A0A077Z6L5_TRITR Loading...

DnaJ domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6L5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M67.7Low76.8Confident98 Ų9899.2 Ų99.248%0.48347%0.474SS..  0141.50-152177.5-75.300110.5H4 K7 F19 F73M1-H4 HydrophobicContact CB-CB 4.43Å; M1-K7 WeakPolarHBondContact O-CD 3.02Å; M1-F19 HydrophobicContact CE-CE2 4.14Å; M1-F19 HydrophobicContact SD-CD2 3.58Å; M1-F19 VanDerWaalsContact SD-CD2 3.58Å; M1-F19 HydrophobicContact SD-CE2 3.4Å; M1-F19 WeakPolarHBondContact SD-CE2 3.48Å; M1-F73 HydrophobicContact CE-CD1 3.99Å; M1-F73 HydrophobicContact CE-CE1 3.41Å; M1-F73 VanDerWaalsContact CE-CE1 3.41Å; M1-F73 HydrophobicContact CE-CE2 4.28Å; M1-F73 HydrophobicContact CE-CZ 3.6Å; M1-F73 HydrophobicContact SD-CZ 4.21Å
2R79.1Confident76.7Confident208 Ų208100.5 Ų100.579%0.78548%0.476SS*.  trans-76.1-39.6-177.3-74.7-177.668.9177.40.7113.4H4 N8R2-H4 VanDerWaalsContact C-N 3.31Å; R2-H4 PolarHBondContact O-N 3.07Å; R2-N8 PolarHBondContact O-ND2 3.42Å
3W80.8Confident76.9Confident61 Ų61102 Ų10223%0.23150%0.495CS..SBendtrans-95.925.9-175-61.5108.9000113.3N8 E14 A15 K18 I22W3-N8 WeakPolarHBondContact CA-ND2 3.14Å; W3-E14 HydrophobicContact CH2-CG 4.43Å; W3-E14 HydrophobicContact CZ3-CG 4.18Å; W3-A15 HydrophobicContact CE3-CB 3.99Å; W3-K18 HydrophobicContact CB-CB 3.96Å; W3-K18 HydrophobicContact CD2-CB 3.49Å; W3-K18 VanDerWaalsContact CD2-CB 3.49Å; W3-K18 HydrophobicContact CD2-CG 3.8Å; W3-K18 HydrophobicContact CE3-CB 3.95Å; W3-K18 HydrophobicContact CE3-CG 4.02Å; W3-K18 HydrophobicContact CG-CB 3.53Å; W3-K18 HydrophobicContact CG-CG 4.34Å; W3-K18 HydrophobicContact CH2-CG 3.97Å; W3-K18 HydrophobicContact CZ2-CB 4.4Å; W3-K18 HydrophobicContact CZ2-CD 4Å; W3-K18 HydrophobicContact CZ2-CG 3.81Å; W3-K18 HydrophobicContact CZ3-CG 4.09Å; W3-I22 HydrophobicContact CB-CD1 4.49Å; W3-I22 HydrophobicContact CG-CD1 4.22Å
4H73.9Confident77.5Confident47 Ų47101.1 Ų101.122%0.21849%0.49CS..  trans-71138.7177.6-167.4-94.2000109.8M1 R2 D6 K7 N8M1-H4 HydrophobicContact CB-CB 4.43Å; R2-H4 VanDerWaalsContact C-N 3.31Å; R2-H4 PolarHBondContact O-N 3.07Å; H4-D6 WeakPolarHBondContact ND1-CB 3.47Å; H4-D6 PolarHBondContact ND1-N 2.9Å; H4-D6 VanDerWaalsContact ND1-N 3.2Å; H4-D6 PolarHBondContact O-N 3.21Å; H4-K7 HydrophobicContact CB-CB 4.47Å; H4-K7 HydrophobicContact CB-CG 4.31Å; H4-K7 PolarHBondContact O-N 3.35Å; H4-N8 PolarHBondContact O-N 3.24Å; H4-N8 PolarHBondContact O-ND2 2.69Å
5P69.7Low77.7Confident59 Ų5994.4 Ų94.438%0.38346%0.457SS..THydrogen-bonded Turntrans-58.3-30.7-179.120.4-32.6000113.2N8P5-N8 CarbonylContact O-C 3.6Å; P5-N8 PolarHBondContact O-N 3.44Å
6D75.6Confident77.3Confident122 Ų12294.2 Ų94.265%0.65246%0.455SS*.THydrogen-bonded Turntrans-67.1-37173.7-17152.8000113.3H4 N8H4-D6 WeakPolarHBondContact ND1-CB 3.47Å; H4-D6 PolarHBondContact ND1-N 2.9Å; H4-D6 VanDerWaalsContact ND1-N 3.2Å; H4-D6 PolarHBondContact O-N 3.21Å; D6-N8 VanDerWaalsContact C-N 3.31Å; D6-N8 PolarHBondContact O-N 3.48Å
7K79.5Confident77.6Confident139 Ų13996.5 Ų96.560%0.60446%0.463SS*.THydrogen-bonded Turntrans-82.1-11.8-180-62.8-159.6-176-161.90113.3M1 H4 P9M1-K7 WeakPolarHBondContact O-CD 3.02Å; H4-K7 HydrophobicContact CB-CB 4.47Å; H4-K7 HydrophobicContact CB-CG 4.31Å; H4-K7 PolarHBondContact O-N 3.35Å; K7-P9 WeakPolarHBondContact O-CD 3.12Å
8N79.9Confident78Confident33 Ų3394.9 Ų94.918%0.17645%0.453CS..  trans-12654.9-176.8-59.7-85.1000111.3R2 W3 H4 P5 D6 H10 N11 K12 A15R2-N8 PolarHBondContact O-ND2 3.42Å; W3-N8 WeakPolarHBondContact CA-ND2 3.14Å; H4-N8 PolarHBondContact O-N 3.24Å; H4-N8 PolarHBondContact O-ND2 2.69Å; P5-N8 CarbonylContact O-C 3.6Å; P5-N8 PolarHBondContact O-N 3.44Å; D6-N8 VanDerWaalsContact C-N 3.31Å; D6-N8 PolarHBondContact O-N 3.48Å; N8-H10 PolarHBondContact O-N 3.3Å; N8-N11 CarbonylContact O-C 3.56Å; N8-N11 PolarHBondContact O-N 2.96Å; N8-N11 VanDerWaalsContact O-N 3.12Å; N8-K12 VanDerWaalsContact O-CG 3.23Å; N8-K12 WeakPolarHBondContact O-CG 3.15Å; N8-K12 PolarHBondContact O-N 3.42Å; N8-A15 HydrophobicContact CB-CB 3.45Å; N8-A15 VanDerWaalsContact CB-CB 3.45Å
9P75.8Confident78.2Confident70 Ų7091 Ų9146%0.45543%0.434SS..THydrogen-bonded Turntrans-63.6-27.3-175.927-34.6000112.7K7 K12K7-P9 WeakPolarHBondContact O-CD 3.12Å; P9-K12 WeakPolarHBondContact O-CE 3.05Å
10H79.9Confident78.4Confident190 Ų19093.1 Ų93.188%0.8844%0.441SS*.THydrogen-bonded Turntrans-93-11.2179.1-55.1-61.4000113.9N8N8-H10 PolarHBondContact O-N 3.3Å
11N82.7Confident78.7Confident64 Ų6492.2 Ų92.234%0.34244%0.437SS..  trans-136.347.8-178-163.96.6000111.4N8 V13 E14 A15N8-N11 CarbonylContact O-C 3.56Å; N8-N11 PolarHBondContact O-N 2.96Å; N8-N11 VanDerWaalsContact O-N 3.12Å; N11-V13 VanDerWaalsContact C-N 3.33Å; N11-V13 PolarHBondContact O-N 3.34Å; N11-E14 PolarHBondContact ND2-OE2 2.9Å; N11-E14 PolarHBondContact O-N 3.32Å; N11-E14 WeakPolarHBondContact OD1-CB 3.46Å; N11-A15 VanDerWaalsContact O-CB 3.25Å; N11-A15 WeakPolarHBondContact O-CB 2.83Å; N11-A15 PolarHBondContact O-N 3.46Å
12K76.4Confident79.6Confident115 Ų11590.7 Ų90.750%0.543%0.43SS..Hα-helixtrans-62-41.6-173.8-66.7-175.5178.7-173.40111.9N8 P9 A15 E16N8-K12 VanDerWaalsContact O-CG 3.23Å; N8-K12 WeakPolarHBondContact O-CG 3.15Å; N8-K12 PolarHBondContact O-N 3.42Å; P9-K12 WeakPolarHBondContact O-CE 3.05Å; K12-A15 PolarHBondContact O-N 3.31Å; K12-E16 WeakPolarHBondContact O-CB 3.35Å; K12-E16 PolarHBondContact O-N 3.2Å
13V79.3Confident79.7Confident120 Ų12081 Ų8173%0.72740%0.395SS*.Hα-helixtrans-62.2-47-178.2-178.30000111.6N11 K17N11-V13 VanDerWaalsContact C-N 3.33Å; N11-V13 PolarHBondContact O-N 3.34Å; V13-K17 WeakPolarHBondContact O-CB 2.91Å; V13-K17 PolarHBondContact O-N 3.17Å; V13-K17 VanDerWaalsContact O-N 3.1Å
14E84.3Confident79.8Confident90 Ų9081.4 Ų81.442%0.42140%0.399SS..Hα-helixtrans-69.7-40.2177.6-167.4-177.7164.100111.2W3 N11 E16 K17 K18W3-E14 HydrophobicContact CH2-CG 4.43Å; W3-E14 HydrophobicContact CZ3-CG 4.18Å; N11-E14 PolarHBondContact ND2-OE2 2.9Å; N11-E14 PolarHBondContact O-N 3.32Å; N11-E14 WeakPolarHBondContact OD1-CB 3.46Å; E14-E16 VanDerWaalsContact C-N 3.34Å; E14-E16 PolarHBondContact O-N 3.37Å; E14-K17 PolarHBondContact O-N 3.18Å; E14-K18 HydrophobicContact CG-CG 4.43Å; E14-K18 WeakPolarHBondContact O-CB 3.33Å; E14-K18 VanDerWaalsContact O-CG 3.22Å; E14-K18 WeakPolarHBondContact O-CG 3.41Å; E14-K18 PolarHBondContact O-N 2.85Å
15A80.7Confident80.4Confident0 Ų081.2 Ų81.20%041%0.406CS..Hα-helixtrans-63.1-40.2178.700000112.6W3 N8 N11 K12 K18 F19W3-A15 HydrophobicContact CE3-CB 3.99Å; N8-A15 HydrophobicContact CB-CB 3.45Å; N8-A15 VanDerWaalsContact CB-CB 3.45Å; N11-A15 VanDerWaalsContact O-CB 3.25Å; N11-A15 WeakPolarHBondContact O-CB 2.83Å; N11-A15 PolarHBondContact O-N 3.46Å; K12-A15 PolarHBondContact O-N 3.31Å; A15-K18 PolarHBondContact O-N 2.81Å; A15-F19 VanDerWaalsContact O-CB 3.27Å; A15-F19 WeakPolarHBondContact O-CB 2.86Å; A15-F19 PolarHBondContact O-N 2.88Å
16E72.3Confident81Confident91 Ų9182.1 Ų82.143%0.42540%0.402SS..Hα-helixtrans-66.2-47.5176.1-175.8-179.6166.700111.6K12 E14 K18 F19 K20K12-E16 WeakPolarHBondContact O-CB 3.35Å; K12-E16 PolarHBondContact O-N 3.2Å; E14-E16 VanDerWaalsContact C-N 3.34Å; E14-E16 PolarHBondContact O-N 3.37Å; E16-K18 VanDerWaalsContact C-N 3.26Å; E16-K18 PolarHBondContact O-N 3.22Å; E16-F19 WeakPolarHBondContact O-CB 3.3Å; E16-F19 PolarHBondContact O-N 3.32Å; E16-F19 VanDerWaalsContact O-N 3.11Å; E16-K20 PolarHBondContact O-N 2.98Å
17K82.4Confident81.3Confident134 Ų13477.4 Ų77.458%0.58338%0.376SS*.Hα-helixtrans-55.4-46.1174.3-176179.4178.7-178.10110.8V13 E14 K20 E21V13-K17 WeakPolarHBondContact O-CB 2.91Å; V13-K17 PolarHBondContact O-N 3.17Å; V13-K17 VanDerWaalsContact O-N 3.1Å; E14-K17 PolarHBondContact O-N 3.18Å; K17-K20 PolarHBondContact O-N 2.94Å; K17-E21 WeakPolarHBondContact CE-OE1 3.4Å; K17-E21 WeakPolarHBondContact O-CB 3.11Å; K17-E21 VanDerWaalsContact O-CG 3.28Å; K17-E21 WeakPolarHBondContact O-CG 3.37Å; K17-E21 PolarHBondContact O-N 3.5Å
