobicContact CB-CB 4.27Å; I11-E15 HydrophobicContact CB-CG 3.85Å; I11-E15 HydrophobicContact CD1-CG 4.24Å; I11-E15 HydrophobicContact CG2-CG 4.01Å; G12-E15 PolarHBondContact O-N 2.98Å; K13-E15 PolarHBondContact O-N 3.25Å; E15-R18 IonicContact OE1-CZ 3.92Å; E15-R18 IonicContact OE1-NH2 2.86Å; E15-R18 PolarHBondContact OE1-NH2 2.86Å; E15-R18 IonicContact OE2-CZ 3.19Å; E15-R18 IonicContact OE2-NE 2.72Å; E15-R18 PolarHBondContact OE2-NE 2.87Å; E15-R18 IonicContact OE2-NH2 2.85Å; E15-R18 PolarHBondContact OE2-NH2 2.9Å; E15-R19 VanDerWaalsContact O-CG 3.27Å; E15-R19 WeakPolarHBondContact O-CG 3.29Å; E15-R19 PolarHBondContact O-N 3.29Å; E15-R19 VanDerWaalsContact O-N 3.14Å; E15-R19 IonicContact OE1-CZ 3.14Å; E15-R19 IonicContact OE1-NE 2.74Å; E15-R19 PolarHBondContact OE1-NE 2.95Å; E15-R19 IonicContact OE1-NH2 2.7Å; E15-R19 PolarHBondContact OE1-NH2 3.31Å
16G96.8Very high96.2Very high0 Ų060.9 Ų60.90%032%0.321CS..Hα-helixtrans-66.2-47.1170.100000112.2G12 K13 E14 R19 L20G12-G16 PolarHBondContact O-N 2.91Å; K13-G16 WeakPolarHBondContact O-CA 3.49Å; K13-G16 PolarHBondContact O-N 3.02Å; K13-G16 VanDerWaalsContact O-N 3.12Å; E14-G16 VanDerWaalsContact C-N 3.31Å; E14-G16 PolarHBondContact O-N 3.05Å; G16-R19 PolarHBondContact O-N 3.27Å; G16-L20 WeakPolarHBondContact O-CG 3.5Å; G16-L20 PolarHBondContact O-N 3.49Å; G16-L20 VanDerWaalsContact O-N 3.08Å
17E97.4Very high96.3Very high61 Ų6160.7 Ų60.729%0.28532%0.32SS..Hα-helixtrans-62.3-43.2177.9-70.1176.9142.900111.5K13 E14 R19 L20 G21 V51K13-E17 VanDerWaalsContact CE-OE1 3.28Å; K13-E17 WeakPolarHBondContact CE-OE1 3.45Å; K13-E17 HydrophobicContact CG-CG 4.44Å; K13-E17 IonicContact NZ-OE1 3.3Å; K13-E17 PolarHBondContact NZ-OE1 2.76Å; K13-E17 IonicContact NZ-OE2 3.95Å; K13-E17 PolarHBondContact NZ-OE2 3.28Å; K13-E17 WeakPolarHBondContact O-CG 3.37Å; K13-E17 PolarHBondContact O-N 2.99Å; E14-E17 PolarHBondContact O-N 3.23Å; E17-R19 PolarHBondContact O-N 2.72Å; E17-L20 PolarHBondContact O-N 2.92Å; E17-G21 PolarHBondContact O-N 2.96Å; E17-V51 HydrophobicContact CB-CG2 4.38Å; E17-V51 HydrophobicContact CG-CB 3.93Å; E17-V51 HydrophobicContact CG-CG1 4.06Å; E17-V51 HydrophobicContact CG-CG2 4.05Å
18R97.4Very high96.5Very high108 Ų10857.5 Ų57.541%0.40831%0.307SS..Hα-helixtrans-60.7-43.1176-167.1-167.565.266.26.2112.4E14 E15 Q22E14-R18 VanDerWaalsContact O-CB 3.27Å; E14-R18 WeakPolarHBondContact O-CB 3.38Å; E14-R18 PolarHBondContact O-N 3.41Å; E15-R18 IonicContact OE1-CZ 3.92Å; E15-R18 IonicContact OE1-NH2 2.86Å; E15-R18 PolarHBondContact OE1-NH2 2.86Å; E15-R18 IonicContact OE2-CZ 3.19Å; E15-R18 IonicContact OE2-NE 2.72Å; E15-R18 PolarHBondContact OE2-NE 2.87Å; E15-R18 IonicContact OE2-NH2 2.85Å; E15-R18 PolarHBondContact OE2-NH2 2.9Å; R18-Q22 WeakPolarHBondContact O-CG 3.45Å; R18-Q22 PolarHBondContact O-N 3.26Å
19R97.3Very high96.7Very high51 Ų5156.8 Ų56.819%0.19230%0.303CS..Hα-helixtrans-66.5-41.5177.2-74.6176.6-168.6-162.73112.4H8 E15 G16 E17 Q22 D23 L30H8-R19 WeakPolarHBondContact CE1-CD 3.23Å; H8-R19 VanDerWaalsContact ND1-CD 3.35Å; H8-R19 WeakPolarHBondContact ND1-CD 3.46Å; H8-R19 PolarHBondContact ND1-NH1 3Å; E15-R19 VanDerWaalsContact O-CG 3.27Å; E15-R19 WeakPolarHBondContact O-CG 3.29Å; E15-R19 PolarHBondContact O-N 3.29Å; E15-R19 VanDerWaalsContact O-N 3.14Å; E15-R19 IonicContact OE1-CZ 3.14Å; E15-R19 IonicContact OE1-NE 2.74Å; E15-R19 PolarHBondContact OE1-NE 2.95Å; E15-R19 IonicContact OE1-NH2 2.7Å; E15-R19 PolarHBondContact OE1-NH2 3.31Å; G16-R19 PolarHBondContact O-N 3.27Å; E17-R19 PolarHBondContact O-N 2.72Å; R19-Q22 PolarHBondContact O-N 3.15Å; R19-D23 PolarHBondContact O-N 2.88Å; R19-L30 HydrophobicContact CB-CD2 3.98Å
20L97.8Very high96.9Very high0 Ų056.3 Ų56.30%030%0.299CS..Hα-helixtrans-67.3-42.5176.7-66.9173.4000111.4G16 E17 Q22 D23 G24 C28 L30 C44 L46 V51 V102G16-L20 WeakPolarHBondContact O-CG 3.5Å; G16-L20 PolarHBondContact O-N 3.49Å; G16-L20 VanDerWaalsContact O-N 3.08Å; E17-L20 PolarHBondContact O-N 2.92Å; L20-Q22 VanDerWaalsContact C-N 3.29Å; L20-Q22 PolarHBondContact O-N 3.22Å; L20-D23 PolarHBondContact O-N 3.37Å; L20-D23 VanDerWaalsContact O-N 3.17Å; L20-G24 PolarHBondContact O-N 3.17Å; L20-C28 VanDerWaalsContact CD2-SG 3.6Å; L20-C28 PolarHBondContact O-SG 3.01Å; L20-L30 HydrophobicContact CD1-CD2 4.48Å; L20-L30 HydrophobicContact CD1-CG 4.36Å; L20-L30 HydrophobicContact CD2-CD2 4.02Å; L20-L30 HydrophobicContact CD2-CG 4.06Å; L20-L30 HydrophobicContact CG-CD2 3.9Å; L20-L30 HydrophobicContact CG-CG 4.18Å; L20-C44 HydrophobicContact CD1-CB 3.65Å; L20-L46 HydrophobicContact CB-CB 4.4Å; L20-V51 HydrophobicContact CB-CG2 4.17Å; L20-V51 HydrophobicContact CD1-CB 4.41Å; L20-V51 HydrophobicContact CD1-CG1 3.58Å; L20-V51 HydrophobicContact CD1-CG2 3.9Å; L20-V102 HydrophobicContact CD2-CG2 4.02Å
21G97.1Very high97Very high50 Ų5050.8 Ų50.852%0.51526%0.263SS..Hα-helixtrans-62.9-30.5174.400000114.1E17E17-G21 PolarHBondContact O-N 2.96Å
22Q96.4Very high97.1Very high143 Ų14350.1 Ų50.167%0.66826%0.259SS*.Hα-helixtrans-72.3-30.3172.9-81-174.7-34.600113.8R18 R19 L20R18-Q22 WeakPolarHBondContact O-CG 3.45Å; R18-Q22 PolarHBondContact O-N 3.26Å; R19-Q22 PolarHBondContact O-N 3.15Å; L20-Q22 VanDerWaalsContact C-N 3.29Å; L20-Q22 PolarHBondContact O-N 3.22Å
23D96.3Very high97.1Very high48 Ų4850.3 Ų50.326%0.25725%0.253SS..Hα-helixtrans-76.4-36.9171.6-172.3-78.8000111.2R19 L20 R25 C28 V102R19-D23 PolarHBondContact O-N 2.88Å; L20-D23 PolarHBondContact O-N 3.37Å; L20-D23 VanDerWaalsContact O-N 3.17Å; D23-R25 PolarHBondContact O-N 3.41Å; D23-R25 WeakPolarHBondContact OD1-CB 3.48Å; D23-R25 IonicContact OD1-CZ 3.44Å; D23-R25 IonicContact OD1-NE 2.76Å; D23-R25 PolarHBondContact OD1-NE 1.81Å; D23-R25 IonicContact OD1-NH2 3.28Å; D23-R25 PolarHBondContact OD1-NH2 3.26Å; D23-R25 IonicContact OD2-CZ 3.59Å; D23-R25 IonicContact OD2-NE 3.66Å; D23-R25 IonicContact OD2-NH2 2.7Å; D23-R25 PolarHBondContact OD2-NH2 3.4Å; D23-C28 HydrophobicContact CB-CB 4.15Å; D23-C28 WeakPolarHBondContact OD1-CB 3.49Å; D23-V102 HydrophobicContact CB-CG2 4Å
24G96.3Very high97Very high49 Ų4945.9 Ų45.951%0.50524%0.235SC..  trans71.2-8.8168.300000116.2L20L20-G24 PolarHBondContact O-N 3.17Å
25R98.1Very high96.7Very high112 Ų11243 Ų4342%0.42323%0.225SC..  trans-84.9130.5-178.3-62.7175.5-70.3-178.9-6.4112D23 G27 C28 Y100D23-R25 PolarHBondContact O-N 3.41Å; D23-R25 WeakPolarHBondContact OD1-CB 3.48Å; D23-R25 IonicContact OD1-CZ 3.44Å; D23-R25 IonicContact OD1-NE 2.76Å; D23-R25 PolarHBondContact OD1-NE 1.81Å; D23-R25 IonicContact OD1-NH2 3.28Å; D23-R25 PolarHBondContact OD1-NH2 3.26Å; D23-R25 IonicContact OD2-CZ 3.59Å; D23-R25 IonicContact OD2-NE 3.66Å; D23-R25 IonicContact OD2-NH2 2.7Å; D23-R25 PolarHBondContact OD2-NH2 3.4Å; R25-G27 PolarHBondContact O-N 3.17Å; R25-C28 HydrophobicContact CB-CB 4.41Å; R25-C28 VanDerWaalsContact O-CB 3.23Å; R25-C28 WeakPolarHBondContact O-CB 3.32Å; R25-C28 PolarHBondContact O-N 3.38Å; R25-C28 PolarHBondContact O-SG 3.02Å; R25-Y100 HydrophobicContact CB-CD2 3.54Å; R25-Y100 HydrophobicContact CB-CE2 3.79Å; R25-Y100 HydrophobicContact CB-CG 4.42Å; R25-Y100 HydrophobicContact CG-CD2 4.38Å; R25-Y100 HydrophobicContact CG-CE2 4.5Å
26D98.2Very high96.4Very high59 Ų5944.1 Ų44.132%0.31624%0.239SC..THydrogen-bonded Turntrans-55.8127.4168.2-94.516.9000110.9C47 K48 M96 Y100D26-C47 WeakPolarHBondContact OD1-CA 3.38Å; D26-K48 PolarHBondContact OD1-N 2.99Å; D26-K48 PolarHBondContact OD2-N 2.92Å; D26-M96 HydrophobicContact CB-CE 3.96Å; D26-M96 WeakPolarHBondContact OD2-CE 3.41Å; D26-Y100 VanDerWaalsContact O-CE2 3.3Å; D26-Y100 WeakPolarHBondContact O-CE2 3.3Å
27G97.6Very high96.2Very high0 Ų046.8 Ų46.80%026%0.255CS..THydrogen-bonded Turntrans84.86.4-172.700000114.7R25 L46 M96 P97 L99 Y100R25-G27 PolarHBondContact O-N 3.17Å; G27-L46 PolarHBondContact N-O 3.44Å; G27-M96 VanDerWaalsContact CA-CG 3.5Å; G27-P97 WeakPolarHBondContact CA-O 3.42Å; G27-L99 PolarHBondContact O-N 3.16Å; G27-Y100 PolarHBondContact O-N 2.93Å
28C98.3Very high95.8Very high0 Ų050.1 Ų50.10%028%0.282CS..EExtended strand (participates in β ladder)trans-68.6141165.382.80000110.6L20 D23 R25 V45 L46 Y100 V102L20-C28 VanDerWaalsContact CD2-SG 3.6Å; L20-C28 PolarHBondContact O-SG 3.01Å; D23-C28 HydrophobicContact CB-CB 4.15Å; D23-C28 WeakPolarHBondContact OD1-CB 3.49Å; R25-C28 HydrophobicContact CB-CB 4.41Å; R25-C28 VanDerWaalsContact O-CB 3.23Å; R25-C28 WeakPolarHBondContact O-CB 3.32Å; R25-C28 PolarHBondContact O-N 3.38Å; R25-C28 PolarHBondContact O-SG 3.02Å; C28-V45 CarbonylContact O-C 3.6Å; C28-V45 VanDerWaalsContact O-CA 3.31Å; C28-V45 WeakPolarHBondContact O-CA 3.47Å; C28-V45 WeakPolarHBondContact O-CG2 3.36Å; C28-L46 PolarHBondContact O-N 3.23Å; C28-L46 WeakPolarHBondContact SG-CB 3.3Å; C28-Y100 CarbonylContact C-O 3.54Å; C28-Y100 VanDerWaalsContact CA-O 3.24Å; C28-Y100 WeakPolarHBondContact CA-O 3.37Å; C28-V102 HydrophobicContact CB-CG2 4Å
29Y98.6Very high95.4Very high8 Ų847.8 Ų47.83%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-150.4153.5-170.874.2-82000114.7V6 L43 C44 I84 Q88 L98 Y100 P101 V102V6-Y29 HydrophobicContact CB-CE2 4.4Å; V6-Y29 HydrophobicContact CG1-CE2 3.99Å; V6-Y29 HydrophobicContact CG2-CE2 4.26Å; Y29-L43 HydrophobicContact CD2-CD1 4.02Å; Y29-C44 CarbonylContact C-O 3.56Å; Y29-C44 WeakPolarHBondContact CA-O 3.39Å; Y29-C44 WeakPolarHBondContact CB-O 3.4Å; Y29-I84 HydrophobicContact CE2-CG2 3.95Å; Y29-Q88 PolarHBondContact OH-NE2 3.27Å; Y29-L98 HydrophobicContact CD1-CB 3.71Å; Y29-L98 HydrophobicContact CD1-CD2 4.33Å; Y29-L98 HydrophobicContact CD2-CB 4.28Å; Y29-L98 HydrophobicContact CD2-CD1 4.09Å; Y29-L98 HydrophobicContact CD2-CD2 4.13Å; Y29-L98 HydrophobicContact CD2-CG 4.39Å; Y29-L98 HydrophobicContact CE1-CB 3.67Å; Y29-L98 HydrophobicContact CE2-CB 4.24Å; Y29-L98 HydrophobicContact CE2-CD1 4.07Å; Y29-L98 HydrophobicContact CG-CB 4.02Å; Y29-L98 HydrophobicContact CG-CD2 3.86Å; Y29-L98 HydrophobicContact CG-CG 4.33Å; Y29-Y100 VanDerWaalsContact CD1-O 3.3Å; Y29-Y100 WeakPolarHBondContact CD1-O 3.24Å; Y29-Y100 PolarHBondContact N-O 2.83Å; Y29-P101 HydrophobicContact CE1-CB 3.98Å; Y29-V102 PolarHBondContact O-N 2.96Å
30L97.7Very high95.3Very high0 Ų046.5 Ų46.50%029%0.289CS..EExtended strand (participates in β ladder)trans-144.2166.1173.662.581.3000111.5I11 R19 L20 R32 C44 V102I11-L30 HydrophobicContact CD1-CD1 4.36Å; R19-L30 HydrophobicContact CB-CD2 3.98Å; L20-L30 HydrophobicContact CD1-CD2 4.48Å; L20-L30 HydrophobicContact CD1-CG 4.36Å; L20-L30 HydrophobicContact CD2-CD2 4.02Å; L20-L30 HydrophobicContact CD2-CG 4.06Å; L20-L30 HydrophobicContact CG-CD2 3.9Å; L20-L30 HydrophobicContact CG-CG 4.18Å; L30-R32 HydrophobicContact CD1-CB 4.25Å; L30-R32 HydrophobicContact CD1-CG 4.32Å; L30-C44 HydrophobicContact CD1-CB 4.08Å; L30-C44 HydrophobicContact CG-CB 4.43Å; L30-C44 PolarHBondContact N-O 2.87Å; L30-C44 PolarHBondContact O-N 2.99Å; L30-V102 HydrophobicContact CB-CB 4.47Å
31V97.1Very high95.2Very high0 Ų047.8 Ų47.80%030%0.295CS..EExtended strand (participates in β ladder)trans-120.7134.6171.7-175.60000109.1V6 Y7 H8 F41 C42 L43 I84V6-V31 HydrophobicContact CG2-CG2 4.13Å; V6-V31 PolarHBondContact O-N 2.9Å; Y7-V31 CarbonylContact C-O 3.6Å; Y7-V31 WeakPolarHBondContact CA-O 3.48Å; Y7-V31 HydrophobicContact CD2-CG1 4.25Å; H8-V31 PolarHBondContact N-O 3.3Å; V31-F41 HydrophobicContact CG1-CB 4.15Å; V31-C42 WeakPolarHBondContact CA-O 3.2Å; V31-L43 HydrophobicContact CG2-CD1 4.03Å; V31-I84 HydrophobicContact CG2-CD1 4.26Å
32R96.2Very high95.2Very high6 Ų645.6 Ų45.62%0.02327%0.272CS..EExtended strand (participates in β ladder)trans-136.7171177.765.4-173.4-161.584.92.6110.3G9 I11 L30 D35 F41 C42G9-R32 WeakPolarHBondContact O-CA 3.23Å; I11-R32 HydrophobicContact CD1-CB 4.29Å; I11-R32 HydrophobicContact CG1-CB 3.59Å; I11-R32 HydrophobicContact CG1-CG 4.47Å; I11-R32 WeakPolarHBondContact O-CD 3.41Å; I11-R32 PolarHBondContact O-NH1 3.36Å; L30-R32 HydrophobicContact CD1-CB 4.25Å; L30-R32 HydrophobicContact CD1-CG 4.32Å; R32-D35 IonicContact CZ-OD1 2.76Å; R32-D35 IonicContact CZ-OD2 2.97Å; R32-D35 VanDerWaalsContact CZ-OD2 3.3Å; R32-D35 IonicContact NH1-OD1 2.79Å; R32-D35 PolarHBondContact NH1-OD1 2.99Å; R32-D35 IonicContact NH1-OD2 3.8Å; R32-D35 PolarHBondContact NH1-OD2 3.16Å; R32-D35 IonicContact NH2-OD1 2.71Å; R32-D35 IonicContact NH2-OD2 2.68Å; R32-D35 PolarHBondContact NH2-OD2 3.29Å; R32-F41 CarbonylContact O-C 3.59Å; R32-F41 WeakPolarHBondContact O-CA 3.25Å; R32-C42 HydrophobicContact CG-CB 3.75Å; R32-C42 PolarHBondContact N-O 2.85Å; R32-C42 PolarHBondContact O-N 2.86Å
33D95.5Very high95.2Very high38 Ų3838.8 Ų38.820%0.20324%0.24CC..EExtended strand (participates in β ladder)trans-73.9158.1170.9-58.7-37.8000111.5Y7 G9 P10 F41Y7-D33 WeakPolarHBondContact CE2-OD1 3.14Å; Y7-D33 PolarHBondContact OH-OD1 2.7Å; Y7-D33 VanDerWaalsContact OH-OD1 3.06Å; Y7-D33 PolarHBondContact OH-OD2 2.76Å; G9-D33 VanDerWaalsContact C-OD2 3.27Å; G9-D33 PolarHBondContact O-N 3.35Å; G9-D33 VanDerWaalsContact O-N 3.07Å; P10-D33 WeakPolarHBondContact CA-OD2 3.04Å; P10-D33 HydrophobicContact CB-CB 4.32Å; P10-D33 WeakPolarHBondContact CB-OD2 3.46Å; P10-D33 VanDerWaalsContact CD-OD2 3.3Å; P10-D33 WeakPolarHBondContact CD-OD2 3.37Å; D33-F41 VanDerWaalsContact OD1-CD1 3.27Å; D33-F41 WeakPolarHBondContact OD1-CD1 3.3Å; D33-F41 WeakPolarHBondContact OD1-CE1 3.46Å
34S94.5Very high95.3Very high14 Ų1436.7 Ų36.710%0.09823%0.229CC..  trans-81121.7174175.70000111.3S36 V37 V40S34-S36 PolarHBondContact O-N 2.97Å; S34-S36 PolarHBondContact OG-N 3.07Å; S34-S36 PolarHBondContact OG-OG 3.27Å; S34-S36 VanDerWaalsContact OG-OG 3.13Å; S34-V37 WeakPolarHBondContact CB-O 3.43Å; S34-V37 PolarHBondContact OG-N 3.11Å; S34-V40 WeakPolarHBondContact CB-O 3.48Å; S34-V40 PolarHBondContact N-O 2.92Å
35D90.8Very high95.4Very high101 Ų10134.3 Ų34.354%0.5421%0.205SC..THydrogen-bonded Turntrans-59.8-14.6175.5-39.3-62.8000113.7G12 R32G12-D35 WeakPolarHBondContact CA-OD1 3.16Å; R32-D35 IonicContact CZ-OD1 2.76Å; R32-D35 IonicContact CZ-OD2 2.97Å; R32-D35 VanDerWaalsContact CZ-OD2 3.3Å; R32-D35 IonicContact NH1-OD1 2.79Å; R32-D35 PolarHBondContact NH1-OD1 2.99Å; R32-D35 IonicContact NH1-OD2 3.8Å; R32-D35 PolarHBondContact NH1-OD2 3.16Å; R32-D35 IonicContact NH2-OD1 2.71Å; R32-D35 IonicContact NH2-OD2 2.68Å; R32-D35 PolarHBondContact NH2-OD2 3.29Å