18K84.7Confident81.5Confident67 Ų6771.3 Ų71.329%0.29135%0.35SS..Hα-helixtrans-66.4-38.6177.3-72.5-76.6164.6-146.50112.5W3 E14 A15 E16 E21 I22W3-K18 HydrophobicContact CB-CB 3.96Å; W3-K18 HydrophobicContact CD2-CB 3.49Å; W3-K18 VanDerWaalsContact CD2-CB 3.49Å; W3-K18 HydrophobicContact CD2-CG 3.8Å; W3-K18 HydrophobicContact CE3-CB 3.95Å; W3-K18 HydrophobicContact CE3-CG 4.02Å; W3-K18 HydrophobicContact CG-CB 3.53Å; W3-K18 HydrophobicContact CG-CG 4.34Å; W3-K18 HydrophobicContact CH2-CG 3.97Å; W3-K18 HydrophobicContact CZ2-CB 4.4Å; W3-K18 HydrophobicContact CZ2-CD 4Å; W3-K18 HydrophobicContact CZ2-CG 3.81Å; W3-K18 HydrophobicContact CZ3-CG 4.09Å; E14-K18 HydrophobicContact CG-CG 4.43Å; E14-K18 WeakPolarHBondContact O-CB 3.33Å; E14-K18 VanDerWaalsContact O-CG 3.22Å; E14-K18 WeakPolarHBondContact O-CG 3.41Å; E14-K18 PolarHBondContact O-N 2.85Å; A15-K18 PolarHBondContact O-N 2.81Å; E16-K18 VanDerWaalsContact C-N 3.26Å; E16-K18 PolarHBondContact O-N 3.22Å; K18-E21 IonicContact NZ-OE2 3.87Å; K18-E21 PolarHBondContact NZ-OE2 3.3Å; K18-E21 PolarHBondContact O-N 3.01Å; K18-I22 WeakPolarHBondContact O-CB 3.31Å; K18-I22 VanDerWaalsContact O-CD1 3.3Å; K18-I22 WeakPolarHBondContact O-CD1 3.47Å; K18-I22 WeakPolarHBondContact O-CG1 3.19Å; K18-I22 PolarHBondContact O-N 3.36Å
19F81.5Confident81.9Confident21 Ų2174.6 Ų74.69%0.09237%0.367CS..Hα-helixtrans-62.1-45.2177.1-178.2-96.7000111M1 A15 E16 I22 S23 P69 F73M1-F19 HydrophobicContact CE-CE2 4.14Å; M1-F19 HydrophobicContact SD-CD2 3.58Å; M1-F19 VanDerWaalsContact SD-CD2 3.58Å; M1-F19 HydrophobicContact SD-CE2 3.4Å; M1-F19 WeakPolarHBondContact SD-CE2 3.48Å; A15-F19 VanDerWaalsContact O-CB 3.27Å; A15-F19 WeakPolarHBondContact O-CB 2.86Å; A15-F19 PolarHBondContact O-N 2.88Å; E16-F19 WeakPolarHBondContact O-CB 3.3Å; E16-F19 PolarHBondContact O-N 3.32Å; E16-F19 VanDerWaalsContact O-N 3.11Å; F19-I22 PolarHBondContact O-N 2.96Å; F19-S23 PolarHBondContact O-N 3.36Å; F19-S23 PolarHBondContact O-OG 3.34Å; F19-P69 HydrophobicContact CD1-CB 4.45Å; F19-P69 HydrophobicContact CE1-CB 3.8Å; F19-F73 HydrophobicContact CD2-CE2 4.44Å; F19-F73 HydrophobicContact CE1-CD2 4.39Å; F19-F73 HydrophobicContact CE1-CE2 4Å; F19-F73 HydrophobicContact CE2-CD2 4.19Å; F19-F73 AromaticContact CE2-CE2 3.6Å; F19-F73 HydrophobicContact CE2-CE2 3.6Å; F19-F73 HydrophobicContact CE2-CZ 4.16Å; F19-F73 AromaticContact CZ-CD2 3.63Å; F19-F73 HydrophobicContact CZ-CD2 3.63Å; F19-F73 AromaticContact CZ-CE2 3.33Å; F19-F73 HydrophobicContact CZ-CE2 3.33Å; F19-F73 HydrophobicContact CZ-CZ 4.32Å
20K83Confident82.2Confident132 Ų13274.4 Ų74.457%0.57437%0.367SS*.Hα-helixtrans-63.2-47.3175.8-173.4174.7-177.6173.40112.4E16 K17 I22 S23 E24E16-K20 PolarHBondContact O-N 2.98Å; K17-K20 PolarHBondContact O-N 2.94Å; K20-I22 VanDerWaalsContact C-N 3.26Å; K20-I22 PolarHBondContact O-N 2.8Å; K20-S23 WeakPolarHBondContact CA-OG 3.27Å; K20-S23 PolarHBondContact O-N 3.05Å; K20-S23 PolarHBondContact O-OG 2.79Å; K20-E24 WeakPolarHBondContact O-CB 3.44Å; K20-E24 PolarHBondContact O-N 3.27Å
21E84.6Confident82.5Confident75 Ų7567.2 Ų67.235%0.3534%0.336SS..Hα-helixtrans-57.7-40.4175.1-75.2172.2-170.900111.4K17 K18 A25K17-E21 WeakPolarHBondContact CE-OE1 3.4Å; K17-E21 WeakPolarHBondContact O-CB 3.11Å; K17-E21 VanDerWaalsContact O-CG 3.28Å; K17-E21 WeakPolarHBondContact O-CG 3.37Å; K17-E21 PolarHBondContact O-N 3.5Å; K18-E21 IonicContact NZ-OE2 3.87Å; K18-E21 PolarHBondContact NZ-OE2 3.3Å; K18-E21 PolarHBondContact O-N 3.01Å; E21-A25 VanDerWaalsContact O-CB 3.27Å; E21-A25 WeakPolarHBondContact O-CB 3.38Å; E21-A25 PolarHBondContact O-N 2.93Å
22I85.5Confident82.7Confident66 Ų6668.4 Ų68.434%0.33835%0.347SS..Hα-helixtrans-69.8-42.2179.6-71.2163.1000111.4W3 K18 F19 K20 A25 Y26W3-I22 HydrophobicContact CB-CD1 4.49Å; W3-I22 HydrophobicContact CG-CD1 4.22Å; K18-I22 WeakPolarHBondContact O-CB 3.31Å; K18-I22 VanDerWaalsContact O-CD1 3.3Å; K18-I22 WeakPolarHBondContact O-CD1 3.47Å; K18-I22 WeakPolarHBondContact O-CG1 3.19Å; K18-I22 PolarHBondContact O-N 3.36Å; F19-I22 PolarHBondContact O-N 2.96Å; K20-I22 VanDerWaalsContact C-N 3.26Å; K20-I22 PolarHBondContact O-N 2.8Å; I22-A25 PolarHBondContact O-N 3.14Å; I22-Y26 VanDerWaalsContact O-CB 3.23Å; I22-Y26 WeakPolarHBondContact O-CB 3.23Å; I22-Y26 PolarHBondContact O-N 2.83Å
23S81.7Confident83Confident6 Ų667 Ų674%0.04235%0.345CS..Hα-helixtrans-64-41.617749.60000112.1F19 K20 Y26 E27 P69F19-S23 PolarHBondContact O-N 3.36Å; F19-S23 PolarHBondContact O-OG 3.34Å; K20-S23 WeakPolarHBondContact CA-OG 3.27Å; K20-S23 PolarHBondContact O-N 3.05Å; K20-S23 PolarHBondContact O-OG 2.79Å; S23-Y26 PolarHBondContact O-N 3.08Å; S23-E27 PolarHBondContact O-N 2.82Å; S23-P69 WeakPolarHBondContact OG-CB 3.47Å; S23-P69 WeakPolarHBondContact OG-CG 3.36Å
24E83Confident83.2Confident68 Ų6862.8 Ų62.832%0.31832%0.317SS..Hα-helixtrans-64.5-47.7176.4168.9167.7-166.100111K20 Y26 E27 V28 F66K20-E24 WeakPolarHBondContact O-CB 3.44Å; K20-E24 PolarHBondContact O-N 3.27Å; E24-Y26 VanDerWaalsContact C-N 3.28Å; E24-Y26 PolarHBondContact O-N 2.8Å; E24-E27 PolarHBondContact O-N 2.98Å; E24-V28 WeakPolarHBondContact O-CG2 3.23Å; E24-V28 PolarHBondContact O-N 2.86Å; E24-V28 VanDerWaalsContact O-N 3.11Å; E24-F66 HydrophobicContact CG-CE1 3.92Å
25A86Confident83.4Confident44 Ų4464.7 Ų64.736%0.36432%0.32SS..Hα-helixtrans-60.7-39.417600000111.8E21 I22 V28 L29E21-A25 VanDerWaalsContact O-CB 3.27Å; E21-A25 WeakPolarHBondContact O-CB 3.38Å; E21-A25 PolarHBondContact O-N 2.93Å; I22-A25 PolarHBondContact O-N 3.14Å; A25-V28 PolarHBondContact O-N 3.12Å; A25-L29 VanDerWaalsContact O-CB 3.23Å; A25-L29 WeakPolarHBondContact O-CB 3.42Å; A25-L29 WeakPolarHBondContact O-CG 3.42Å; A25-L29 PolarHBondContact O-N 3.24Å
26Y82.4Confident83.7Confident78 Ų7867.3 Ų67.331%0.30634%0.336SS..Hα-helixtrans-64.6-44.6177.7-176.3-94.9000111.7I22 S23 E24 V28 L29 S30 V72 F76I22-Y26 VanDerWaalsContact O-CB 3.23Å; I22-Y26 WeakPolarHBondContact O-CB 3.23Å; I22-Y26 PolarHBondContact O-N 2.83Å; S23-Y26 PolarHBondContact O-N 3.08Å; E24-Y26 VanDerWaalsContact C-N 3.28Å; E24-Y26 PolarHBondContact O-N 2.8Å; Y26-V28 VanDerWaalsContact C-N 3.3Å; Y26-V28 PolarHBondContact O-N 3.49Å; Y26-L29 PolarHBondContact O-N 2.63Å; Y26-S30 WeakPolarHBondContact O-CB 3.39Å; Y26-S30 PolarHBondContact O-N 3.46Å; Y26-S30 PolarHBondContact O-OG 2.72Å; Y26-V72 HydrophobicContact CD1-CG1 3.71Å; Y26-V72 HydrophobicContact CE1-CG1 4.19Å; Y26-F76 HydrophobicContact CE1-CD2 4.46Å; Y26-F76 HydrophobicContact CE1-CG 4.5Å; Y26-F76 AromaticContact CZ-CD2 3.97Å; Y26-F76 WeakPolarHBondContact OH-CD2 3.48Å; Y26-F76 WeakPolarHBondContact OH-CE2 3.27Å
27E82.2Confident84.3Confident22 Ų2264.8 Ų64.810%0.10333%0.325CS..Hα-helixtrans-58.9-42.7177.3-168.5-172.2157.500111.7S23 E24 S30 K34S23-E27 PolarHBondContact O-N 2.82Å; E24-E27 PolarHBondContact O-N 2.98Å; E27-S30 PolarHBondContact O-OG 2.68Å; E27-K34 IonicContact OE1-NZ 3.75Å; E27-K34 PolarHBondContact OE1-NZ 2.85Å
28V84.1Confident84.4Confident11 Ų1163.4 Ų63.47%0.06732%0.317CS..Hα-helixtrans-72.1-41.2179.61760000112.2E24 A25 Y26 K34 R35 Y38 L46E24-V28 WeakPolarHBondContact O-CG2 3.23Å; E24-V28 PolarHBondContact O-N 2.86Å; E24-V28 VanDerWaalsContact O-N 3.11Å; A25-V28 PolarHBondContact O-N 3.12Å; Y26-V28 VanDerWaalsContact C-N 3.3Å; Y26-V28 PolarHBondContact O-N 3.49Å; V28-K34 HydrophobicContact CG1-CB 4.46Å; V28-K34 WeakPolarHBondContact O-CB 3.42Å; V28-R35 PolarHBondContact O-N 2.84Å; V28-R35 VanDerWaalsContact O-N 3.08Å; V28-Y38 HydrophobicContact CG1-CD2 4.2Å; V28-Y38 HydrophobicContact CG1-CG 3.93Å; V28-L46 HydrophobicContact CB-CD1 4.34Å; V28-L46 HydrophobicContact CG1-CD1 3.96Å; V28-L46 HydrophobicContact CG1-CD2 4.38Å; V28-L46 HydrophobicContact CG2-CD1 3.36Å; V28-L46 HydrophobicContact CG2-CD2 4.33Å; V28-L46 HydrophobicContact CG2-CG 4.49Å