36S90.1Very high95.4Very high79 Ų7929.4 Ų29.455%0.55219%0.187SC*.THydrogen-bonded Turntrans-122.4-15.7-166.156.80000114.7S34 R55S34-S36 PolarHBondContact O-N 2.97Å; S34-S36 PolarHBondContact OG-N 3.07Å; S34-S36 PolarHBondContact OG-OG 3.27Å; S34-S36 VanDerWaalsContact OG-OG 3.13Å; S36-R55 PolarHBondContact OG-NH2 3.08Å
37V91.1Very high95.4Very high56 Ų5627 Ų2734%0.33918%0.175SC..SBendtrans-147.1107.2-174.2-172.30000109.8S34 V40S34-V37 WeakPolarHBondContact CB-O 3.43Å; S34-V37 PolarHBondContact OG-N 3.11Å; V37-V40 HydrophobicContact CB-CB 4.08Å; V37-V40 HydrophobicContact CB-CG2 4.02Å; V37-V40 HydrophobicContact CG1-CB 4.16Å; V37-V40 HydrophobicContact CG1-CG2 3.55Å; V37-V40 PolarHBondContact O-N 2.93Å
38P90.3Very high95.4Very high130 Ų13035 Ų3584%0.84421%0.209SC*.THydrogen-bonded Turntrans-55.1139.4177.2-2735.7000112.8V40P38-V40 PolarHBondContact O-N 2.82Å
39G89.2Confident95.2Very high60 Ų6038.1 Ų38.162%0.61924%0.241SC*.THydrogen-bonded Turntrans76.1-5.8179.700000115.8F41G39-F41 WeakPolarHBondContact O-CE2 3.44Å
40V94Very high95.1Very high24 Ų2445.5 Ų45.515%0.14527%0.27CS..  trans-93.4140.8169.5175.10000109.5S34 V37 P38 R55S34-V40 WeakPolarHBondContact CB-O 3.48Å; S34-V40 PolarHBondContact N-O 2.92Å; V37-V40 HydrophobicContact CB-CB 4.08Å; V37-V40 HydrophobicContact CB-CG2 4.02Å; V37-V40 HydrophobicContact CG1-CB 4.16Å; V37-V40 HydrophobicContact CG1-CG2 3.55Å; V37-V40 PolarHBondContact O-N 2.93Å; P38-V40 PolarHBondContact O-N 2.82Å; V40-R55 HydrophobicContact CG1-CB 3.96Å; V40-R55 HydrophobicContact CG1-CG 4.01Å
41F95.4Very high95.1Very high26 Ų2646.9 Ų46.911%0.11428%0.279CS..EExtended strand (participates in β ladder)trans-109.2153.2178.3-58.7-91.5000110.5M1 Y7 V31 R32 D33 G39 R55 L56 W64M1-F41 HydrophobicContact CE-CD1 3.52Å; M1-F41 HydrophobicContact CE-CD2 4.26Å; M1-F41 HydrophobicContact CE-CE1 3.41Å; M1-F41 VanDerWaalsContact CE-CE1 3.41Å; M1-F41 HydrophobicContact CE-CE2 4.18Å; M1-F41 HydrophobicContact CE-CG 3.95Å; M1-F41 HydrophobicContact CE-CZ 3.77Å; M1-F41 HydrophobicContact SD-CD1 4.18Å; M1-F41 HydrophobicContact SD-CE1 3.54Å; M1-F41 VanDerWaalsContact SD-CE1 3.54Å; M1-F41 HydrophobicContact SD-CZ 3.93Å; Y7-F41 HydrophobicContact CD2-CD1 4.49Å; Y7-F41 AromaticContact CE2-CD1 3.86Å; Y7-F41 HydrophobicContact CE2-CD1 3.86Å; Y7-F41 AromaticContact CE2-CE1 3.79Å; Y7-F41 HydrophobicContact CE2-CE1 3.79Å; V31-F41 HydrophobicContact CG1-CB 4.15Å; R32-F41 CarbonylContact O-C 3.59Å; R32-F41 WeakPolarHBondContact O-CA 3.25Å; D33-F41 VanDerWaalsContact OD1-CD1 3.27Å; D33-F41 WeakPolarHBondContact OD1-CD1 3.3Å; D33-F41 WeakPolarHBondContact OD1-CE1 3.46Å; G39-F41 WeakPolarHBondContact O-CE2 3.44Å; F41-R55 CarbonylContact O-C 3.54Å; F41-R55 WeakPolarHBondContact O-CA 3.5Å; F41-L56 HydrophobicContact CB-CB 4.35Å; F41-L56 PolarHBondContact N-O 3.35Å; F41-L56 PolarHBondContact O-N 3.35Å; F41-W64 AromaticContact CD2-CH2 3.95Å; F41-W64 HydrophobicContact CD2-CH2 3.95Å; F41-W64 AromaticContact CD2-CZ3 3.65Å; F41-W64 HydrophobicContact CD2-CZ3 3.65Å; F41-W64 AromaticContact CE2-CH2 3.68Å; F41-W64 HydrophobicContact CE2-CH2 3.68Å; F41-W64 AromaticContact CE2-CZ3 3.85Å; F41-W64 HydrophobicContact CE2-CZ3 3.85Å; F41-W64 HydrophobicContact CZ-CH2 4.47Å
42C97.1Very high95.2Very high5 Ų551.4 Ų51.43%0.03430%0.297CS..EExtended strand (participates in β ladder)trans-111.9113.3176.4-74.20000109.2V31 R32 T53V31-C42 WeakPolarHBondContact CA-O 3.2Å; R32-C42 HydrophobicContact CG-CB 3.75Å; R32-C42 PolarHBondContact N-O 2.85Å; R32-C42 PolarHBondContact O-N 2.86Å; C42-T53 HydrophobicContact CB-CG2 3.78Å
43L97.6Very high95.2Very high0 Ų054 Ų540%031%0.313CS..EExtended strand (participates in β ladder)trans-84.7113165.4168.165.2000108Y29 V31 T53 Y54 L56 F87 L98Y29-L43 HydrophobicContact CD2-CD1 4.02Å; V31-L43 HydrophobicContact CG2-CD1 4.03Å; L43-T53 CarbonylContact O-C 3.54Å; L43-T53 WeakPolarHBondContact O-CA 3.45Å; L43-Y54 PolarHBondContact N-O 2.85Å; L43-Y54 PolarHBondContact O-N 3.22Å; L43-L56 HydrophobicContact CB-CD1 3.93Å; L43-L56 HydrophobicContact CB-CD2 4.41Å; L43-L56 HydrophobicContact CB-CG 4.08Å; L43-F87 HydrophobicContact CD2-CD2 3.76Å; L43-F87 HydrophobicContact CD2-CE2 4.22Å; L43-L98 HydrophobicContact CD1-CD1 4.05Å; L43-L98 HydrophobicContact CD1-CD2 4.06Å; L43-L98 HydrophobicContact CD2-CD1 4.05Å; L43-L98 HydrophobicContact CD2-CD2 4.33Å; L43-L98 HydrophobicContact CG-CD2 4.48Å
44C98.1Very high95.2Very high3 Ų354.2 Ų54.22%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-108.2131.7-179.6-61.70000109.7L20 Y29 L30 V51 Y52 T53L20-C44 HydrophobicContact CD1-CB 3.65Å; Y29-C44 CarbonylContact C-O 3.56Å; Y29-C44 WeakPolarHBondContact CA-O 3.39Å; Y29-C44 WeakPolarHBondContact CB-O 3.4Å; L30-C44 HydrophobicContact CD1-CB 4.08Å; L30-C44 HydrophobicContact CG-CB 4.43Å; L30-C44 PolarHBondContact N-O 2.87Å; L30-C44 PolarHBondContact O-N 2.99Å; C44-V51 HydrophobicContact CB-CG1 3.86Å; C44-Y52 WeakPolarHBondContact CA-O 3.37Å; C44-T53 PolarHBondContact SG-OG1 2.92Å
45V98.4Very high95.3Very high0 Ų058 Ų580%032%0.324CS..EExtended strand (participates in β ladder)trans-134.6136.3178.661.20000111.2C28 V51 Y52 Y54 M96 L98C28-V45 CarbonylContact O-C 3.6Å; C28-V45 VanDerWaalsContact O-CA 3.31Å; C28-V45 WeakPolarHBondContact O-CA 3.47Å; C28-V45 WeakPolarHBondContact O-CG2 3.36Å; V45-V51 WeakPolarHBondContact O-CA 3.31Å; V45-Y52 PolarHBondContact N-O 2.86Å; V45-Y52 PolarHBondContact O-N 2.94Å; V45-Y54 HydrophobicContact CG1-CD2 4.44Å; V45-Y54 HydrophobicContact CG1-CE2 3.95Å; V45-M96 HydrophobicContact CG2-CB 4.3Å; V45-M96 HydrophobicContact CG2-CG 4.45Å; V45-L98 HydrophobicContact CB-CD2 4.03Å; V45-L98 HydrophobicContact CG2-CD2 4.05Å
46L98.5Very high95.6Very high9 Ų953.2 Ų53.25%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-81.9137.3176.6-171.466.7000111.6L20 G27 C28 V51L20-L46 HydrophobicContact CB-CB 4.4Å; G27-L46 PolarHBondContact N-O 3.44Å; C28-L46 PolarHBondContact O-N 3.23Å; C28-L46 WeakPolarHBondContact SG-CB 3.3Å; L46-V51 HydrophobicContact CD1-CG2 3.88Å
47C97.8Very high95.7Very high9 Ų951.5 Ų51.56%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-152.7118.6172.4176.10000109.9D26 G49 Y50 Y52 M96D26-C47 WeakPolarHBondContact OD1-CA 3.38Å; C47-G49 VanDerWaalsContact C-N 3.25Å; C47-G49 PolarHBondContact O-N 2.96Å; C47-Y50 PolarHBondContact N-O 2.82Å; C47-Y50 PolarHBondContact O-N 2.82Å; C47-Y52 HydrophobicContact CB-CD2 3.8Å; C47-Y52 HydrophobicContact CB-CE2 3.68Å; C47-M96 HydrophobicContact CB-CB 3.79Å; C47-M96 HydrophobicContact CB-CE 4.15Å; C47-M96 HydrophobicContact CB-CG 4.35Å; C47-M96 WeakPolarHBondContact SG-CE 3.13Å
48K96.4Very high95.8Very high167 Ų16754.5 Ų54.573%0.72629%0.289SS*.THydrogen-bonded Turntrans52.339.7177.6-57.3179.3-178.5-178.70113.6D26 Y50D26-K48 PolarHBondContact OD1-N 2.99Å; D26-K48 PolarHBondContact OD2-N 2.92Å; K48-Y50 VanDerWaalsContact C-N 3.3Å; K48-Y50 WeakPolarHBondContact O-CD2 3.37Å; K48-Y50 PolarHBondContact O-N 3.03Å
49G94.8Very high95.9Very high65 Ų6550.5 Ų50.567%0.6726%0.261SS*.THydrogen-bonded Turntrans82.2-5.7-177.400000115.6C47C47-G49 VanDerWaalsContact C-N 3.25Å; C47-G49 PolarHBondContact O-N 2.96Å