29L86.7Confident84.6Confident103 Ų10365.5 Ų65.554%0.53933%0.331SS..Hα-helixtrans-82.7-22.8-174.9-67.1174.2000113.5A25 Y26 R35A25-L29 VanDerWaalsContact O-CB 3.23Å; A25-L29 WeakPolarHBondContact O-CB 3.42Å; A25-L29 WeakPolarHBondContact O-CG 3.42Å; A25-L29 PolarHBondContact O-N 3.24Å; Y26-L29 PolarHBondContact O-N 2.63Å; L29-R35 HydrophobicContact CD2-CG 4.33Å
30S84Confident84.8Confident65 Ų6573 Ų7346%0.45536%0.359SS..Hα-helixtrans-74.9-32.617956.20000112.8Y26 E27Y26-S30 WeakPolarHBondContact O-CB 3.39Å; Y26-S30 PolarHBondContact O-N 3.46Å; Y26-S30 PolarHBondContact O-OG 2.72Å; E27-S30 PolarHBondContact O-OG 2.68Å
31D84.4Confident84.8Confident40 Ų4074 Ų7421%0.21436%0.36CS..SBendtrans-94.3117.5175.4-177.4-16.4000110.7N33 K34 R35D31-N33 PolarHBondContact O-N 2.72Å; D31-N33 VanDerWaalsContact O-N 3.14Å; D31-N33 VanDerWaalsContact OD1-CB 3.3Å; D31-N33 WeakPolarHBondContact OD1-CB 3.1Å; D31-N33 PolarHBondContact OD1-N 2.75Å; D31-N33 PolarHBondContact OD1-ND2 3.02Å; D31-K34 HydrophobicContact CB-CB 3.98Å; D31-K34 HydrophobicContact CB-CD 4.03Å; D31-K34 HydrophobicContact CB-CG 3.7Å; D31-K34 PolarHBondContact O-N 2.77Å; D31-K34 VanDerWaalsContact O-N 3.14Å; D31-R35 WeakPolarHBondContact O-CB 3.34Å; D31-R35 PolarHBondContact O-N 2.79Å
32P87Confident84.8Confident89 Ų8971.8 Ų71.858%0.57836%0.357SS*.Hα-helixtrans-58.2-28.6179.924.6-34.4000113.2T36P32-T36 WeakPolarHBondContact O-CB 3.46Å; P32-T36 PolarHBondContact O-N 3.17Å; P32-T36 PolarHBondContact O-OG1 2.84Å
33N83.8Confident84.4Confident85 Ų8571.2 Ų71.246%0.45536%0.357SS..Hα-helixtrans-74.9-44.4177.8-59.5-53.6000111.3D31 R35 T36 L37 F61D31-N33 PolarHBondContact O-N 2.72Å; D31-N33 VanDerWaalsContact O-N 3.14Å; D31-N33 VanDerWaalsContact OD1-CB 3.3Å; D31-N33 WeakPolarHBondContact OD1-CB 3.1Å; D31-N33 PolarHBondContact OD1-N 2.75Å; D31-N33 PolarHBondContact OD1-ND2 3.02Å; N33-R35 VanDerWaalsContact C-N 3.33Å; N33-R35 PolarHBondContact O-N 2.78Å; N33-T36 PolarHBondContact O-N 2.84Å; N33-L37 WeakPolarHBondContact O-CG 3.09Å; N33-L37 PolarHBondContact O-N 3.34Å; N33-F61 HydrophobicContact CB-CE2 3.48Å; N33-F61 VanDerWaalsContact CB-CE2 3.48Å; N33-F61 HydrophobicContact CB-CZ 3.53Å
34K84Confident84.1Confident31 Ų3176.7 Ų76.714%0.13539%0.386CS..Hα-helixtrans-62-43.2176-63.7-165.9179.1172.20111.2E27 V28 D31 T36 L37 Y38 L46 F64E27-K34 IonicContact OE1-NZ 3.75Å; E27-K34 PolarHBondContact OE1-NZ 2.85Å; V28-K34 HydrophobicContact CG1-CB 4.46Å; V28-K34 WeakPolarHBondContact O-CB 3.42Å; D31-K34 HydrophobicContact CB-CB 3.98Å; D31-K34 HydrophobicContact CB-CD 4.03Å; D31-K34 HydrophobicContact CB-CG 3.7Å; D31-K34 PolarHBondContact O-N 2.77Å; D31-K34 VanDerWaalsContact O-N 3.14Å; K34-T36 VanDerWaalsContact C-N 3.34Å; K34-T36 PolarHBondContact O-N 2.04Å; K34-L37 PolarHBondContact O-N 3.49Å; K34-Y38 WeakPolarHBondContact O-CB 3.26Å; K34-Y38 PolarHBondContact O-N 2.8Å; K34-L46 HydrophobicContact CB-CD2 4.18Å; K34-F64 HydrophobicContact CD-CE1 3.99Å; K34-F64 HydrophobicContact CG-CE1 3.8Å; K34-F64 HydrophobicContact CG-CZ 4.47Å
35R87.9Confident83.6Confident131 Ų13173.9 Ų73.949%0.49438%0.375SS..Hα-helixtrans-58-47.8173.6-178176175.8175.30.5111.4V28 L29 D31 N33 L37 Y38 D39V28-R35 PolarHBondContact O-N 2.84Å; V28-R35 VanDerWaalsContact O-N 3.08Å; L29-R35 HydrophobicContact CD2-CG 4.33Å; D31-R35 WeakPolarHBondContact O-CB 3.34Å; D31-R35 PolarHBondContact O-N 2.79Å; N33-R35 VanDerWaalsContact C-N 3.33Å; N33-R35 PolarHBondContact O-N 2.78Å; R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 3.25Å; R35-Y38 PolarHBondContact O-N 3.1Å; R35-D39 WeakPolarHBondContact O-CB 3.34Å; R35-D39 PolarHBondContact O-N 2.93Å
36T86.1Confident82.9Confident55 Ų5572.2 Ų72.234%0.33736%0.36SS..Hα-helixtrans-63.1-37.5178.7-600000112.5P32 N33 K34 R40P32-T36 WeakPolarHBondContact O-CB 3.46Å; P32-T36 PolarHBondContact O-N 3.17Å; P32-T36 PolarHBondContact O-OG1 2.84Å; N33-T36 PolarHBondContact O-N 2.84Å; K34-T36 VanDerWaalsContact C-N 3.34Å; K34-T36 PolarHBondContact O-N 2.04Å; T36-R40 WeakPolarHBondContact O-CG 3.49Å; T36-R40 PolarHBondContact O-N 3.06Å
37L84.5Confident82.1Confident38 Ų3874.4 Ų74.420%0.19937%0.371CS..Hα-helixtrans-66.6-46.3174.7-75.5169.8000111.6N33 K34 R35 D39 R40 Y41 L46 F64N33-L37 WeakPolarHBondContact O-CG 3.09Å; N33-L37 PolarHBondContact O-N 3.34Å; K34-L37 PolarHBondContact O-N 3.49Å; R35-L37 VanDerWaalsContact C-N 3.32Å; R35-L37 PolarHBondContact O-N 3.25Å; L37-D39 VanDerWaalsContact C-N 3.34Å; L37-D39 PolarHBondContact O-N 2.81Å; L37-R40 PolarHBondContact O-N 3.1Å; L37-Y41 HydrophobicContact CD2-CD2 4.28Å; L37-Y41 HydrophobicContact CD2-CE2 4.44Å; L37-Y41 PolarHBondContact O-N 3.08Å; L37-L46 HydrophobicContact CB-CD2 4.44Å; L37-F64 HydrophobicContact CD1-CZ 3.89Å
38Y85.6Confident80.9Confident105 Ų10576.1 Ų76.141%0.41239%0.389SS..Hα-helixtrans-60.6-42.4175.9-175.3-94.6000111.9V28 K34 R35 R40 G42 V43 L46V28-Y38 HydrophobicContact CG1-CD2 4.2Å; V28-Y38 HydrophobicContact CG1-CG 3.93Å; K34-Y38 WeakPolarHBondContact O-CB 3.26Å; K34-Y38 PolarHBondContact O-N 2.8Å; R35-Y38 PolarHBondContact O-N 3.1Å; Y38-R40 VanDerWaalsContact C-N 3.25Å; Y38-R40 PolarHBondContact O-N 3.39Å; Y38-G42 WeakPolarHBondContact O-CA 3.32Å; Y38-G42 PolarHBondContact O-N 3.23Å; Y38-V43 HydrophobicContact CE2-CG2 3.72Å; Y38-L46 HydrophobicContact CD2-CD1 3.53Å; Y38-L46 HydrophobicContact CD2-CG 4.23Å; Y38-L46 HydrophobicContact CE2-CD1 4.34Å; Y38-L46 HydrophobicContact CG-CD1 4.34Å
39D87.9Confident79.5Confident110 Ų11080.3 Ų80.359%0.58841%0.411SS*.Hα-helixtrans-64-29.6178.5-71.1-17.3000112.3R35 L37R35-D39 WeakPolarHBondContact O-CB 3.34Å; R35-D39 PolarHBondContact O-N 2.93Å; L37-D39 VanDerWaalsContact C-N 3.34Å; L37-D39 PolarHBondContact O-N 2.81Å
40R85.5Confident77.6Confident180 Ų18078.2 Ų78.268%0.67941%0.414SS*.Hα-helixtrans-90.2-39.1-179.5-70.6-179-153.3-171.77114.3T36 L37 Y38T36-R40 WeakPolarHBondContact O-CG 3.49Å; T36-R40 PolarHBondContact O-N 3.06Å; L37-R40 PolarHBondContact O-N 3.1Å; Y38-R40 VanDerWaalsContact C-N 3.25Å; Y38-R40 PolarHBondContact O-N 3.39Å
41Y84.4Confident75.4Confident152 Ų15277 Ų7760%0.59641%0.412SS*.Hα-helixtrans-127.30.4-166-62.3-68.9000113.1L37 G45L37-Y41 HydrophobicContact CD2-CD2 4.28Å; L37-Y41 HydrophobicContact CD2-CE2 4.44Å; L37-Y41 PolarHBondContact O-N 3.08Å; Y41-G45 VanDerWaalsContact CB-CA 3.44Å; Y41-G45 PolarHBondContact O-N 2.87Å
42G84.6Confident73Confident28 Ų2879.9 Ų79.929%0.28944%0.441SS..Hα-helixtrans65.5-159.1-175.700000113.3Y38 D44 G45Y38-G42 WeakPolarHBondContact O-CA 3.32Å; Y38-G42 PolarHBondContact O-N 3.23Å; G42-D44 PolarHBondContact O-N 3.31Å; G42-G45 PolarHBondContact O-N 3.25Å; G42-G45 VanDerWaalsContact O-N 3.1Å
43V77.3Confident70.8Confident54 Ų5483.9 Ų83.933%0.32745%0.452SS..Hα-helixtrans-58.2-32.2176.2-174.60000111.2Y38 G45 L46 K47Y38-V43 HydrophobicContact CE2-CG2 3.72Å; V43-G45 VanDerWaalsContact C-N 3.3Å; V43-G45 PolarHBondContact O-N 3.41Å; V43-L46 WeakPolarHBondContact O-CB 3.2Å; V43-L46 PolarHBondContact O-N 2.83Å; V43-K47 HydrophobicContact CG1-CD 4.27Å; V43-K47 PolarHBondContact O-N 2.99Å; V43-K47 VanDerWaalsContact O-N 3.15Å
44D75.4Confident68.5Low122 Ų12283.2 Ų83.265%0.65247%0.465SS*.Hα-helixtrans-65.1-34.9179.2-64.1-30.6000111.6G42 L46 K47 A48G42-D44 PolarHBondContact O-N 3.31Å; D44-L46 VanDerWaalsContact C-N 3.32Å; D44-L46 PolarHBondContact O-N 2.75Å; D44-K47 PolarHBondContact O-N 2.75Å; D44-A48 WeakPolarHBondContact O-CB 3.27Å; D44-A48 PolarHBondContact O-N 3.25Å
45G71.4Confident66.1Low8 Ų886.4 Ų86.48%0.08250%0.497CS..Hα-helixtrans-65.5-31.9173.900000114.6Y41 G42 V43Y41-G45 VanDerWaalsContact CB-CA 3.44Å; Y41-G45 PolarHBondContact O-N 2.87Å; G42-G45 PolarHBondContact O-N 3.25Å; G42-G45 VanDerWaalsContact O-N 3.1Å; V43-G45 VanDerWaalsContact C-N 3.3Å; V43-G45 PolarHBondContact O-N 3.41Å
46L71.1Confident63.7Low10 Ų1091.4 Ų91.45%0.05252%0.516CS..Hα-helixtrans-73.1-35.6175.6-64.3173.2000111.4V28 K34 L37 Y38 V43 D44V28-L46 HydrophobicContact CB-CD1 4.34Å; V28-L46 HydrophobicContact CG1-CD1 3.96Å; V28-L46 HydrophobicContact CG1-CD2 4.38Å; V28-L46 HydrophobicContact CG2-CD1 3.36Å; V28-L46 HydrophobicContact CG2-CD2 4.33Å; V28-L46 HydrophobicContact CG2-CG 4.49Å; K34-L46 HydrophobicContact CB-CD2 4.18Å; L37-L46 HydrophobicContact CB-CD2 4.44Å; Y38-L46 HydrophobicContact CD2-CD1 3.53Å; Y38-L46 HydrophobicContact CD2-CG 4.23Å; Y38-L46 HydrophobicContact CE2-CD1 4.34Å; Y38-L46 HydrophobicContact CG-CD1 4.34Å; V43-L46 WeakPolarHBondContact O-CB 3.2Å; V43-L46 PolarHBondContact O-N 2.83Å; D44-L46 VanDerWaalsContact C-N 3.32Å; D44-L46 PolarHBondContact O-N 2.75Å
47K67Low61.4Low123 Ų12396.3 Ų96.354%0.53554%0.54SS..Hα-helixtrans-81-33.3178.6-68.2177.2179.6174.70113.1V43 D44 N49 G50V43-K47 HydrophobicContact CG1-CD 4.27Å; V43-K47 PolarHBondContact O-N 2.99Å; V43-K47 VanDerWaalsContact O-N 3.15Å; D44-K47 PolarHBondContact O-N 2.75Å; K47-N49 PolarHBondContact O-N 3.02Å; K47-G50 PolarHBondContact O-N 3.21Å
48A57Low58.9Low58 Ų5897.9 Ų97.948%0.47957%0.566SS.*Hα-helixtrans-66.2-19.2-174.400000114D44D44-A48 WeakPolarHBondContact O-CB 3.27Å; D44-A48 PolarHBondContact O-N 3.25Å
49N53.5Low56.7Low100 Ų100101.4 Ų101.454%0.53559%0.585SS.*THydrogen-bonded Turntrans-86.9-7171.3-89.3-11.1000114.1K47 F64K47-N49 PolarHBondContact O-N 3.02Å; N49-F64 HydrophobicContact CB-CD2 3.77Å; N49-F64 HydrophobicContact CB-CE2 3.9Å
50G47.7Very low54.3Low58 Ų58105.3 Ų105.360%0.59860%0.6SS**SBendtrans-101.45.7179.700000114.7K47K47-G50 PolarHBondContact O-N 3.21Å
51G36.7Very low52.3Low40 Ų40100.7 Ų100.741%0.41259%0.585SS.*SBendtrans-157.7107.4-175.800000113.6H53G51-H53 PolarHBondContact O-N 3.49Å; G51-H53 PolarHBondContact O-ND1 2.78Å
52A35.6Very low50.5Low100 Ų10099.9 Ų99.983%0.82659%0.591SS**SBendtrans74.222.915000000120.6
53H39.2Very low48.6Very low173 Ų173106.4 Ų106.480%0.80161%0.614SS**  trans-137.199.1174-64.185.3000114.8G51G51-H53 PolarHBondContact O-N 3.49Å; G51-H53 PolarHBondContact O-ND1 2.78Å
54G36.3Very low47.5Very low72 Ų72105.6 Ų105.674%0.74261%0.606SS**  79.188.1128.600000117.2R56G54-R56 PolarHBondContact O-N 2.78Å
55A33.1Very low46.6Very low97 Ų97103.5 Ų103.580%0.80260%0.598SS**  trans-43.6108.1152.400000111.3
56R37Very low46.2Very low236 Ų236108.2 Ų108.289%0.89162%0.616SS**  trans-176.2125.2153.7-91.7136.6-160.5-123.27.3108.8G54G54-R56 PolarHBondContact O-N 2.78Å
57N39.8Very low45.9Very low158 Ų158113.1 Ų113.185%0.84563%0.634SS**SBendtrans7977.9170-64.2-5.3000117.7H59N57-H59 PolarHBondContact O-N 2.71Å
58G31.2Very low45.8Very low71 Ų71109.4 Ų109.473%0.73262%0.623SS**  52.167.9111.400000117.7
59H39.7Very low46.2Very low179 Ų179108.1 Ų108.183%0.82961%0.61SS**  trans-154.1125.8139.6-76.2-63.6000106.2N57 F61N57-H59 PolarHBondContact O-N 2.71Å; H59-F61 PolarHBondContact O-N 2.77Å
60H37.6Very low46.9Very low192 Ų192105.7 Ų105.789%0.88960%0.595SS**  trans-58.999.4176-120-79.7000108
61F42.7Very low47.9Very low84 Ų84106.2 Ų106.237%0.36858%0.584SS.*  trans-121.1108.1173.5-139.7-80000106.8N33 H59 F64N33-F61 HydrophobicContact CB-CE2 3.48Å; N33-F61 VanDerWaalsContact CB-CE2 3.48Å; N33-F61 HydrophobicContact CB-CZ 3.53Å; H59-F61 PolarHBondContact O-N 2.77Å; F61-F64 HydrophobicContact CD1-CD2 4.08Å; F61-F64 HydrophobicContact CD1-CE1 4.35Å; F61-F64 AromaticContact CD1-CE2 3.2Å; F61-F64 HydrophobicContact CD1-CE2 3.2Å; F61-F64 AromaticContact CD1-CZ 3.37Å; F61-F64 HydrophobicContact CD1-CZ 3.37Å; F61-F64 HydrophobicContact CE1-CD2 4.48Å; F61-F64 AromaticContact CE1-CE1 3.82Å; F61-F64 HydrophobicContact CE1-CE1 3.82Å; F61-F64 AromaticContact CE1-CE2 3.51Å; F61-F64 HydrophobicContact CE1-CE2 3.51Å; F61-F64 AromaticContact CE1-CZ 3.1Å; F61-F64 HydrophobicContact CE1-CZ 3.1Å; F61-F64 HydrophobicContact CG-CE2 4.15Å; F61-F64 HydrophobicContact CG-CZ 4.45Å; F61-F64 HydrophobicContact CZ-CZ 4.02Å
62D46.8Very low49.4Very low135 Ų135105 Ų10572%0.72257%0.569SS**  trans-57.7140.1-179.9-73.6-56.8000110.5F64D62-F64 PolarHBondContact O-N 2.81Å
63E44.9Very low50.9Low165 Ų165101 Ų10177%0.77153%0.532SS*.  trans-36.4114.1179.7-169.1170159.400112.9T65E63-T65 HydrophobicContact CG-CG2 4.25Å; E63-T65 PolarHBondContact O-N 3.31Å; E63-T65 PolarHBondContact O-OG1 2.96Å
64F54.7Low52.3Low36 Ų3695.4 Ų95.416%0.15851%0.506CS..  trans-68.479.8176.1-76.7-90.9000110.7K34 L37 N49 F61 D62K34-F64 HydrophobicContact CD-CE1 3.99Å; K34-F64 HydrophobicContact CG-CE1 3.8Å; K34-F64 HydrophobicContact CG-CZ 4.47Å; L37-F64 HydrophobicContact CD1-CZ 3.89Å; N49-F64 HydrophobicContact CB-CD2 3.77Å; N49-F64 HydrophobicContact CB-CE2 3.9Å; F61-F64 HydrophobicContact CD1-CD2 4.08Å; F61-F64 HydrophobicContact CD1-CE1 4.35Å; F61-F64 AromaticContact CD1-CE2 3.2Å; F61-F64 HydrophobicContact CD1-CE2 3.2Å; F61-F64 AromaticContact CD1-CZ 3.37Å; F61-F64 HydrophobicContact CD1-CZ 3.37Å; F61-F64 HydrophobicContact CE1-CD2 4.48Å; F61-F64 AromaticContact CE1-CE1 3.82Å; F61-F64 HydrophobicContact CE1-CE1 3.82Å; F61-F64 AromaticContact CE1-CE2 3.51Å; F61-F64 HydrophobicContact CE1-CE2 3.51Å; F61-F64 AromaticContact CE1-CZ 3.1Å; F61-F64 HydrophobicContact CE1-CZ 3.1Å; F61-F64 HydrophobicContact CG-CE2 4.15Å; F61-F64 HydrophobicContact CG-CZ 4.45Å; F61-F64 HydrophobicContact CZ-CZ 4.02Å; D62-F64 PolarHBondContact O-N 2.81Å
65T56.8Low53.9Low78 Ų7897.6 Ų97.648%0.47950%0.497SS..  trans-94.8119.8165.541.50000107.6E63 R67E63-T65 HydrophobicContact CG-CG2 4.25Å; E63-T65 PolarHBondContact O-N 3.31Å; E63-T65 PolarHBondContact O-OG1 2.96Å; T65-R67 WeakPolarHBondContact O-CG 3.44Å; T65-R67 PolarHBondContact O-N 3.14Å
66F61Low55.6Low108 Ų10898.8 Ų98.847%0.47448%0.484SS..  trans-57106.2166.4-90.1-78.4000107.3E24E24-F66 HydrophobicContact CG-CE1 3.92Å
67R65.1Low57.1Low112 Ų11292.3 Ų92.342%0.42346%0.463SS..  trans-73.8156-178.4-61.9-128.7-72.9175.7-5.8108.6T65 D71 V72 E75T65-R67 WeakPolarHBondContact O-CG 3.44Å; T65-R67 PolarHBondContact O-N 3.14Å; R67-D71 HydrophobicContact CB-CB 4.23Å; R67-V72 HydrophobicContact CB-CG2 4.08Å; R67-E75 IonicContact CZ-OE2 2.69Å; R67-E75 IonicContact NH2-OE2 2.78Å; R67-E75 PolarHBondContact NH2-OE2 2.89Å
68S65.6Low58.3Low45 Ų4587 Ų8732%0.31545%0.445SS..  trans-59.3141173.976.70000107.8F70 D71 V72S68-F70 PolarHBondContact O-N 2.79Å; S68-D71 WeakPolarHBondContact CB-OD2 3.47Å; S68-D71 PolarHBondContact N-OD2 3.48Å; S68-D71 PolarHBondContact O-N 3.5Å; S68-D71 PolarHBondContact OG-N 3.19Å; S68-D71 VanDerWaalsContact OG-N 3.14Å; S68-D71 PolarHBondContact OG-OD1 3.12Å; S68-D71 PolarHBondContact OG-OD2 2.83Å; S68-V72 PolarHBondContact O-N 3.41Å
69P65.7Low59.9Low31 Ų3190.2 Ų90.220%0.20144%0.441CS..Hα-helixtrans-49.1-34.4174.2-30.736.8000111.8F19 S23 V72 F73F19-P69 HydrophobicContact CD1-CB 4.45Å; F19-P69 HydrophobicContact CE1-CB 3.8Å; S23-P69 WeakPolarHBondContact OG-CB 3.47Å; S23-P69 WeakPolarHBondContact OG-CG 3.36Å; P69-V72 PolarHBondContact O-N 2.96Å; P69-F73 WeakPolarHBondContact O-CD2 3.09Å; P69-F73 PolarHBondContact O-N 3.2Å