50Y97.3Very high95.9Very high163 Ų16357.6 Ų57.664%0.63928%0.278SS*.EExtended strand (participates in β ladder)trans-103.6140.9177-62.4-84.2000111.5C47 K48C47-Y50 PolarHBondContact N-O 2.82Å; C47-Y50 PolarHBondContact O-N 2.82Å; K48-Y50 VanDerWaalsContact C-N 3.3Å; K48-Y50 WeakPolarHBondContact O-CD2 3.37Å; K48-Y50 PolarHBondContact O-N 3.03Å
51V98Very high95.7Very high30 Ų3060.8 Ų60.818%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-98.3109.5176.2174.50000110.1E17 L20 C44 V45 L46E17-V51 HydrophobicContact CB-CG2 4.38Å; E17-V51 HydrophobicContact CG-CB 3.93Å; E17-V51 HydrophobicContact CG-CG1 4.06Å; E17-V51 HydrophobicContact CG-CG2 4.05Å; L20-V51 HydrophobicContact CB-CG2 4.17Å; L20-V51 HydrophobicContact CD1-CB 4.41Å; L20-V51 HydrophobicContact CD1-CG1 3.58Å; L20-V51 HydrophobicContact CD1-CG2 3.9Å; C44-V51 HydrophobicContact CB-CG1 3.86Å; V45-V51 WeakPolarHBondContact O-CA 3.31Å; L46-V51 HydrophobicContact CD1-CG2 3.88Å
52Y97.6Very high95.5Very high95 Ų9560.5 Ų60.537%0.37331%0.311SS..EExtended strand (participates in β ladder)trans-83.8126.2174.8-68-97.5000109C44 V45 C47 A95C44-Y52 WeakPolarHBondContact CA-O 3.37Å; V45-Y52 PolarHBondContact N-O 2.86Å; V45-Y52 PolarHBondContact O-N 2.94Å; C47-Y52 HydrophobicContact CB-CD2 3.8Å; C47-Y52 HydrophobicContact CB-CE2 3.68Å; Y52-A95 HydrophobicContact CD1-CB 3.62Å; Y52-A95 HydrophobicContact CD2-CB 4.08Å; Y52-A95 HydrophobicContact CE1-CB 3.74Å; Y52-A95 HydrophobicContact CE2-CB 4.19Å; Y52-A95 HydrophobicContact CG-CB 3.8Å
53T97Very high95.4Very high59 Ų5961.6 Ų61.636%0.36232%0.319SS..EExtended strand (participates in β ladder)trans-114122.8-178.7-62.70000110.7C42 L43 C44C42-T53 HydrophobicContact CB-CG2 3.78Å; L43-T53 CarbonylContact O-C 3.54Å; L43-T53 WeakPolarHBondContact O-CA 3.45Å; C44-T53 PolarHBondContact SG-OG1 2.92Å
54Y96.3Very high95.2Very high44 Ų4462.5 Ų62.517%0.17332%0.322CS..EExtended strand (participates in β ladder)trans-111.4121.7177.8-60.9-80.4000109.7L43 V45 I94 A95L43-Y54 PolarHBondContact N-O 2.85Å; L43-Y54 PolarHBondContact O-N 3.22Å; V45-Y54 HydrophobicContact CG1-CD2 4.44Å; V45-Y54 HydrophobicContact CG1-CE2 3.95Å; Y54-I94 HydrophobicContact CD1-CG2 4.12Å; Y54-I94 HydrophobicContact CD2-CG2 4.27Å; Y54-I94 HydrophobicContact CE1-CB 4.24Å; Y54-I94 HydrophobicContact CE1-CG2 3.82Å; Y54-I94 HydrophobicContact CE2-CB 3.91Å; Y54-I94 HydrophobicContact CE2-CG2 3.97Å; Y54-I94 HydrophobicContact CG-CG2 4.34Å; Y54-A95 WeakPolarHBondContact OH-CB 3.39Å; Y54-A95 PolarHBondContact OH-N 2.81Å
55R96.1Very high95.1Very high94 Ų9462.3 Ų62.336%0.35532%0.321SS..EExtended strand (participates in β ladder)trans-74.3128174.6-79.1168.2165.2177.6-4.6110.2S36 V40 F41 A66 E67S36-R55 PolarHBondContact OG-NH2 3.08Å; V40-R55 HydrophobicContact CG1-CB 3.96Å; V40-R55 HydrophobicContact CG1-CG 4.01Å; F41-R55 CarbonylContact O-C 3.54Å; F41-R55 WeakPolarHBondContact O-CA 3.5Å; R55-A66 CarbonylContact O-C 3.58Å; R55-A66 WeakPolarHBondContact O-CA 3.45Å; R55-E67 HydrophobicContact CB-CB 4.06Å; R55-E67 WeakPolarHBondContact CB-OE2 3.45Å; R55-E67 WeakPolarHBondContact CD-OE2 3.22Å; R55-E67 IonicContact NH1-OE2 2.73Å; R55-E67 PolarHBondContact O-N 3.09Å
56L95.8Very high95Very high0 Ų062.8 Ų62.80%033%0.325CS..EExtended strand (participates in β ladder)trans-110.8125.1175.8-52.9-173.3000108.8F41 L43 A65 A66 I80 L83F41-L56 HydrophobicContact CB-CB 4.35Å; F41-L56 PolarHBondContact N-O 3.35Å; F41-L56 PolarHBondContact O-N 3.35Å; L43-L56 HydrophobicContact CB-CD1 3.93Å; L43-L56 HydrophobicContact CB-CD2 4.41Å; L43-L56 HydrophobicContact CB-CG 4.08Å; L56-A65 WeakPolarHBondContact CA-O 3.42Å; L56-A66 HydrophobicContact CD2-CB 3.78Å; L56-I80 HydrophobicContact CD1-CD1 4Å; L56-I80 HydrophobicContact CD1-CG1 4.35Å; L56-L83 HydrophobicContact CD1-CD2 3.93Å; L56-L83 HydrophobicContact CD2-CD1 4.11Å; L56-L83 HydrophobicContact CD2-CD2 3.77Å
57H94.1Very high94.7Very high43 Ų4367.2 Ų67.220%0.19935%0.346CS..EExtended strand (participates in β ladder)trans-118.7153.4177.952.8-68.5000110.1W64 A65 A66 K74H57-W64 WeakPolarHBondContact O-CA 3.39Å; H57-A65 PolarHBondContact N-O 2.72Å; H57-A65 PolarHBondContact ND1-O 3.08Å; H57-A65 VanDerWaalsContact ND1-O 3.16Å; H57-A65 PolarHBondContact O-N 2.85Å; H57-A66 PolarHBondContact CE1-O 3.27Å; H57-K74 PolarHBondContact CE1-NZ 3.31Å; H57-K74 PolarHBondContact NE2-NZ 2.68Å
58K92.8Very high94.3Very high118 Ų11869.1 Ų69.151%0.51336%0.357SS..EExtended strand (participates in β ladder)trans-106.9129.1169.1-169.6176.2-175.3-87.80107.5G62 S63 W64K58-G62 WeakPolarHBondContact CE-O 3.35Å; K58-G62 VanDerWaalsContact NZ-CA 3.3Å; K58-S63 CarbonylContact C-O 3.6Å; K58-S63 VanDerWaalsContact CA-O 3.3Å; K58-S63 WeakPolarHBondContact CA-O 3.27Å; K58-W64 HydrophobicContact CB-CD2 4.29Å; K58-W64 HydrophobicContact CB-CE3 4.2Å; K58-W64 HydrophobicContact CB-CH2 4.47Å; K58-W64 HydrophobicContact CB-CZ3 4.29Å; K58-W64 HydrophobicContact CD-CZ2 3.96Å; K58-W64 HydrophobicContact CG-CD2 4.43Å
59D90.9Very high93.9Very high47 Ų4765.9 Ų65.925%0.25135%0.351SS..  trans-82.3174.9177.963.637.8000112.6A61 G62 S63 Y76D59-A61 VanDerWaalsContact C-N 3.28Å; D59-A61 PolarHBondContact O-N 3.49Å; D59-A61 VanDerWaalsContact OD1-C 3.27Å; D59-A61 WeakPolarHBondContact OD1-CA 3.42Å; D59-A61 WeakPolarHBondContact OD1-CB 3.34Å; D59-A61 PolarHBondContact OD1-N 3.14Å; D59-G62 WeakPolarHBondContact O-CA 3.41Å; D59-G62 PolarHBondContact O-N 2.87Å; D59-G62 PolarHBondContact OD1-N 2.8Å; D59-S63 PolarHBondContact N-O 2.86Å; D59-S63 PolarHBondContact OD1-N 2.74Å; D59-S63 WeakPolarHBondContact OD2-CB 3.35Å; D59-Y76 WeakPolarHBondContact OD2-CD1 3.28Å; D59-Y76 VanDerWaalsContact OD2-CE1 3.23Å; D59-Y76 WeakPolarHBondContact OD2-CE1 3.42Å
60E89.4Confident93.6Very high208 Ų20869.2 Ų69.297%0.97236%0.361SS*.THydrogen-bonded Turntrans-62-33.3179.3-62.5173.9-176.700112.5G62E60-G62 PolarHBondContact O-N 2.7Å
61A90.4Very high93.1Very high92 Ų9265.5 Ų65.576%0.7637%0.372SS*.THydrogen-bonded Turntrans-75.5-0.7172.500000112.9D59D59-A61 VanDerWaalsContact C-N 3.28Å; D59-A61 PolarHBondContact O-N 3.49Å; D59-A61 VanDerWaalsContact OD1-C 3.27Å; D59-A61 WeakPolarHBondContact OD1-CA 3.42Å; D59-A61 WeakPolarHBondContact OD1-CB 3.34Å; D59-A61 PolarHBondContact OD1-N 3.14Å
62G90.4Very high92.6Very high19 Ų1967.6 Ų67.620%0.19639%0.385CS..SBendtrans78.811.1177.400000115.6K58 D59 E60K58-G62 WeakPolarHBondContact CE-O 3.35Å; K58-G62 VanDerWaalsContact NZ-CA 3.3Å; D59-G62 WeakPolarHBondContact O-CA 3.41Å; D59-G62 PolarHBondContact O-N 2.87Å; D59-G62 PolarHBondContact OD1-N 2.8Å; E60-G62 PolarHBondContact O-N 2.7Å
63S94.9Very high92.1Very high29 Ų2968.3 Ų68.320%0.20340%0.401CS..  trans-85.9152.2173.9-65.60000111.7K58 D59K58-S63 CarbonylContact C-O 3.6Å; K58-S63 VanDerWaalsContact CA-O 3.3Å; K58-S63 WeakPolarHBondContact CA-O 3.27Å; D59-S63 PolarHBondContact N-O 2.86Å; D59-S63 PolarHBondContact OD1-N 2.74Å; D59-S63 WeakPolarHBondContact OD2-CB 3.35Å