70F67.1Low60.9Low50 Ų5091 Ų9122%0.21944%0.436CS..Hα-helixtrans-58-47175.3-61.3-90.7000112.4S68 F73 F74 F83 F116S68-F70 PolarHBondContact O-N 2.79Å; F70-F73 PolarHBondContact O-N 3Å; F70-F74 VanDerWaalsContact O-CB 3.24Å; F70-F74 WeakPolarHBondContact O-CB 3.04Å; F70-F74 PolarHBondContact O-N 2.86Å; F70-F83 HydrophobicContact CD1-CD1 4.33Å; F70-F83 AromaticContact CD1-CD2 3.49Å; F70-F83 HydrophobicContact CD1-CD2 3.49Å; F70-F83 VanDerWaalsContact CD1-CD2 3.49Å; F70-F83 HydrophobicContact CD1-CE1 4.01Å; F70-F83 AromaticContact CD1-CE2 3.09Å; F70-F83 HydrophobicContact CD1-CE2 3.09Å; F70-F83 HydrophobicContact CD1-CG 4.11Å; F70-F83 AromaticContact CD1-CZ 3.38Å; F70-F83 HydrophobicContact CD1-CZ 3.38Å; F70-F83 AromaticContact CE1-CD1 3.95Å; F70-F83 HydrophobicContact CE1-CD1 3.95Å; F70-F83 AromaticContact CE1-CD2 3.95Å; F70-F83 HydrophobicContact CE1-CD2 3.95Å; F70-F83 AromaticContact CE1-CE1 3.43Å; F70-F83 HydrophobicContact CE1-CE1 3.43Å; F70-F83 VanDerWaalsContact CE1-CE1 3.43Å; F70-F83 AromaticContact CE1-CE2 3.43Å; F70-F83 HydrophobicContact CE1-CE2 3.43Å; F70-F83 VanDerWaalsContact CE1-CE2 3.43Å; F70-F83 HydrophobicContact CE1-CG 4.19Å; F70-F83 AromaticContact CE1-CZ 3.14Å; F70-F83 HydrophobicContact CE1-CZ 3.14Å; F70-F83 HydrophobicContact CG-CE2 4.15Å; F70-F83 HydrophobicContact CZ-CE1 4.47Å; F70-F83 HydrophobicContact CZ-CZ 4.21Å; F70-F116 HydrophobicContact CD1-CE1 4.06Å; F70-F116 HydrophobicContact CD2-CD1 4.22Å; F70-F116 HydrophobicContact CD2-CE1 4.17Å; F70-F116 HydrophobicContact CE1-CD1 4.28Å; F70-F116 AromaticContact CE1-CE1 3.4Å; F70-F116 HydrophobicContact CE1-CE1 3.4Å; F70-F116 VanDerWaalsContact CE1-CE1 3.4Å; F70-F116 HydrophobicContact CE1-CZ 4.08Å; F70-F116 AromaticContact CE2-CD1 3.53Å; F70-F116 HydrophobicContact CE2-CD1 3.53Å; F70-F116 AromaticContact CE2-CE1 3.52Å; F70-F116 HydrophobicContact CE2-CE1 3.52Å; F70-F116 HydrophobicContact CG-CE1 4.44Å; F70-F116 AromaticContact CZ-CD1 3.61Å; F70-F116 HydrophobicContact CZ-CD1 3.61Å; F70-F116 AromaticContact CZ-CE1 3.12Å; F70-F116 HydrophobicContact CZ-CE1 3.12Å; F70-F116 AromaticContact CZ-CZ 3.96Å; F70-F116 HydrophobicContact CZ-CZ 3.96Å
71D68.9Low61.8Low68 Ų6884.3 Ų84.336%0.36441%0.407SS..Hα-helixtrans-65.4-40.9178.9-58.3-41.1000112R67 S68 F73 F74 E75R67-D71 HydrophobicContact CB-CB 4.23Å; S68-D71 WeakPolarHBondContact CB-OD2 3.47Å; S68-D71 PolarHBondContact N-OD2 3.48Å; S68-D71 PolarHBondContact O-N 3.5Å; S68-D71 PolarHBondContact OG-N 3.19Å; S68-D71 VanDerWaalsContact OG-N 3.14Å; S68-D71 PolarHBondContact OG-OD1 3.12Å; S68-D71 PolarHBondContact OG-OD2 2.83Å; D71-F73 VanDerWaalsContact C-N 3.34Å; D71-F73 PolarHBondContact O-N 2.87Å; D71-F74 PolarHBondContact O-N 3.14Å; D71-E75 WeakPolarHBondContact O-CB 3.48Å; D71-E75 PolarHBondContact O-N 2.81Å
72V68.6Low62.4Low15 Ų1583.2 Ų83.29%0.09141%0.408CS..Hα-helixtrans-62.8-43.4178.4178.80000110.4Y26 R67 S68 P69 F76Y26-V72 HydrophobicContact CD1-CG1 3.71Å; Y26-V72 HydrophobicContact CE1-CG1 4.19Å; R67-V72 HydrophobicContact CB-CG2 4.08Å; S68-V72 PolarHBondContact O-N 3.41Å; P69-V72 PolarHBondContact O-N 2.96Å; V72-F76 WeakPolarHBondContact O-CB 3.46Å; V72-F76 PolarHBondContact O-N 3.17Å
73F67.3Low62.9Low15 Ų1578 Ų787%0.06638%0.38CS..Hα-helixtrans-71.7-37.1175.8-72.9-60.3000112.3M1 F19 P69 F70 D71 F76 F77 P82M1-F73 HydrophobicContact CE-CD1 3.99Å; M1-F73 HydrophobicContact CE-CE1 3.41Å; M1-F73 VanDerWaalsContact CE-CE1 3.41Å; M1-F73 HydrophobicContact CE-CE2 4.28Å; M1-F73 HydrophobicContact CE-CZ 3.6Å; M1-F73 HydrophobicContact SD-CZ 4.21Å; F19-F73 HydrophobicContact CD2-CE2 4.44Å; F19-F73 HydrophobicContact CE1-CD2 4.39Å; F19-F73 HydrophobicContact CE1-CE2 4Å; F19-F73 HydrophobicContact CE2-CD2 4.19Å; F19-F73 AromaticContact CE2-CE2 3.6Å; F19-F73 HydrophobicContact CE2-CE2 3.6Å; F19-F73 HydrophobicContact CE2-CZ 4.16Å; F19-F73 AromaticContact CZ-CD2 3.63Å; F19-F73 HydrophobicContact CZ-CD2 3.63Å; F19-F73 AromaticContact CZ-CE2 3.33Å; F19-F73 HydrophobicContact CZ-CE2 3.33Å; F19-F73 HydrophobicContact CZ-CZ 4.32Å; P69-F73 WeakPolarHBondContact O-CD2 3.09Å; P69-F73 PolarHBondContact O-N 3.2Å; F70-F73 PolarHBondContact O-N 3Å; D71-F73 VanDerWaalsContact C-N 3.34Å; D71-F73 PolarHBondContact O-N 2.87Å; F73-F76 PolarHBondContact O-N 3.15Å; F73-F77 HydrophobicContact CB-CD2 4.07Å; F73-F77 HydrophobicContact CB-CE2 4.16Å; F73-F77 HydrophobicContact CD1-CD2 4.31Å; F73-F77 AromaticContact CD1-CE2 3.61Å; F73-F77 HydrophobicContact CD1-CE2 3.61Å; F73-F77 HydrophobicContact CE1-CE2 4.47Å; F73-F77 HydrophobicContact CG-CE2 4.27Å; F73-F77 WeakPolarHBondContact O-CB 3.25Å; F73-F77 WeakPolarHBondContact O-CD2 3.35Å; F73-F77 PolarHBondContact O-N 3.31Å; F73-P82 HydrophobicContact CB-CG 4.48Å
74F69.4Low63.5Low57 Ų5775.6 Ų75.625%0.2537%0.368CS..Hα-helixtrans-60.4-46.3177.8-179.5-105.8000112.5F70 D71 F76 G78 H79 D81F70-F74 VanDerWaalsContact O-CB 3.24Å; F70-F74 WeakPolarHBondContact O-CB 3.04Å; F70-F74 PolarHBondContact O-N 2.86Å; D71-F74 PolarHBondContact O-N 3.14Å; F74-F76 VanDerWaalsContact C-N 3.34Å; F74-F76 PolarHBondContact O-N 2.86Å; F74-G78 PolarHBondContact O-N 2.86Å; F74-H79 HydrophobicContact CE1-CB 4.07Å; F74-H79 AromaticContact CE1-CD2 3.97Å; F74-H79 HydrophobicContact CE2-CB 4.47Å; F74-H79 VanDerWaalsContact CE2-O 3.22Å; F74-H79 WeakPolarHBondContact CE2-O 3.44Å; F74-H79 HydrophobicContact CZ-CB 3.86Å; F74-H79 WeakPolarHBondContact CZ-O 3.41Å; F74-H79 PolarHBondContact O-N 3.27Å; F74-D81 HydrophobicContact CD2-CB 4.06Å; F74-D81 WeakPolarHBondContact CD2-OD1 2.94Å; F74-D81 HydrophobicContact CE2-CB 4.16Å; F74-D81 WeakPolarHBondContact CE2-OD1 3.45Å; F74-D81 WeakPolarHBondContact CE2-OD2 3.05Å
75E69.5Low63.5Low118 Ų11880.8 Ų80.855%0.55140%0.398SS*.Hα-helixtrans-61.5-44.9177.1-176.4174.9-179.300110.9R67 D71 G78R67-E75 IonicContact CZ-OE2 2.69Å; R67-E75 IonicContact NH2-OE2 2.78Å; R67-E75 PolarHBondContact NH2-OE2 2.89Å; D71-E75 WeakPolarHBondContact O-CB 3.48Å; D71-E75 PolarHBondContact O-N 2.81Å; E75-G78 PolarHBondContact O-N 2.92Å
76F69.1Low63.2Low122 Ų12282 Ų8254%0.53540%0.4SS..Hα-helixtrans-72.2-37.5-176.7-173.9-106.3000114Y26 V72 F73 F74 G78Y26-F76 HydrophobicContact CE1-CD2 4.46Å; Y26-F76 HydrophobicContact CE1-CG 4.5Å; Y26-F76 AromaticContact CZ-CD2 3.97Å; Y26-F76 WeakPolarHBondContact OH-CD2 3.48Å; Y26-F76 WeakPolarHBondContact OH-CE2 3.27Å; V72-F76 WeakPolarHBondContact O-CB 3.46Å; V72-F76 PolarHBondContact O-N 3.17Å; F73-F76 PolarHBondContact O-N 3.15Å; F74-F76 VanDerWaalsContact C-N 3.34Å; F74-F76 PolarHBondContact O-N 2.86Å; F76-G78 PolarHBondContact O-N 3.41Å
77F67.5Low62.7Low100 Ų10080.8 Ų80.844%0.43940%0.395SS..THydrogen-bonded Turntrans-82.914.6178-68-64.5000113.4F73 P82F73-F77 HydrophobicContact CB-CD2 4.07Å; F73-F77 HydrophobicContact CB-CE2 4.16Å; F73-F77 HydrophobicContact CD1-CD2 4.31Å; F73-F77 AromaticContact CD1-CE2 3.61Å; F73-F77 HydrophobicContact CD1-CE2 3.61Å; F73-F77 HydrophobicContact CE1-CE2 4.47Å; F73-F77 HydrophobicContact CG-CE2 4.27Å; F73-F77 WeakPolarHBondContact O-CB 3.25Å; F73-F77 WeakPolarHBondContact O-CD2 3.35Å; F73-F77 PolarHBondContact O-N 3.31Å; F77-P82 HydrophobicContact CD2-CG 4.3Å
78G65.7Low61.9Low45 Ų4578.7 Ų78.746%0.46440%0.402SS..THydrogen-bonded Turntrans81.644.2166.800000113.7F74 E75 F76 R80F74-G78 PolarHBondContact O-N 2.86Å; E75-G78 PolarHBondContact O-N 2.92Å; F76-G78 PolarHBondContact O-N 3.41Å; G78-R80 PolarHBondContact O-N 2.88Å; G78-R80 VanDerWaalsContact O-N 3.12Å
79H64.6Low60.8Low140 Ų14078.3 Ų78.365%0.64841%0.405SS*.SBendtrans59.418.5-176.2-5177.2000113.3F74F74-H79 HydrophobicContact CE1-CB 4.07Å; F74-H79 AromaticContact CE1-CD2 3.97Å; F74-H79 HydrophobicContact CE2-CB 4.47Å; F74-H79 VanDerWaalsContact CE2-O 3.22Å; F74-H79 WeakPolarHBondContact CE2-O 3.44Å; F74-H79 HydrophobicContact CZ-CB 3.86Å; F74-H79 WeakPolarHBondContact CZ-O 3.41Å; F74-H79 PolarHBondContact O-N 3.27Å
80R60.1Low59.6Low194 Ų19480.5 Ų80.573%0.73241%0.412SS*.  trans-97.3112.1166.7-62.8-173.5-176.5-148.40.4105.7G78 P82G78-R80 PolarHBondContact O-N 2.88Å; G78-R80 VanDerWaalsContact O-N 3.12Å; R80-P82 WeakPolarHBondContact O-CD 3.32Å; R80-P82 VanDerWaalsContact O-N 3.09Å
81D55.8Low58.7Low53 Ų5384.3 Ų84.328%0.28343%0.434SS..  trans-58.4115.9166.7-79.8-55.1000106.8F74 F83 Q84F74-D81 HydrophobicContact CD2-CB 4.06Å; F74-D81 WeakPolarHBondContact CD2-OD1 2.94Å; F74-D81 HydrophobicContact CE2-CB 4.16Å; F74-D81 WeakPolarHBondContact CE2-OD1 3.45Å; F74-D81 WeakPolarHBondContact CE2-OD2 3.05Å; D81-F83 PolarHBondContact O-N 3.31Å; D81-Q84 HydrophobicContact CB-CB 3.66Å; D81-Q84 HydrophobicContact CB-CG 3.69Å; D81-Q84 VanDerWaalsContact CB-N 3.31Å; D81-Q84 WeakPolarHBondContact O-CB 3.13Å; D81-Q84 PolarHBondContact O-N 3.4Å
82P57.1Low57.5Low60 Ų6084.6 Ų84.639%0.3944%0.438SS..THydrogen-bonded Turntrans-61.3-14168.426.8-32000110.7F73 F77 R80F73-P82 HydrophobicContact CB-CG 4.48Å; F77-P82 HydrophobicContact CD2-CG 4.3Å; R80-P82 WeakPolarHBondContact O-CD 3.32Å; R80-P82 VanDerWaalsContact O-N 3.09Å
83F56.5Low56.1Low27 Ų2785.6 Ų85.612%0.11844%0.442CS..THydrogen-bonded Turntrans-88.8-14.9171.6-55.3-80.1000113.4F70 D81 D85 L86 F87F70-F83 HydrophobicContact CD1-CD1 4.33Å; F70-F83 AromaticContact CD1-CD2 3.49Å; F70-F83 HydrophobicContact CD1-CD2 3.49Å; F70-F83 VanDerWaalsContact CD1-CD2 3.49Å; F70-F83 HydrophobicContact CD1-CE1 4.01Å; F70-F83 AromaticContact CD1-CE2 3.09Å; F70-F83 HydrophobicContact CD1-CE2 3.09Å; F70-F83 HydrophobicContact CD1-CG 4.11Å; F70-F83 AromaticContact CD1-CZ 3.38Å; F70-F83 HydrophobicContact CD1-CZ 3.38Å; F70-F83 AromaticContact CE1-CD1 3.95Å; F70-F83 HydrophobicContact CE1-CD1 3.95Å; F70-F83 AromaticContact CE1-CD2 3.95Å; F70-F83 HydrophobicContact CE1-CD2 3.95Å; F70-F83 AromaticContact CE1-CE1 3.43Å; F70-F83 HydrophobicContact CE1-CE1 3.43Å; F70-F83 VanDerWaalsContact CE1-CE1 3.43Å; F70-F83 AromaticContact CE1-CE2 3.43Å; F70-F83 HydrophobicContact CE1-CE2 3.43Å; F70-F83 VanDerWaalsContact CE1-CE2 3.43Å; F70-F83 HydrophobicContact CE1-CG 4.19Å; F70-F83 AromaticContact CE1-CZ 3.14Å; F70-F83 HydrophobicContact CE1-CZ 3.14Å; F70-F83 HydrophobicContact CG-CE2 4.15Å; F70-F83 HydrophobicContact CZ-CE1 4.47Å; F70-F83 HydrophobicContact CZ-CZ 4.21Å; D81-F83 PolarHBondContact O-N 3.31Å; F83-D85 VanDerWaalsContact C-N 3.32Å; F83-D85 PolarHBondContact O-N 3.38Å; F83-L86 HydrophobicContact CD1-CD2 4.14Å; F83-L86 CarbonylContact O-C 3.58Å; F83-L86 WeakPolarHBondContact O-CA 3.43Å; F83-L86 VanDerWaalsContact O-CB 3.32Å; F83-L86 WeakPolarHBondContact O-CB 3.46Å; F83-L86 PolarHBondContact O-N 3.19Å; F83-F87 HydrophobicContact CB-CD2 3.87Å; F83-F87 HydrophobicContact CB-CE2 4.11Å; F83-F87 WeakPolarHBondContact O-CB 3.36Å; F83-F87 VanDerWaalsContact O-CD2 3.3Å; F83-F87 WeakPolarHBondContact O-CD2 2.91Å; F83-F87 PolarHBondContact O-N 2.84Å
84Q56.6Low55Low113 Ų11389.5 Ų89.553%0.52847%0.47SS..Hα-helixtrans-67-34.1174.8-102.1-176.61100111.2D81 L86 F87 A88D81-Q84 HydrophobicContact CB-CB 3.66Å; D81-Q84 HydrophobicContact CB-CG 3.69Å; D81-Q84 VanDerWaalsContact CB-N 3.31Å; D81-Q84 WeakPolarHBondContact O-CB 3.13Å; D81-Q84 PolarHBondContact O-N 3.4Å; Q84-L86 PolarHBondContact O-N 2.8Å; Q84-F87 PolarHBondContact O-N 2.79Å; Q84-A88 WeakPolarHBondContact O-CA 3.38Å; Q84-A88 WeakPolarHBondContact O-CB 3.42Å; Q84-A88 PolarHBondContact O-N 3.41Å
85D55.4Low53.9Low146 Ų14691.8 Ų91.878%0.78149%0.493SS*.Hα-helixtrans-70.8-23172.3-71.9-28.3000111.8F83F83-D85 VanDerWaalsContact C-N 3.32Å; F83-D85 PolarHBondContact O-N 3.38Å
86L51.7Low52.8Low102 Ų10292.6 Ų92.653%0.53450%0.499SS..Hα-helixtrans-80.9-37.2175.4-163.378.8000112.4F83 Q84F83-L86 HydrophobicContact CD1-CD2 4.14Å; F83-L86 CarbonylContact O-C 3.58Å; F83-L86 WeakPolarHBondContact O-CA 3.43Å; F83-L86 VanDerWaalsContact O-CB 3.32Å; F83-L86 WeakPolarHBondContact O-CB 3.46Å; F83-L86 PolarHBondContact O-N 3.19Å; Q84-L86 PolarHBondContact O-N 2.8Å
87F49.1Very low51.5Low83 Ų8389.1 Ų89.136%0.36450%0.498SS..Hα-helixtrans-99.1-14.7-179.4-75.3-76.2000113.7F83 Q84 F90 L112 F116F83-F87 HydrophobicContact CB-CD2 3.87Å; F83-F87 HydrophobicContact CB-CE2 4.11Å; F83-F87 WeakPolarHBondContact O-CB 3.36Å; F83-F87 VanDerWaalsContact O-CD2 3.3Å; F83-F87 WeakPolarHBondContact O-CD2 2.91Å; F83-F87 PolarHBondContact O-N 2.84Å; Q84-F87 PolarHBondContact O-N 2.79Å; F87-F90 VanDerWaalsContact C-N 3.32Å; F87-F90 HydrophobicContact CD1-CB 4.44Å; F87-F90 HydrophobicContact CD1-CD2 4.24Å; F87-F90 HydrophobicContact CD1-CG 4.49Å; F87-F90 WeakPolarHBondContact O-CA 3.49Å; F87-F90 WeakPolarHBondContact O-CB 3.39Å; F87-F90 PolarHBondContact O-N 3Å; F87-L112 HydrophobicContact CE1-CD2 4.21Å; F87-L112 HydrophobicContact CZ-CD1 4.33Å; F87-F116 HydrophobicContact CZ-CZ 4.47Å
88A49Very low50.4Low69 Ų6988.7 Ų88.757%0.5750%0.496SS*.G310 helixtrans-72.9-24162.400000109.8Q84 F90Q84-A88 WeakPolarHBondContact O-CA 3.38Å; Q84-A88 WeakPolarHBondContact O-CB 3.42Å; Q84-A88 PolarHBondContact O-N 3.41Å; A88-F90 PolarHBondContact O-N 3.33Å
89G42.5Very low49.6Very low37 Ų3791.2 Ų91.238%0.38150%0.499SS..G310 helixtrans-66.5-5.8158.300000114.1D91 V92G89-D91 PolarHBondContact O-N 3.22Å; G89-V92 WeakPolarHBondContact O-CB 3.42Å; G89-V92 WeakPolarHBondContact O-CG2 3.47Å; G89-V92 PolarHBondContact O-N 2.75Å
90F40.9Very low48.9Very low77 Ų7789.6 Ų89.634%0.33850%0.499SS..G310 helixtrans-78.81.9174.6-160.7-101.6000112.9F87 A88 V92 F93F87-F90 VanDerWaalsContact C-N 3.32Å; F87-F90 HydrophobicContact CD1-CB 4.44Å; F87-F90 HydrophobicContact CD1-CD2 4.24Å; F87-F90 HydrophobicContact CD1-CG 4.49Å; F87-F90 WeakPolarHBondContact O-CA 3.49Å; F87-F90 WeakPolarHBondContact O-CB 3.39Å; F87-F90 PolarHBondContact O-N 3Å; A88-F90 PolarHBondContact O-N 3.33Å; F90-V92 PolarHBondContact O-N 2.94Å; F90-F93 HydrophobicContact CD1-CB 3.43Å; F90-F93 VanDerWaalsContact CD1-CB 3.43Å; F90-F93 HydrophobicContact CD1-CD1 4.11Å; F90-F93 AromaticContact CD1-CG 3.9Å; F90-F93 HydrophobicContact CD1-CG 3.9Å; F90-F93 HydrophobicContact CD2-CB 3.65Å; F90-F93 HydrophobicContact CD2-CD2 4.15Å; F90-F93 HydrophobicContact CD2-CG 4.07Å; F90-F93 HydrophobicContact CE1-CB 3.39Å; F90-F93 AromaticContact CE1-CD1 3.22Å; F90-F93 HydrophobicContact CE1-CD1 3.22Å; F90-F93 AromaticContact CE1-CD2 3.96Å; F90-F93 HydrophobicContact CE1-CD2 3.96Å; F90-F93 AromaticContact CE1-CE1 3.82Å; F90-F93 HydrophobicContact CE1-CE1 3.82Å; F90-F93 HydrophobicContact CE1-CE2 4.46Å; F90-F93 AromaticContact CE1-CG 3.28Å; F90-F93 HydrophobicContact CE1-CG 3.28Å; F90-F93 HydrophobicContact CE1-CZ 4.39Å; F90-F93 HydrophobicContact CE2-CB 3.6Å; F90-F93 HydrophobicContact CE2-CD1 4.17Å; F90-F93 AromaticContact CE2-CD2 3.29Å; F90-F93 HydrophobicContact CE2-CD2 3.29Å; F90-F93 AromaticContact CE2-CE2 3.84Å; F90-F93 HydrophobicContact CE2-CE2 3.84Å; F90-F93 AromaticContact CE2-CG 3.46Å; F90-F93 HydrophobicContact CE2-CG 3.46Å; F90-F93 VanDerWaalsContact CE2-CG 3.46Å; F90-F93 HydrophobicContact CE2-CZ 4.46Å; F90-F93 HydrophobicContact CG-CB 3.57Å; F90-F93 HydrophobicContact CG-CG 4.26Å; F90-F93 HydrophobicContact CZ-CB 3.5Å; F90-F93 VanDerWaalsContact CZ-CB 3.5Å; F90-F93 AromaticContact CZ-CD1 3.27Å; F90-F93 HydrophobicContact CZ-CD1 3.27Å; F90-F93 AromaticContact CZ-CD2 3.19Å; F90-F93 HydrophobicContact CZ-CD2 3.19Å; F90-F93 AromaticContact CZ-CE1 3.59Å; F90-F93 HydrophobicContact CZ-CE1 3.59Å; F90-F93 AromaticContact CZ-CE2 3.52Å; F90-F93 HydrophobicContact CZ-CE2 3.52Å; F90-F93 AromaticContact CZ-CG 3.04Å; F90-F93 HydrophobicContact CZ-CG 3.04Å; F90-F93 AromaticContact CZ-CZ 3.69Å; F90-F93 HydrophobicContact CZ-CZ 3.69Å; F90-F93 WeakPolarHBondContact O-CA 2.95Å; F90-F93 WeakPolarHBondContact O-CB 3.44Å; F90-F93 PolarHBondContact O-N 3.24Å