64W95.3Very high91.8Very high18 Ų1869.8 Ų69.87%0.06840%0.403CS..EExtended strand (participates in β ladder)trans-97.4134.6-179.8-66.586.8000111M1 F41 H57 K58 Y76 F77 I80 L83M1-W64 HydrophobicContact CE-CH2 4.32Å; F41-W64 AromaticContact CD2-CH2 3.95Å; F41-W64 HydrophobicContact CD2-CH2 3.95Å; F41-W64 AromaticContact CD2-CZ3 3.65Å; F41-W64 HydrophobicContact CD2-CZ3 3.65Å; F41-W64 AromaticContact CE2-CH2 3.68Å; F41-W64 HydrophobicContact CE2-CH2 3.68Å; F41-W64 AromaticContact CE2-CZ3 3.85Å; F41-W64 HydrophobicContact CE2-CZ3 3.85Å; F41-W64 HydrophobicContact CZ-CH2 4.47Å; H57-W64 WeakPolarHBondContact O-CA 3.39Å; K58-W64 HydrophobicContact CB-CD2 4.29Å; K58-W64 HydrophobicContact CB-CE3 4.2Å; K58-W64 HydrophobicContact CB-CH2 4.47Å; K58-W64 HydrophobicContact CB-CZ3 4.29Å; K58-W64 HydrophobicContact CD-CZ2 3.96Å; K58-W64 HydrophobicContact CG-CD2 4.43Å; W64-Y76 CarbonylContact O-C 3.55Å; W64-Y76 WeakPolarHBondContact O-CA 3.4Å; W64-F77 WeakPolarHBondContact CB-O 3.43Å; W64-F77 PolarHBondContact N-O 3.06Å; W64-F77 PolarHBondContact O-N 3.31Å; W64-I80 HydrophobicContact CD2-CB 3.77Å; W64-I80 HydrophobicContact CD2-CG1 4.44Å; W64-I80 HydrophobicContact CE3-CB 4.14Å; W64-I80 HydrophobicContact CE3-CD1 4.08Å; W64-I80 HydrophobicContact CE3-CG1 4.35Å; W64-I80 HydrophobicContact CG-CB 4.07Å; W64-I80 HydrophobicContact CH2-CD1 4.21Å; W64-I80 HydrophobicContact CZ2-CB 4.2Å; W64-I80 HydrophobicContact CZ2-CG2 4.31Å; W64-I80 HydrophobicContact CZ3-CD1 3.89Å; W64-L83 HydrophobicContact CB-CD1 4.14Å
65A95.3Very high91.6Very high0 Ų073.4 Ų73.40%042%0.416CS..EExtended strand (participates in β ladder)trans-135.4150.2173.200000111L56 H57 Y76L56-A65 WeakPolarHBondContact CA-O 3.42Å; H57-A65 PolarHBondContact N-O 2.72Å; H57-A65 PolarHBondContact ND1-O 3.08Å; H57-A65 VanDerWaalsContact ND1-O 3.16Å; H57-A65 PolarHBondContact O-N 2.85Å; A65-Y76 HydrophobicContact CB-CD1 4.09Å; A65-Y76 HydrophobicContact CB-CE1 4.13Å
66A95.3Very high91.6Very high10 Ų1075.3 Ų75.38%0.08342%0.424CS..EExtended strand (participates in β ladder)trans-83.7150.1164.300000109.8R55 L56 H57 T68 F87R55-A66 CarbonylContact O-C 3.58Å; R55-A66 WeakPolarHBondContact O-CA 3.45Å; L56-A66 HydrophobicContact CD2-CB 3.78Å; H57-A66 PolarHBondContact CE1-O 3.27Å; A66-T68 PolarHBondContact O-N 2.79Å; A66-F87 HydrophobicContact CB-CE2 3.94Å; A66-F87 HydrophobicContact CB-CZ 3.8Å
67E93.6Very high91.6Very high102 Ų10276.7 Ų76.748%0.47743%0.43SS..  trans-67.1125.9165.9-167.1169.4-177.400109.3R55R55-E67 HydrophobicContact CB-CB 4.06Å; R55-E67 WeakPolarHBondContact CB-OE2 3.45Å; R55-E67 WeakPolarHBondContact CD-OE2 3.22Å; R55-E67 IonicContact NH1-OE2 2.73Å; R55-E67 PolarHBondContact O-N 3.09Å
68T89.4Confident91.5Very high48 Ų4884.5 Ų84.529%0.29446%0.458SS..  trans-113.4156.3179.554.70000109.9A66 V72 K74A66-T68 PolarHBondContact O-N 2.79Å; T68-V72 HydrophobicContact CG2-CG1 4.23Å; T68-V72 PolarHBondContact OG1-O 2.78Å; T68-K74 HydrophobicContact CG2-CG 4.43Å; T68-K74 WeakPolarHBondContact OG1-CG 3.27Å
69T86.9Confident91.6Very high99 Ų9982.3 Ų82.361%0.60745%0.449SS*.  trans-62.6149.6170.7410000111G71 V72T69-G71 PolarHBondContact O-N 2.85Å; T69-V72 WeakPolarHBondContact O-CB 3.43Å; T69-V72 PolarHBondContact O-N 2.87Å; T69-V72 VanDerWaalsContact OG1-CG2 3.29Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.38Å
70P87.8Confident91.7Very high135 Ų13580 Ų8088%0.87744%0.437SS*.THydrogen-bonded Turntrans-51135.7174.9-27.935.8000112.1V72P70-V72 VanDerWaalsContact C-N 3.31Å; P70-V72 PolarHBondContact O-N 2.82Å
71G87.6Confident91.9Very high85 Ų8574.9 Ų74.988%0.87641%0.412SS*.THydrogen-bonded Turntrans85-15.3-175.500000115.6T69 P73T69-G71 PolarHBondContact O-N 2.85Å; G71-P73 WeakPolarHBondContact O-CD 3.1Å
72V87.5Confident92.2Very high75 Ų7573.9 Ų73.946%0.45539%0.394SS..SBendtrans-88.6119.7174.6176.90000110.3T68 T69 P70 K74T68-V72 HydrophobicContact CG2-CG1 4.23Å; T68-V72 PolarHBondContact OG1-O 2.78Å; T69-V72 WeakPolarHBondContact O-CB 3.43Å; T69-V72 PolarHBondContact O-N 2.87Å; T69-V72 VanDerWaalsContact OG1-CG2 3.29Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.38Å; P70-V72 VanDerWaalsContact C-N 3.31Å; P70-V72 PolarHBondContact O-N 2.82Å; V72-K74 PolarHBondContact O-N 2.96Å
73P87.2Confident92.4Very high109 Ų10973 Ų7371%0.70838%0.384SS*.PPolyproline II helixtrans-57.9126.9-178.7-26.635.5000113.2G71G71-P73 WeakPolarHBondContact O-CD 3.1Å
74K90.1Very high92.5Very high90 Ų9072 Ų7239%0.39138%0.377SS..PPolyproline II helixtrans-65142172.2-74.1-173.2176.7-1750110.6H57 T68 V72 Y76H57-K74 PolarHBondContact CE1-NZ 3.31Å; H57-K74 PolarHBondContact NE2-NZ 2.68Å; T68-K74 HydrophobicContact CG2-CG 4.43Å; T68-K74 WeakPolarHBondContact OG1-CG 3.27Å; V72-K74 PolarHBondContact O-N 2.96Å; K74-Y76 HydrophobicContact CB-CD2 4.48Å; K74-Y76 HydrophobicContact CB-CE2 3.71Å
75R93.8Very high92.5Very high121 Ų12173.1 Ų73.146%0.45739%0.39SS..  trans-111.1129.9172.6-72.2174.462-162.82.5109.8F77R75-F77 HydrophobicContact CB-CE2 3.77Å; R75-F77 HydrophobicContact CB-CZ 4.12Å
76Y94.9Very high92.6Very high133 Ų13373.7 Ų73.752%0.52240%0.395SS..EExtended strand (participates in β ladder)trans-107.4135.7-173.7-64.9-91.9000110.7D59 W64 A65 K74D59-Y76 WeakPolarHBondContact OD2-CD1 3.28Å; D59-Y76 VanDerWaalsContact OD2-CE1 3.23Å; D59-Y76 WeakPolarHBondContact OD2-CE1 3.42Å; W64-Y76 CarbonylContact O-C 3.55Å; W64-Y76 WeakPolarHBondContact O-CA 3.4Å; A65-Y76 HydrophobicContact CB-CD1 4.09Å; A65-Y76 HydrophobicContact CB-CE1 4.13Å; K74-Y76 HydrophobicContact CB-CD2 4.48Å; K74-Y76 HydrophobicContact CB-CE2 3.71Å
77F94.9Very high92.7Very high29 Ų2974 Ų7413%0.12739%0.394CS..EExtended strand (participates in β ladder)trans-132.6128.4-175.3-59.7-94.4000110.4W64 R75 H79 N82 L83 A86W64-F77 WeakPolarHBondContact CB-O 3.43Å; W64-F77 PolarHBondContact N-O 3.06Å; W64-F77 PolarHBondContact O-N 3.31Å; R75-F77 HydrophobicContact CB-CE2 3.77Å; R75-F77 HydrophobicContact CB-CZ 4.12Å; F77-H79 PolarHBondContact O-N 3.07Å; F77-H79 VanDerWaalsContact O-N 3.07Å; F77-N82 HydrophobicContact CB-CB 4.43Å; F77-N82 HydrophobicContact CD1-CB 4.21Å; F77-L83 HydrophobicContact CB-CB 4.09Å; F77-L83 HydrophobicContact CD1-CB 4.41Å; F77-L83 HydrophobicContact CD2-CB 3.68Å; F77-L83 HydrophobicContact CD2-CD1 3.93Å; F77-L83 HydrophobicContact CD2-CG 3.85Å; F77-L83 HydrophobicContact CE2-CB 4.14Å; F77-L83 HydrophobicContact CE2-CD1 4.34Å; F77-L83 HydrophobicContact CE2-CG 4Å; F77-L83 HydrophobicContact CG-CB 3.82Å; F77-L83 HydrophobicContact CG-CG 4.5Å; F77-A86 HydrophobicContact CE1-CB 3.63Å; F77-A86 HydrophobicContact CZ-CB 3.72Å
78R93.9Very high92.8Very high207 Ų20773.6 Ų73.678%0.78139%0.392SS*.SBendtrans-58-25.6178.9-66.4-176.1180178.4-0.6114.2
79H93.3Very high93.2Very high72 Ų7277.9 Ų77.933%0.33341%0.407SS..SBendtrans-136.9138.7-176.4-60.1-67.8000110.8E2 F77 K81 N82 L83E2-H79 WeakPolarHBondContact OE1-CA 3.42Å; E2-H79 VanDerWaalsContact OE1-CB 3.3Å; E2-H79 WeakPolarHBondContact OE1-CB 3.5Å; E2-H79 IonicContact OE1-CG 3.42Å; E2-H79 IonicContact OE1-ND1 2.82Å; E2-H79 PolarHBondContact OE1-ND1 3.12Å; E2-H79 IonicContact OE2-CG 3.98Å; E2-H79 IonicContact OE2-ND1 3.73Å; F77-H79 PolarHBondContact O-N 3.07Å; F77-H79 VanDerWaalsContact O-N 3.07Å; H79-K81 VanDerWaalsContact C-N 3.26Å; H79-K81 HydrophobicContact CB-CD 4.48Å; H79-K81 HydrophobicContact CB-CG 3.95Å; H79-K81 PolarHBondContact O-N 2.87Å; H79-N82 HydrophobicContact CB-CB 4.47Å; H79-N82 WeakPolarHBondContact O-CB 3.29Å; H79-N82 PolarHBondContact O-N 2.9Å; H79-L83 PolarHBondContact O-N 3.24Å
80I93.8Very high93.6Very high0 Ų083.8 Ų83.80%042%0.418CS..Hα-helixtrans-60.9-34.1178.1-176.5167.1000112.4M1 E2 L4 L56 W64 N82 L83 I84M1-I80 HydrophobicContact CE-CD1 3.75Å; E2-I80 HydrophobicContact CB-CG2 4.3Å; L4-I80 HydrophobicContact CD1-CD1 3.91Å; L4-I80 HydrophobicContact CD1-CG1 4.11Å; L4-I80 HydrophobicContact CD1-CG2 3.83Å; L4-I80 HydrophobicContact CD2-CG2 4.44Å; L4-I80 HydrophobicContact CG-CG2 4.32Å; L56-I80 HydrophobicContact CD1-CD1 4Å; L56-I80 HydrophobicContact CD1-CG1 4.35Å; W64-I80 HydrophobicContact CD2-CB 3.77Å; W64-I80 HydrophobicContact CD2-CG1 4.44Å; W64-I80 HydrophobicContact CE3-CB 4.14Å; W64-I80 HydrophobicContact CE3-CD1 4.08Å; W64-I80 HydrophobicContact CE3-CG1 4.35Å; W64-I80 HydrophobicContact CG-CB 4.07Å; W64-I80 HydrophobicContact CH2-CD1 4.21Å; W64-I80 HydrophobicContact CZ2-CB 4.2Å; W64-I80 HydrophobicContact CZ2-CG2 4.31Å; W64-I80 HydrophobicContact CZ3-CD1 3.89Å; I80-N82 PolarHBondContact O-N 3.43Å; I80-L83 WeakPolarHBondContact O-CB 3.46Å; I80-L83 PolarHBondContact O-N 3.42Å; I80-L83 VanDerWaalsContact O-N 3.16Å; I80-I84 HydrophobicContact CG1-CD1 4.18Å; I80-I84 WeakPolarHBondContact O-CG1 3.49Å; I80-I84 PolarHBondContact O-N 3.33Å
81K94.3Very high93.7Very high99 Ų9981.2 Ų81.243%0.4342%0.416SS..Hα-helixtrans-60.3-30.6173.472-166.9171.9-132.60112.9E2 L4 H79 A85E2-K81 WeakPolarHBondContact OE2-CD 3.27Å; E2-K81 WeakPolarHBondContact OE2-CE 3.47Å; E2-K81 IonicContact OE2-NZ 2.76Å; E2-K81 PolarHBondContact OE2-NZ 3.04Å; L4-K81 HydrophobicContact CD2-CB 4.2Å; H79-K81 VanDerWaalsContact C-N 3.26Å; H79-K81 HydrophobicContact CB-CD 4.48Å; H79-K81 HydrophobicContact CB-CG 3.95Å; H79-K81 PolarHBondContact O-N 2.87Å; K81-A85 VanDerWaalsContact O-CB 3.29Å; K81-A85 WeakPolarHBondContact O-CB 3.08Å; K81-A85 PolarHBondContact O-N 2.94Å
82N95.5Very high94Very high71 Ų7179.9 Ų79.938%0.3839%0.387SS..Hα-helixtrans-76.6-33.4178.1-62.712.5000111.4F77 H79 I80 A86F77-N82 HydrophobicContact CB-CB 4.43Å; F77-N82 HydrophobicContact CD1-CB 4.21Å; H79-N82 HydrophobicContact CB-CB 4.47Å; H79-N82 WeakPolarHBondContact O-CB 3.29Å; H79-N82 PolarHBondContact O-N 2.9Å; I80-N82 PolarHBondContact O-N 3.43Å; N82-A86 PolarHBondContact O-N 3.32Å
83L95.8Very high94.2Very high0 Ų080 Ų800%040%0.404CS..Hα-helixtrans-64.3-47.3171.4-178.3158.9000110.3L56 W64 F77 H79 I80 A86 F87L56-L83 HydrophobicContact CD1-CD2 3.93Å; L56-L83 HydrophobicContact CD2-CD1 4.11Å; L56-L83 HydrophobicContact CD2-CD2 3.77Å; W64-L83 HydrophobicContact CB-CD1 4.14Å; F77-L83 HydrophobicContact CB-CB 4.09Å; F77-L83 HydrophobicContact CD1-CB 4.41Å; F77-L83 HydrophobicContact CD2-CB 3.68Å; F77-L83 HydrophobicContact CD2-CD1 3.93Å; F77-L83 HydrophobicContact CD2-CG 3.85Å; F77-L83 HydrophobicContact CE2-CB 4.14Å; F77-L83 HydrophobicContact CE2-CD1 4.34Å; F77-L83 HydrophobicContact CE2-CG 4Å; F77-L83 HydrophobicContact CG-CB 3.82Å; F77-L83 HydrophobicContact CG-CG 4.5Å; H79-L83 PolarHBondContact O-N 3.24Å; I80-L83 WeakPolarHBondContact O-CB 3.46Å; I80-L83 PolarHBondContact O-N 3.42Å; I80-L83 VanDerWaalsContact O-N 3.16Å; L83-A86 WeakPolarHBondContact O-CB 3.23Å; L83-A86 PolarHBondContact O-N 2.96Å; L83-F87 HydrophobicContact CD2-CD2 3.62Å; L83-F87 HydrophobicContact CD2-CE2 3.55Å; L83-F87 HydrophobicContact CG-CD2 4.5Å; L83-F87 HydrophobicContact CG-CE2 4.23Å; L83-F87 PolarHBondContact O-N 3.39Å; L83-F87 VanDerWaalsContact O-N 3.11Å
84I96Very high94.5Very high9 Ų976.2 Ų76.25%0.04638%0.377CS..Hα-helixtrans-58.5-49.8174.3-67.3167.9000110.4L4 V6 Y29 V31 I80 A86 F87 Q88 L98L4-I84 HydrophobicContact CD1-CD1 3.88Å; L4-I84 HydrophobicContact CD2-CD1 4.04Å; V6-I84 HydrophobicContact CG2-CD1 4.33Å; Y29-I84 HydrophobicContact CE2-CG2 3.95Å; V31-I84 HydrophobicContact CG2-CD1 4.26Å; I80-I84 HydrophobicContact CG1-CD1 4.18Å; I80-I84 WeakPolarHBondContact O-CG1 3.49Å; I80-I84 PolarHBondContact O-N 3.33Å; I84-A86 VanDerWaalsContact C-N 3.26Å; I84-A86 PolarHBondContact O-N 3.02Å; I84-F87 CarbonylContact O-C 3.55Å; I84-F87 PolarHBondContact O-N 3.22Å; I84-Q88 WeakPolarHBondContact O-CG 3.44Å; I84-Q88 PolarHBondContact O-N 3.47Å; I84-L98 HydrophobicContact CB-CD1 4.42Å; I84-L98 HydrophobicContact CG2-CD1 3.9Å
85A96.4Very high94.7Very high42 Ų4274.2 Ų74.235%0.34738%0.377SS..Hα-helixtrans-64.7-25179.400000114.1K81K81-A85 VanDerWaalsContact O-CB 3.29Å; K81-A85 WeakPolarHBondContact O-CB 3.08Å; K81-A85 PolarHBondContact O-N 2.94Å
86A96.6Very high94.8Very high12 Ų1270 Ų7010%0.09936%0.363CS..Hα-helixtrans-68.6-49.6168.300000110.6F77 N82 L83 I84 Q88 K89 Q92F77-A86 HydrophobicContact CE1-CB 3.63Å; F77-A86 HydrophobicContact CZ-CB 3.72Å; N82-A86 PolarHBondContact O-N 3.32Å; L83-A86 WeakPolarHBondContact O-CB 3.23Å; L83-A86 PolarHBondContact O-N 2.96Å; I84-A86 VanDerWaalsContact C-N 3.26Å; I84-A86 PolarHBondContact O-N 3.02Å; A86-Q88 PolarHBondContact O-N 3.46Å; A86-K89 WeakPolarHBondContact O-CB 3.3Å; A86-K89 PolarHBondContact O-N 2.91Å; A86-Q92 WeakPolarHBondContact O-CG 3.4Å
87F96.9Very high95Very high16 Ų1664.7 Ų64.77%0.0735%0.345CS..Hα-helixtrans-69.4-9.4-179.7-72.6-20.5000115.5L43 A66 L83 I84 K89 Q92 I94 P97 L98L43-F87 HydrophobicContact CD2-CD2 3.76Å; L43-F87 HydrophobicContact CD2-CE2 4.22Å; A66-F87 HydrophobicContact CB-CE2 3.94Å; A66-F87 HydrophobicContact CB-CZ 3.8Å; L83-F87 HydrophobicContact CD2-CD2 3.62Å; L83-F87 HydrophobicContact CD2-CE2 3.55Å; L83-F87 HydrophobicContact CG-CD2 4.5Å; L83-F87 HydrophobicContact CG-CE2 4.23Å; L83-F87 PolarHBondContact O-N 3.39Å; L83-F87 VanDerWaalsContact O-N 3.11Å; I84-F87 CarbonylContact O-C 3.55Å; I84-F87 PolarHBondContact O-N 3.22Å; F87-K89 PolarHBondContact O-N 2.9Å; F87-Q92 HydrophobicContact CD1-CB 3.99Å; F87-Q92 HydrophobicContact CE1-CB 4.49Å; F87-I94 HydrophobicContact CB-CD1 3.71Å; F87-I94 HydrophobicContact CD1-CD1 4.29Å; F87-I94 HydrophobicContact CD1-CG2 4.16Å; F87-I94 HydrophobicContact CD2-CD1 4.44Å; F87-I94 HydrophobicContact CD2-CG2 4.44Å; F87-I94 HydrophobicContact CE1-CG2 3.97Å; F87-I94 HydrophobicContact CE2-CG2 4.26Å; F87-I94 HydrophobicContact CG-CD1 3.93Å; F87-I94 HydrophobicContact CG-CG2 4.4Å; F87-I94 HydrophobicContact CZ-CG2 4.02Å; F87-P97 WeakPolarHBondContact O-CA 3.46Å; F87-L98 HydrophobicContact CB-CD1 3.65Å; F87-L98 HydrophobicContact CB-CG 3.87Å; F87-L98 PolarHBondContact O-N 2.93Å
88Q97.1Very high95.1Very high93 Ų9363.4 Ų63.444%0.43534%0.339SS..THydrogen-bonded Turntrans-66.6-17.8164.4-69.1175.2-2700112.8Y29 I84 A86 L98Y29-Q88 PolarHBondContact OH-NE2 3.27Å; I84-Q88 WeakPolarHBondContact O-CG 3.44Å; I84-Q88 PolarHBondContact O-N 3.47Å; A86-Q88 PolarHBondContact O-N 3.46Å; Q88-L98 WeakPolarHBondContact CA-O 3.44Å; Q88-L98 HydrophobicContact CG-CB 3.96Å; Q88-L98 WeakPolarHBondContact CG-O 3.37Å
89K96.9Very high95.3Very high139 Ų13957.6 Ų57.660%0.60432%0.323SS*.SBendtrans-89.7148.1179.6-57.4-175.5-179.1-174.70112A86 F87 Q92A86-K89 WeakPolarHBondContact O-CB 3.3Å; A86-K89 PolarHBondContact O-N 2.91Å; F87-K89 PolarHBondContact O-N 2.9Å; K89-Q92 HydrophobicContact CB-CG 3.94Å; K89-Q92 VanDerWaalsContact O-CG 3.23Å; K89-Q92 WeakPolarHBondContact O-CG 3.45Å
90R94.8Very high95.6Very high222 Ų22258.6 Ų58.684%0.83833%0.325SS*.SBendtrans-66153172.8-68.2-179.9-179.9-170.40.2111.3P97R90-P97 HydrophobicContact CG-CG 3.8Å