91D46.6Very low48.1Very low130 Ų13087.7 Ų87.770%0.69550%0.5SS*.Hα-helixtrans-58.8-21.3155.2-118.8-40.8000110.9G89 F93 S94 S95G89-D91 PolarHBondContact O-N 3.22Å; D91-F93 PolarHBondContact O-N 3.36Å; D91-S94 PolarHBondContact O-N 3.35Å; D91-S95 WeakPolarHBondContact O-CB 3.27Å; D91-S95 PolarHBondContact O-N 3.47Å
92V44.5Very low47.8Very low73 Ų7391.1 Ų91.144%0.44252%0.518SS..Hα-helixtrans-62.9-25.9166.8-179.20000111.8G89 F90 S95 M96G89-V92 WeakPolarHBondContact O-CB 3.42Å; G89-V92 WeakPolarHBondContact O-CG2 3.47Å; G89-V92 PolarHBondContact O-N 2.75Å; F90-V92 PolarHBondContact O-N 2.94Å; V92-S95 CarbonylContact O-C 3.46Å; V92-S95 PolarHBondContact O-N 2.89Å; V92-M96 HydrophobicContact CG1-CE 3.44Å; V92-M96 VanDerWaalsContact CG1-CE 3.44Å; V92-M96 HydrophobicContact CG1-CG 3.83Å; V92-M96 HydrophobicContact CG1-SD 3.74Å; V92-M96 WeakPolarHBondContact O-CA 3.4Å; V92-M96 WeakPolarHBondContact O-CB 3.22Å; V92-M96 WeakPolarHBondContact O-CG 3.47Å; V92-M96 PolarHBondContact O-N 3.29Å
93F39.7Very low47.6Very low37 Ų3790.7 Ų90.716%0.16251%0.513CS..Hα-helixtrans-72.8-35.6176.9-167.7-103000112.6F90 D91 M96 G97 F98 V100F90-F93 HydrophobicContact CD1-CB 3.43Å; F90-F93 VanDerWaalsContact CD1-CB 3.43Å; F90-F93 HydrophobicContact CD1-CD1 4.11Å; F90-F93 AromaticContact CD1-CG 3.9Å; F90-F93 HydrophobicContact CD1-CG 3.9Å; F90-F93 HydrophobicContact CD2-CB 3.65Å; F90-F93 HydrophobicContact CD2-CD2 4.15Å; F90-F93 HydrophobicContact CD2-CG 4.07Å; F90-F93 HydrophobicContact CE1-CB 3.39Å; F90-F93 AromaticContact CE1-CD1 3.22Å; F90-F93 HydrophobicContact CE1-CD1 3.22Å; F90-F93 AromaticContact CE1-CD2 3.96Å; F90-F93 HydrophobicContact CE1-CD2 3.96Å; F90-F93 AromaticContact CE1-CE1 3.82Å; F90-F93 HydrophobicContact CE1-CE1 3.82Å; F90-F93 HydrophobicContact CE1-CE2 4.46Å; F90-F93 AromaticContact CE1-CG 3.28Å; F90-F93 HydrophobicContact CE1-CG 3.28Å; F90-F93 HydrophobicContact CE1-CZ 4.39Å; F90-F93 HydrophobicContact CE2-CB 3.6Å; F90-F93 HydrophobicContact CE2-CD1 4.17Å; F90-F93 AromaticContact CE2-CD2 3.29Å; F90-F93 HydrophobicContact CE2-CD2 3.29Å; F90-F93 AromaticContact CE2-CE2 3.84Å; F90-F93 HydrophobicContact CE2-CE2 3.84Å; F90-F93 AromaticContact CE2-CG 3.46Å; F90-F93 HydrophobicContact CE2-CG 3.46Å; F90-F93 VanDerWaalsContact CE2-CG 3.46Å; F90-F93 HydrophobicContact CE2-CZ 4.46Å; F90-F93 HydrophobicContact CG-CB 3.57Å; F90-F93 HydrophobicContact CG-CG 4.26Å; F90-F93 HydrophobicContact CZ-CB 3.5Å; F90-F93 VanDerWaalsContact CZ-CB 3.5Å; F90-F93 AromaticContact CZ-CD1 3.27Å; F90-F93 HydrophobicContact CZ-CD1 3.27Å; F90-F93 AromaticContact CZ-CD2 3.19Å; F90-F93 HydrophobicContact CZ-CD2 3.19Å; F90-F93 AromaticContact CZ-CE1 3.59Å; F90-F93 HydrophobicContact CZ-CE1 3.59Å; F90-F93 AromaticContact CZ-CE2 3.52Å; F90-F93 HydrophobicContact CZ-CE2 3.52Å; F90-F93 AromaticContact CZ-CG 3.04Å; F90-F93 HydrophobicContact CZ-CG 3.04Å; F90-F93 AromaticContact CZ-CZ 3.69Å; F90-F93 HydrophobicContact CZ-CZ 3.69Å; F90-F93 WeakPolarHBondContact O-CA 2.95Å; F90-F93 WeakPolarHBondContact O-CB 3.44Å; F90-F93 PolarHBondContact O-N 3.24Å; D91-F93 PolarHBondContact O-N 3.36Å; F93-M96 PolarHBondContact O-N 2.81Å; F93-G97 PolarHBondContact O-N 3.14Å; F93-F98 HydrophobicContact CD1-CB 3.6Å; F93-F98 HydrophobicContact CD1-CG 4.46Å; F93-F98 HydrophobicContact CD2-CB 3.74Å; F93-F98 AromaticContact CD2-CD2 3.53Å; F93-F98 HydrophobicContact CD2-CD2 3.53Å; F93-F98 HydrophobicContact CD2-CE2 4.27Å; F93-F98 AromaticContact CD2-CG 3.71Å; F93-F98 HydrophobicContact CD2-CG 3.71Å; F93-F98 HydrophobicContact CE1-CB 3.25Å; F93-F98 HydrophobicContact CE1-CG 4.05Å; F93-F98 HydrophobicContact CE2-CB 3.4Å; F93-F98 VanDerWaalsContact CE2-CB 3.4Å; F93-F98 AromaticContact CE2-CD1 3.68Å; F93-F98 HydrophobicContact CE2-CD1 3.68Å; F93-F98 AromaticContact CE2-CD2 3.43Å; F93-F98 HydrophobicContact CE2-CD2 3.43Å; F93-F98 VanDerWaalsContact CE2-CD2 3.43Å; F93-F98 HydrophobicContact CE2-CE1 4.28Å; F93-F98 HydrophobicContact CE2-CE2 4.07Å; F93-F98 AromaticContact CE2-CG 3.21Å; F93-F98 HydrophobicContact CE2-CG 3.21Å; F93-F98 HydrophobicContact CE2-CZ 4.45Å; F93-F98 HydrophobicContact CG-CB 3.85Å; F93-F98 HydrophobicContact CG-CD2 4.29Å; F93-F98 HydrophobicContact CG-CG 4.33Å; F93-F98 HydrophobicContact CZ-CB 3.16Å; F93-F98 AromaticContact CZ-CD1 3.75Å; F93-F98 HydrophobicContact CZ-CD1 3.75Å; F93-F98 HydrophobicContact CZ-CD2 4.13Å; F93-F98 AromaticContact CZ-CG 3.43Å; F93-F98 HydrophobicContact CZ-CG 3.43Å; F93-F98 VanDerWaalsContact CZ-CG 3.43Å; F93-F98 PolarHBondContact O-N 3.4Å; F93-V100 HydrophobicContact CE1-CG2 4.11Å
94S44Very low47.6Very low96 Ų9690.6 Ų90.667%0.67151%0.514SS*.Hα-helixtrans-69.6-37.9168.9-1490000110.6D91 M96 G97D91-S94 PolarHBondContact O-N 3.35Å; S94-M96 VanDerWaalsContact C-N 3.34Å; S94-M96 PolarHBondContact O-N 3.32Å; S94-G97 PolarHBondContact O-N 3.37Å
95S45.1Very low47.3Very low105 Ų10586.5 Ų86.573%0.73450%0.496SS*.Hα-helixtrans-73.2-17.8173.4-172.70000114.6D91 V92D91-S95 WeakPolarHBondContact O-CB 3.27Å; D91-S95 PolarHBondContact O-N 3.47Å; V92-S95 CarbonylContact O-C 3.46Å; V92-S95 PolarHBondContact O-N 2.89Å
96M47.7Very low47.5Very low135 Ų13584.6 Ų84.667%0.66549%0.486SS*.THydrogen-bonded Turntrans-95.72.9177.5-79.6-177.2175.900112.5V92 F93 S94 F98V92-M96 HydrophobicContact CG1-CE 3.44Å; V92-M96 VanDerWaalsContact CG1-CE 3.44Å; V92-M96 HydrophobicContact CG1-CG 3.83Å; V92-M96 HydrophobicContact CG1-SD 3.74Å; V92-M96 WeakPolarHBondContact O-CA 3.4Å; V92-M96 WeakPolarHBondContact O-CB 3.22Å; V92-M96 WeakPolarHBondContact O-CG 3.47Å; V92-M96 PolarHBondContact O-N 3.29Å; F93-M96 PolarHBondContact O-N 2.81Å; S94-M96 VanDerWaalsContact C-N 3.34Å; S94-M96 PolarHBondContact O-N 3.32Å; M96-F98 VanDerWaalsContact C-N 3.34Å; M96-F98 HydrophobicContact CB-CD2 4.24Å; M96-F98 PolarHBondContact O-N 2.91Å
97G41Very low47.9Very low50 Ų5083.3 Ų83.352%0.51548%0.476SS..THydrogen-bonded Turntrans7517.3172.400000115.1F93 S94 N99F93-G97 PolarHBondContact O-N 3.14Å; S94-G97 PolarHBondContact O-N 3.37Å; G97-N99 PolarHBondContact O-N 3.41Å; G97-N99 VanDerWaalsContact O-N 3.17Å; G97-N99 PolarHBondContact O-ND2 3.2Å
98F45.7Very low48.1Very low90 Ų9082.1 Ų82.140%0.39547%0.471SS..  trans-70.6112.8175.3-88.5-83.6000110.6F93 M96 V100 D103F93-F98 HydrophobicContact CD1-CB 3.6Å; F93-F98 HydrophobicContact CD1-CG 4.46Å; F93-F98 HydrophobicContact CD2-CB 3.74Å; F93-F98 AromaticContact CD2-CD2 3.53Å; F93-F98 HydrophobicContact CD2-CD2 3.53Å; F93-F98 HydrophobicContact CD2-CE2 4.27Å; F93-F98 AromaticContact CD2-CG 3.71Å; F93-F98 HydrophobicContact CD2-CG 3.71Å; F93-F98 HydrophobicContact CE1-CB 3.25Å; F93-F98 HydrophobicContact CE1-CG 4.05Å; F93-F98 HydrophobicContact CE2-CB 3.4Å; F93-F98 VanDerWaalsContact CE2-CB 3.4Å; F93-F98 AromaticContact CE2-CD1 3.68Å; F93-F98 HydrophobicContact CE2-CD1 3.68Å; F93-F98 AromaticContact CE2-CD2 3.43Å; F93-F98 HydrophobicContact CE2-CD2 3.43Å; F93-F98 VanDerWaalsContact CE2-CD2 3.43Å; F93-F98 HydrophobicContact CE2-CE1 4.28Å; F93-F98 HydrophobicContact CE2-CE2 4.07Å; F93-F98 AromaticContact CE2-CG 3.21Å; F93-F98 HydrophobicContact CE2-CG 3.21Å; F93-F98 HydrophobicContact CE2-CZ 4.45Å; F93-F98 HydrophobicContact CG-CB 3.85Å; F93-F98 HydrophobicContact CG-CD2 4.29Å; F93-F98 HydrophobicContact CG-CG 4.33Å; F93-F98 HydrophobicContact CZ-CB 3.16Å; F93-F98 AromaticContact CZ-CD1 3.75Å; F93-F98 HydrophobicContact CZ-CD1 3.75Å; F93-F98 HydrophobicContact CZ-CD2 4.13Å; F93-F98 AromaticContact CZ-CG 3.43Å; F93-F98 HydrophobicContact CZ-CG 3.43Å; F93-F98 VanDerWaalsContact CZ-CG 3.43Å; F93-F98 PolarHBondContact O-N 3.4Å; M96-F98 VanDerWaalsContact C-N 3.34Å; M96-F98 HydrophobicContact CB-CD2 4.24Å; M96-F98 PolarHBondContact O-N 2.91Å; F98-V100 PolarHBondContact O-N 2.63Å; F98-D103 HydrophobicContact CD1-CB 4.08Å; F98-D103 HydrophobicContact CE1-CB 4.49Å