91G91.2Very high95.7Very high81 Ų8161.7 Ų61.784%0.83535%0.345SS*.SBendtrans68.932.4174.100000114.9
92Q93.1Very high95.8Very high58 Ų5857.9 Ų57.927%0.27133%0.33SS..SBendtrans-105.215.7-176.6-61.5-67-79.700114.3A86 F87 K89A86-Q92 WeakPolarHBondContact O-CG 3.4Å; F87-Q92 HydrophobicContact CD1-CB 3.99Å; F87-Q92 HydrophobicContact CE1-CB 4.49Å; K89-Q92 HydrophobicContact CB-CG 3.94Å; K89-Q92 VanDerWaalsContact O-CG 3.23Å; K89-Q92 WeakPolarHBondContact O-CG 3.45Å
93G91.1Very high95.7Very high78 Ų7858.1 Ų58.180%0.80433%0.334SS*.SBendtrans86.74.8177.200000115.9
94I93.8Very high95.1Very high28 Ų2860 Ų6014%0.14435%0.35CS..SBendtrans-109.2156.2173.465169.4000111.7Y54 F87 M96 L98Y54-I94 HydrophobicContact CD1-CG2 4.12Å; Y54-I94 HydrophobicContact CD2-CG2 4.27Å; Y54-I94 HydrophobicContact CE1-CB 4.24Å; Y54-I94 HydrophobicContact CE1-CG2 3.82Å; Y54-I94 HydrophobicContact CE2-CB 3.91Å; Y54-I94 HydrophobicContact CE2-CG2 3.97Å; Y54-I94 HydrophobicContact CG-CG2 4.34Å; F87-I94 HydrophobicContact CB-CD1 3.71Å; F87-I94 HydrophobicContact CD1-CD1 4.29Å; F87-I94 HydrophobicContact CD1-CG2 4.16Å; F87-I94 HydrophobicContact CD2-CD1 4.44Å; F87-I94 HydrophobicContact CD2-CG2 4.44Å; F87-I94 HydrophobicContact CE1-CG2 3.97Å; F87-I94 HydrophobicContact CE2-CG2 4.26Å; F87-I94 HydrophobicContact CG-CD1 3.93Å; F87-I94 HydrophobicContact CG-CG2 4.4Å; F87-I94 HydrophobicContact CZ-CG2 4.02Å; I94-M96 VanDerWaalsContact C-N 3.32Å; I94-M96 WeakPolarHBondContact CD1-O 3.35Å; I94-M96 WeakPolarHBondContact CG1-O 3.47Å; I94-M96 PolarHBondContact O-N 2.85Å; I94-L98 HydrophobicContact CD1-CD2 4.18Å; I94-L98 HydrophobicContact CD1-CG 4.26Å
95A94.3Very high94Very high48 Ų4868.1 Ų68.140%0.39739%0.387SS..SBendtrans-68.1-27.1-170.400000114.3Y52 Y54Y52-A95 HydrophobicContact CD1-CB 3.62Å; Y52-A95 HydrophobicContact CD2-CB 4.08Å; Y52-A95 HydrophobicContact CE1-CB 3.74Å; Y52-A95 HydrophobicContact CE2-CB 4.19Å; Y52-A95 HydrophobicContact CG-CB 3.8Å; Y54-A95 WeakPolarHBondContact OH-CB 3.39Å; Y54-A95 PolarHBondContact OH-N 2.81Å
96M97Very high92.1Very high33 Ų3377.4 Ų77.416%0.16341%0.413CS..SBendtrans-149.2134.8176.9-177.862.269.700108.3D26 G27 V45 C47 I94D26-M96 HydrophobicContact CB-CE 3.96Å; D26-M96 WeakPolarHBondContact OD2-CE 3.41Å; G27-M96 VanDerWaalsContact CA-CG 3.5Å; V45-M96 HydrophobicContact CG2-CB 4.3Å; V45-M96 HydrophobicContact CG2-CG 4.45Å; C47-M96 HydrophobicContact CB-CB 3.79Å; C47-M96 HydrophobicContact CB-CE 4.15Å; C47-M96 HydrophobicContact CB-CG 4.35Å; C47-M96 WeakPolarHBondContact SG-CE 3.13Å; I94-M96 VanDerWaalsContact C-N 3.32Å; I94-M96 WeakPolarHBondContact CD1-O 3.35Å; I94-M96 WeakPolarHBondContact CG1-O 3.47Å; I94-M96 PolarHBondContact O-N 2.85Å
97P97.9Very high90Very high21 Ų2187.4 Ų87.414%0.13645%0.448CS..  trans-61153.7174.2-19.431.9000111.5G27 F87 R90 L99G27-P97 WeakPolarHBondContact CA-O 3.42Å; F87-P97 WeakPolarHBondContact O-CA 3.46Å; R90-P97 HydrophobicContact CG-CG 3.8Å; P97-L99 HydrophobicContact CB-CD2 4.18Å; P97-L99 PolarHBondContact O-N 3.06Å
98L98.3Very high87.5Confident3 Ų390.5 Ų90.52%0.01648%0.477CS..  trans-75.4108.4174.2-52.8-176.3000108.9Y29 L43 V45 I84 F87 Q88 I94Y29-L98 HydrophobicContact CD1-CB 3.71Å; Y29-L98 HydrophobicContact CD1-CD2 4.33Å; Y29-L98 HydrophobicContact CD2-CB 4.28Å; Y29-L98 HydrophobicContact CD2-CD1 4.09Å; Y29-L98 HydrophobicContact CD2-CD2 4.13Å; Y29-L98 HydrophobicContact CD2-CG 4.39Å; Y29-L98 HydrophobicContact CE1-CB 3.67Å; Y29-L98 HydrophobicContact CE2-CB 4.24Å; Y29-L98 HydrophobicContact CE2-CD1 4.07Å; Y29-L98 HydrophobicContact CG-CB 4.02Å; Y29-L98 HydrophobicContact CG-CD2 3.86Å; Y29-L98 HydrophobicContact CG-CG 4.33Å; L43-L98 HydrophobicContact CD1-CD1 4.05Å; L43-L98 HydrophobicContact CD1-CD2 4.06Å; L43-L98 HydrophobicContact CD2-CD1 4.05Å; L43-L98 HydrophobicContact CD2-CD2 4.33Å; L43-L98 HydrophobicContact CG-CD2 4.48Å; V45-L98 HydrophobicContact CB-CD2 4.03Å; V45-L98 HydrophobicContact CG2-CD2 4.05Å; I84-L98 HydrophobicContact CB-CD1 4.42Å; I84-L98 HydrophobicContact CG2-CD1 3.9Å; F87-L98 HydrophobicContact CB-CD1 3.65Å; F87-L98 HydrophobicContact CB-CG 3.87Å; F87-L98 PolarHBondContact O-N 2.93Å; Q88-L98 WeakPolarHBondContact CA-O 3.44Å; Q88-L98 HydrophobicContact CG-CB 3.96Å; Q88-L98 WeakPolarHBondContact CG-O 3.37Å; I94-L98 HydrophobicContact CD1-CD2 4.18Å; I94-L98 HydrophobicContact CD1-CG 4.26Å
99L97.9Very high85Confident84 Ų8493.9 Ų93.944%0.4449%0.493SS..  trans-110.6-49.1-174.9-61.2-178.2000112.5G27 P97G27-L99 PolarHBondContact O-N 3.16Å; P97-L99 HydrophobicContact CB-CD2 4.18Å; P97-L99 PolarHBondContact O-N 3.06Å
100Y97.9Very high82.3Confident93 Ų9393.5 Ų93.537%0.36550%0.502SS..EExtended strand (participates in β ladder)trans-118.9103.3-170.5-49.4-64.3000111.1R25 D26 G27 C28 Y29 V102R25-Y100 HydrophobicContact CB-CD2 3.54Å; R25-Y100 HydrophobicContact CB-CE2 3.79Å; R25-Y100 HydrophobicContact CB-CG 4.42Å; R25-Y100 HydrophobicContact CG-CD2 4.38Å; R25-Y100 HydrophobicContact CG-CE2 4.5Å; D26-Y100 VanDerWaalsContact O-CE2 3.3Å; D26-Y100 WeakPolarHBondContact O-CE2 3.3Å; G27-Y100 PolarHBondContact O-N 2.93Å; C28-Y100 CarbonylContact C-O 3.54Å; C28-Y100 VanDerWaalsContact CA-O 3.24Å; C28-Y100 WeakPolarHBondContact CA-O 3.37Å; Y29-Y100 VanDerWaalsContact CD1-O 3.3Å; Y29-Y100 WeakPolarHBondContact CD1-O 3.24Å; Y29-Y100 PolarHBondContact N-O 2.83Å; Y100-V102 PolarHBondContact O-N 2.77Å; Y100-V102 VanDerWaalsContact O-N 3.15Å
101P96.9Very high80Confident65 Ų6589.7 Ų89.742%0.42249%0.494SS..EExtended strand (participates in β ladder)trans-70111.3-179.426.6-32.9000110.7V6 Y29 T103V6-P101 HydrophobicContact CG1-CB 3.32Å; Y29-P101 HydrophobicContact CE1-CB 3.98Å; P101-T103 PolarHBondContact O-N 3.49Å
102V96.6Very high77.8Confident19 Ų1990.1 Ų90.112%0.11549%0.49CS..  trans-78.1106.3169.6-1770000107.3H8 L20 D23 C28 Y29 L30 Y100H8-V102 WeakPolarHBondContact CE1-CG1 3.34Å; H8-V102 CovalentContact NE2-O 1.81Å; H8-V102 PolarHBondContact NE2-O 2.9Å; L20-V102 HydrophobicContact CD2-CG2 4.02Å; D23-V102 HydrophobicContact CB-CG2 4Å; C28-V102 HydrophobicContact CB-CG2 4Å; Y29-V102 PolarHBondContact O-N 2.96Å; L30-V102 HydrophobicContact CB-CB 4.47Å; Y100-V102 PolarHBondContact O-N 2.77Å; Y100-V102 VanDerWaalsContact O-N 3.15Å
103T93.6Very high75.5Confident77 Ų7795.1 Ų95.147%0.47251%0.513SS..  trans-78.9148.6-177.754.10000111.7T5 H8 P101 Q105T5-T103 CarbonylContact O-C 3.57Å; T5-T103 VanDerWaalsContact O-CA 3.25Å; T5-T103 WeakPolarHBondContact O-CA 3.22Å; H8-T103 WeakPolarHBondContact NE2-CA 3.41Å; H8-T103 PolarHBondContact NE2-N 2.71Å; H8-T103 PolarHBondContact NE2-O 2.75Å; P101-T103 PolarHBondContact O-N 3.49Å; T103-Q105 PolarHBondContact O-N 2.97Å
104A83.5Confident73.5Confident39 Ų39100 Ų10032%0.32251%0.514SS..  trans-68114.6171.700000109.1T5 Y7 H8 R106T5-A104 PolarHBondContact O-N 2.76Å; Y7-A104 WeakPolarHBondContact O-CB 3.48Å; H8-A104 PolarHBondContact NE2-N 2.81Å; A104-R106 PolarHBondContact O-N 2.79Å
105Q71.4Confident71Confident180 Ų180106.8 Ų106.884%0.84155%0.546SS*.  trans-57.1113.4166.4-72.9177.8-19.300107.9T103 R107T103-Q105 PolarHBondContact O-N 2.97Å; Q105-R107 PolarHBondContact O-N 2.94Å
106R58Low68.6Low237 Ų237111.9 Ų111.989%0.89456%0.561SS**  trans-60.6110.9172.7-177-171.1-64.3-1244.3106.7A104 A108A104-R106 PolarHBondContact O-N 2.79Å; R106-A108 PolarHBondContact O-N 3.45Å
107R51.3Low66Low221 Ų221117.6 Ų117.683%0.83459%0.588SS**  trans-55.4107.1170.1-76.7-176.9173.5173.5-2.6107.4Q105 Q109Q105-R107 PolarHBondContact O-N 2.94Å; R107-Q109 PolarHBondContact O-N 3.21Å
108A44.9Very low63Low81 Ų81124.7 Ų124.767%0.66962%0.619SS**  trans-58.5126.3161.900000106.2R106 T110R106-A108 PolarHBondContact O-N 3.45Å; A108-T110 VanDerWaalsContact C-N 3.25Å; A108-T110 PolarHBondContact O-N 3.41Å
109Q44.7Very low60.1Low164 Ų164130.9 Ų130.977%0.76666%0.657SS**  trans-76.981.2-174.4-67.6168-97.800109.2R107 H111R107-Q109 PolarHBondContact O-N 3.21Å; Q109-H111 PolarHBondContact O-N 3.24Å
110T39.5Very low57.5Low131 Ų131133.1 Ų133.180%0.80468%0.677SS**  trans-6784161.251.90000107.8A108 A112A108-T110 VanDerWaalsContact C-N 3.25Å; A108-T110 PolarHBondContact O-N 3.41Å; T110-A112 PolarHBondContact O-N 3.25Å; T110-A112 VanDerWaalsContact O-N 3.08Å
111H46.3Very low54.4Low143 Ų143132.3 Ų132.366%0.66270%0.697SS**  trans-60.6108.6164.4-82.7-104.2000107.3Q109 E113Q109-H111 PolarHBondContact O-N 3.24Å; H111-E113 HydrophobicContact CB-CG 4.49Å; H111-E113 PolarHBondContact O-N 3.13Å
112A45.1Very low51.6Low90 Ų90137.8 Ų137.874%0.74472%0.722SS**  trans-72.5106.5159.200000106.3T110 E114T110-A112 PolarHBondContact O-N 3.25Å; T110-A112 VanDerWaalsContact O-N 3.08Å; A112-E114 PolarHBondContact O-N 3.24Å
113E45.7Very low48.6Very low163 Ų163140.4 Ų140.476%0.76275%0.753SS**  trans-7873.6178.9-67.3-171.5131.200110.7H111 Q115H111-E113 HydrophobicContact CB-CG 4.49Å; H111-E113 PolarHBondContact O-N 3.13Å; E113-Q115 VanDerWaalsContact C-N 3.33Å; E113-Q115 PolarHBondContact O-N 3.38Å; E113-Q115 VanDerWaalsContact O-N 3.09Å
114E48.8Very low45.9Very low179 Ų179145.4 Ų145.484%0.83678%0.776SS**  trans-74.189.1160.1-71-167.3115.500109.3A112A112-E114 PolarHBondContact O-N 3.24Å
115Q42.1Very low43.9Very low172 Ų172148.9 Ų148.980%0.80480%0.798SS**  trans-114.3113.8164.1-68.2-168.513.300109.8E113E113-Q115 VanDerWaalsContact C-N 3.33Å; E113-Q115 PolarHBondContact O-N 3.38Å; E113-Q115 VanDerWaalsContact O-N 3.09Å
116Q44.2Very low42.2Very low154 Ų154145.5 Ų145.572%0.7279%0.794SS**  trans-98.7141.2171.1-63-171.811.500110.1
117Q41.1Very low41.5Very low153 Ų153140.6 Ų140.672%0.71579%0.786SS**  trans69.3138.5159.8-61168.45700115.2
118Q35.5Very low40.8Very low170 Ų170138.6 Ų138.679%0.79479%0.786SS**  cis-153.7-173.925.3-121150.360.800111.3
119T38.3Very low40.7Very low133 Ų133139.6 Ų139.682%0.81679%0.788SS**  trans-83.6162.7-173.853.90000114.4
120P42.5Very low40.7Very low132 Ų132137.3 Ų137.386%0.85779%0.787SS**  -144.9160.8102.639.3-26000114.9
121G31.8Very low40.3Very low76 Ų76140.3 Ų140.378%0.78479%0.785SS**  trans168.7124.6169.900000114.3
122N38.1Very low40.1Very low179 Ų179139.2 Ų139.296%0.95778%0.784SS**  trans-72.6148.8-179.6-91.2-14.6000112.9
123G34.8Very low40.2Very low74 Ų74141.5 Ų141.576%0.76378%0.779SS**  trans-76-174.1-170.200000117.9
124L36.5Very low39.9Very low182 Ų182142.9 Ų142.995%0.95378%0.777SS**  trans-157.7158.7139.5-105.1169.1000108.5
125S42.2Very low39.4Very low112 Ų112141.7 Ų141.778%0.78378%0.776SS**  trans-104.3138.3-177179.60000111.5
126S35.9Very low39.1Very low109 Ų109137.8 Ų137.876%0.76277%0.772SS**  trans-154.7141.9145.5-172.60000110.8
127N41.6Very low38.9Very low134 Ų134136.8 Ų136.872%0.71778%0.777SS**  trans-66.1153.2162.5-63.2-49.4000109.9
128H37.4Very low39.5Very low179 Ų179134.9 Ų134.983%0.82978%0.778SS**  -174.6139.3111.2-103.3-74.6000112.1
129S43.1Very low39.4Very low102 Ų102133 Ų13371%0.71378%0.778SS**  trans-118.1142157.5173.60000107.6
130P44.9Very low39.5Very low116 Ų116130.5 Ų130.575%0.75377%0.771SS**  trans-141.5111.5130.433.2-17.3000114.1
131Y31.6Very low39.3Very low195 Ų195133.1 Ų133.177%0.76577%0.771SS**  22.7127.1126.3-149.7-133.5000121.1
132L41.6Very low39.7Very low120 Ų120136 Ų13663%0.62877%0.765SS**  trans72.9154.2161.3-59.1179.4000117.5
133Q45.6Very low40.2Very low138 Ų138133.6 Ų133.665%0.64576%0.759SS**  cis-156-177.710.4-136.9179.3109.100108.9
134R41.2Very low40.6Very low191 Ų191137.6 Ų137.672%0.72176%0.755SS**  cis-162.9120.14.9-175.2177.6-165.9156.52.9113
135L37.4Very low40.8Very low155 Ų155136.6 Ų136.681%0.81275%0.751SS**  trans62.3155.3157.4-59.7170.8000117.9
136A36.4Very low40.9Very low89 Ų89142.9 Ų142.974%0.73676%0.757SS**  cis-148-178.824.200000114.9
137T39.3Very low40.9Very low133 Ų133141 Ų14182%0.81676%0.755SS**  trans-148-171-179.665.60000108.8
138P52.9Low41.1Very low114 Ų114144.6 Ų144.674%0.7476%0.764SS**  cis-133.3-141-1342.1-22.1000112.7
139V35.2Very low41.6Very low129 Ų129145.4 Ų145.478%0.78277%0.766SS**  trans103.598.1171.5-1780000113.2
140A40.3Very low41.5Very low81 Ų81148.3 Ų148.367%0.66977%0.768SS**  79.3142.462.600000113.6
141Q38Very low41.7Very low187 Ų187149 Ų14987%0.87477%0.77SS**  cis-160.7168.6-5.5-120.6170-6.300110.2
142E39.5Very low42.4Very low138 Ų138144.4 Ų144.465%0.64577%0.772SS**  trans-62.1158.7166.2-86.1-169.592.100111.9K144E142-K144 WeakPolarHBondContact OE1-CE 2.94Å; E142-K144 WeakPolarHBondContact OE1-CG 3.33Å; E142-K144 IonicContact OE1-NZ 3.72Å; E142-K144 PolarHBondContact OE1-NZ 2.99Å; E142-K144 IonicContact OE2-NZ 2.75Å; E142-K144 PolarHBondContact OE2-NZ 2.73Å
143P47.9Very low42.7Very low127 Ų127147.7 Ų147.783%0.82578%0.784SS**  -137.8143.5112.936.9-27000115.6
144K44.1Very low42.6Very low158 Ų158145.2 Ų145.269%0.68779%0.787SS**  trans-84.2149.9166.8-54.9171.4172.870.20110.3E142E142-K144 WeakPolarHBondContact OE1-CE 2.94Å; E142-K144 WeakPolarHBondContact OE1-CG 3.33Å; E142-K144 IonicContact OE1-NZ 3.72Å; E142-K144 PolarHBondContact OE1-NZ 2.99Å; E142-K144 IonicContact OE2-NZ 2.75Å; E142-K144 PolarHBondContact OE2-NZ 2.73Å
145N39.4Very low42.4Very low162 Ų162146.6 Ų146.687%0.86680%0.799SS**  trans-154.9172.7146.6-138.4-20.6000115.5
146R44.9Very low42.5Very low243 Ų243146.2 Ų146.292%0.91783%0.832SS**  trans-114.8161.2-170.1-66.1163155.1171.6-8.1113
147G36.3Very low42.8Very low70 Ų70149.1 Ų149.172%0.72284%0.837SS**  trans139.2118.316300000110.6
148K46.8Very low43Very low209 Ų209149.9 Ų149.991%0.90984%0.838SS**  cis609642.5-70.4-162.1174.7-168.40115.2
149K46Very low42.5Very low196 Ų196151.9 Ų151.985%0.85284%0.843SS**  -176.3167.3110.1-104.2-173.4173.6-167.60112.8
150E42.3Very low42.9Very low163 Ų163153.2 Ų153.276%0.76285%0.847SS**  trans-69.2165.8167.4-42.4104.992.300112.3
151V48.1Very low43.1Very low132 Ų132157.8 Ų157.880%0.886%0.858SS**  -164145.4109.81430000108.7
152A47.3Very low43.4Very low97 Ų97155.8 Ų155.880%0.80286%0.857SS**  trans-92.7146.4173.500000110.9
153Q47.4Very low43.7Very low190 Ų190157.1 Ų157.189%0.88887%0.872SS**  trans-147.8135.5168-137.3167.7-23.400110.2
154A42.7Very low43.4Very low85 Ų85159.4 Ų159.470%0.70288%0.876SS**  trans-99.5153.6176.300000110.4
155F38.3Very low43.3Very low220 Ų220159.5 Ų159.597%0.96589%0.892SS**  trans173.5142134.1-99.2-68.7000108.7
156G40Very low43.6Very low147 Ų147159.3 Ų159.3100%1.51589%0.894SS**  trans149.30-17200000110.2

Retrieved 156 of 156 residues in 45.4 ms (Link to these results)

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