99N46.9Very low48.5Very low98 Ų9880 Ų8052%0.52445%0.453SS..  trans-85.3103.4174.8-79.8-93.8000108.4G97 M101 N102 D103G97-N99 PolarHBondContact O-N 3.41Å; G97-N99 VanDerWaalsContact O-N 3.17Å; G97-N99 PolarHBondContact O-ND2 3.2Å; N99-M101 PolarHBondContact O-N 3.49Å; N99-N102 HydrophobicContact CB-CB 4.41Å; N99-N102 PolarHBondContact O-N 2.98Å; N99-D103 PolarHBondContact O-N 3.28Å
100V51.6Low49.4Very low107 Ų10778.6 Ų78.665%0.64844%0.439SS*.THydrogen-bonded Turntrans-52.8-20.3176.6-169.30000112.3F93 F98 V104F93-V100 HydrophobicContact CE1-CG2 4.11Å; F98-V100 PolarHBondContact O-N 2.63Å; V100-V104 WeakPolarHBondContact O-CG1 3.38Å
101M42Very low50.3Low154 Ų15480.2 Ų80.276%0.75946%0.457SS*.THydrogen-bonded Turntrans-75.5-25.7174.4-82177.4148.600115.2N99N99-M101 PolarHBondContact O-N 3.49Å
102N49.5Very low50.9Low124 Ų12477 Ų7766%0.66344%0.439SS*.THydrogen-bonded Turntrans-111.9-23.5-173.2-67.8-37.2000113.6N99N99-N102 HydrophobicContact CB-CB 4.41Å; N99-N102 PolarHBondContact O-N 2.98Å
103D54.1Low51.7Low52 Ų5274.6 Ų74.628%0.27842%0.424SS..  trans-111.619.5-170.9-79.2-40.7000114.4F98 N99 D105 D106 F107F98-D103 HydrophobicContact CD1-CB 4.08Å; F98-D103 HydrophobicContact CE1-CB 4.49Å; N99-D103 PolarHBondContact O-N 3.28Å; D103-D105 PolarHBondContact O-N 3.12Å; D103-D106 HydrophobicContact CB-CB 4.39Å; D103-D106 CarbonylContact O-C 3.54Å; D103-D106 PolarHBondContact O-N 2.83Å; D103-D106 VanDerWaalsContact O-N 3.12Å; D103-F107 WeakPolarHBondContact O-CB 3.32Å; D103-F107 PolarHBondContact O-N 3.31Å
104V55.4Low52.7Low25 Ų2577.1 Ų77.115%0.15243%0.432CS..Hα-helixtrans-55.9-37.8173.9-620000111.9V100 F107 F108 T124V100-V104 WeakPolarHBondContact O-CG1 3.38Å; V104-F107 PolarHBondContact O-N 2.81Å; V104-F108 VanDerWaalsContact O-CD2 3.23Å; V104-F108 WeakPolarHBondContact O-CD2 3.42Å; V104-F108 PolarHBondContact O-N 3Å; V104-T124 HydrophobicContact CG2-CG2 3.97Å
105D51.4Low53.4Low27 Ų2776.5 Ų76.514%0.14442%0.421CS..Hα-helixtrans-65-42.1178.1-74.6-46.9000111.1D103 A109 T142 K155D103-D105 PolarHBondContact O-N 3.12Å; D105-A109 WeakPolarHBondContact O-CA 3.4Å; D105-A109 WeakPolarHBondContact O-CB 3.31Å; D105-A109 PolarHBondContact O-N 3.19Å; D105-T142 PolarHBondContact OD1-OG1 2.89Å; D105-K155 IonicContact OD1-NZ 4Å; D105-K155 WeakPolarHBondContact OD2-CE 3.08Å; D105-K155 IonicContact OD2-NZ 2.68Å; D105-K155 PolarHBondContact OD2-NZ 2.88Å
106D59.1Low53.9Low106 Ų10675 Ų7557%0.56740%0.401SS*.Hα-helixtrans-77.1-22.1177.8-82.54.1000112.6D103 G110D103-D106 HydrophobicContact CB-CB 4.39Å; D103-D106 CarbonylContact O-C 3.54Å; D103-D106 PolarHBondContact O-N 2.83Å; D103-D106 VanDerWaalsContact O-N 3.12Å; D106-G110 WeakPolarHBondContact O-CA 3.12Å; D106-G110 PolarHBondContact O-N 3.43Å
107F59.1Low54.5Low75 Ų7574 Ų7433%0.32939%0.393SS..Hα-helixtrans-72-52.3171.6173.5-100.9000110.8D103 V104 G110 L112 M113D103-F107 WeakPolarHBondContact O-CB 3.32Å; D103-F107 PolarHBondContact O-N 3.31Å; V104-F107 PolarHBondContact O-N 2.81Å; F107-G110 PolarHBondContact O-N 3.43Å; F107-L112 HydrophobicContact CE2-CD2 4.07Å; F107-M113 HydrophobicContact CD1-CG 3.95Å; F107-M113 HydrophobicContact CD1-SD 4.49Å; F107-M113 HydrophobicContact CE1-CE 4.3Å; F107-M113 HydrophobicContact CE1-CG 3.69Å; F107-M113 HydrophobicContact CE1-SD 3.65Å; F107-M113 HydrophobicContact CE2-CG 4.3Å; F107-M113 HydrophobicContact CE2-SD 4.44Å; F107-M113 HydrophobicContact CG-CG 4.36Å; F107-M113 HydrophobicContact CZ-CG 3.88Å; F107-M113 HydrophobicContact CZ-SD 3.62Å; F107-M113 WeakPolarHBondContact O-CB 3.14Å; F107-M113 WeakPolarHBondContact O-CG 3.42Å
108F54.9Low55.3Low58 Ų5877.9 Ų77.925%0.25440%0.402SS..Hα-helixtrans-72.2-41.1-179.7-77.2-76.2000112.2V104 G110 M113 Y120 S122V104-F108 VanDerWaalsContact O-CD2 3.23Å; V104-F108 WeakPolarHBondContact O-CD2 3.42Å; V104-F108 PolarHBondContact O-N 3Å; F108-G110 PolarHBondContact O-N 2.94Å; F108-M113 HydrophobicContact CD1-CE 3.74Å; F108-M113 HydrophobicContact CD1-CG 4.42Å; F108-M113 HydrophobicContact CE1-CE 3.74Å; F108-M113 WeakPolarHBondContact O-CB 3.25Å; F108-Y120 HydrophobicContact CB-CD2 3.74Å; F108-Y120 HydrophobicContact CB-CE2 3.5Å; F108-Y120 HydrophobicContact CD1-CD2 4.24Å; F108-Y120 HydrophobicContact CG-CD2 4.36Å; F108-Y120 WeakPolarHBondContact O-CD1 3.36Å; F108-Y120 WeakPolarHBondContact O-CE1 3.38Å; F108-S122 VanDerWaalsContact CD2-OG 3.23Å; F108-S122 WeakPolarHBondContact CD2-OG 3.49Å; F108-S122 WeakPolarHBondContact CE2-OG 3.41Å
109A56.5Low56Low23 Ų2376.8 Ų76.819%0.1941%0.406CS..SBendtrans-77.5-6.917100000113.8D105 R114 Y120D105-A109 WeakPolarHBondContact O-CA 3.4Å; D105-A109 WeakPolarHBondContact O-CB 3.31Å; D105-A109 PolarHBondContact O-N 3.19Å; A109-R114 PolarHBondContact O-NE 3.49Å; A109-Y120 WeakPolarHBondContact CA-OH 3.24Å; A109-Y120 WeakPolarHBondContact CB-OH 3.31Å; A109-Y120 PolarHBondContact N-OH 2.7Å
110G62.1Low57.1Low8 Ų872.8 Ų72.88%0.08238%0.384CS..SBendtrans-64.3153.6-17600000112.1D106 F107 F108 L112 M113 R114D106-G110 WeakPolarHBondContact O-CA 3.12Å; D106-G110 PolarHBondContact O-N 3.43Å; F107-G110 PolarHBondContact O-N 3.43Å; F108-G110 PolarHBondContact O-N 2.94Å; G110-L112 PolarHBondContact O-N 2.96Å; G110-L112 VanDerWaalsContact O-N 3.08Å; G110-M113 PolarHBondContact O-N 3.32Å; G110-R114 WeakPolarHBondContact O-CG 3.48Å; G110-R114 PolarHBondContact O-N 2.83Å
111P58.6Low57.6Low112 Ų11272.3 Ų72.373%0.72738%0.381SS*.THydrogen-bonded Turntrans-51.7-33.2172-23.532.2000112L115P111-L115 WeakPolarHBondContact O-CG 3.46Å; P111-L115 PolarHBondContact O-N 3.49Å
112L60.9Low58.6Low61 Ų6165.4 Ų65.432%0.31935%0.348SS..THydrogen-bonded Turntrans-62.7-56.3-179.4-175.670.2000112.5F87 F107 G110 R114 L115 F116F87-L112 HydrophobicContact CE1-CD2 4.21Å; F87-L112 HydrophobicContact CZ-CD1 4.33Å; F107-L112 HydrophobicContact CE2-CD2 4.07Å; G110-L112 PolarHBondContact O-N 2.96Å; G110-L112 VanDerWaalsContact O-N 3.08Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 3.32Å; L112-L115 VanDerWaalsContact O-CB 3.27Å; L112-L115 WeakPolarHBondContact O-CB 3.32Å; L112-L115 PolarHBondContact O-N 3.03Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L112-F116 HydrophobicContact CD1-CE2 4.43Å; L112-F116 WeakPolarHBondContact O-CD2 3.12Å; L112-F116 WeakPolarHBondContact O-CE2 3.06Å
113M60.9Low59.3Low24 Ų2463.8 Ų63.812%0.11834%0.342CS..G310 helixtrans-68.9-28-178.1-74.6-62.9-68.900112.6F107 F108 G110 L115 F116 F117F107-M113 HydrophobicContact CD1-CG 3.95Å; F107-M113 HydrophobicContact CD1-SD 4.49Å; F107-M113 HydrophobicContact CE1-CE 4.3Å; F107-M113 HydrophobicContact CE1-CG 3.69Å; F107-M113 HydrophobicContact CE1-SD 3.65Å; F107-M113 HydrophobicContact CE2-CG 4.3Å; F107-M113 HydrophobicContact CE2-SD 4.44Å; F107-M113 HydrophobicContact CG-CG 4.36Å; F107-M113 HydrophobicContact CZ-CG 3.88Å; F107-M113 HydrophobicContact CZ-SD 3.62Å; F107-M113 WeakPolarHBondContact O-CB 3.14Å; F107-M113 WeakPolarHBondContact O-CG 3.42Å; F108-M113 HydrophobicContact CD1-CE 3.74Å; F108-M113 HydrophobicContact CD1-CG 4.42Å; F108-M113 HydrophobicContact CE1-CE 3.74Å; F108-M113 WeakPolarHBondContact O-CB 3.25Å; G110-M113 PolarHBondContact O-N 3.32Å; M113-L115 PolarHBondContact O-N 3.39Å; M113-F116 PolarHBondContact O-N 3.25Å; M113-F117 HydrophobicContact CE-CD2 3.98Å; M113-F117 HydrophobicContact CE-CE2 3.82Å; M113-F117 PolarHBondContact O-N 3.02Å
114R60.8Low59.7Low89 Ų8962.5 Ų62.534%0.33634%0.337SS..G310 helixtrans-66.4-14.6171.8-71.9179.9175.3173.41114.2A109 G110 L112 N151A109-R114 PolarHBondContact O-NE 3.49Å; G110-R114 WeakPolarHBondContact O-CG 3.48Å; G110-R114 PolarHBondContact O-N 2.83Å; L112-R114 VanDerWaalsContact C-N 3.28Å; L112-R114 PolarHBondContact O-N 3.32Å; R114-N151 VanDerWaalsContact CZ-CG 3.46Å; R114-N151 PolarHBondContact NE-ND2 3.35Å; R114-N151 VanDerWaalsContact NE-ND2 3.19Å; R114-N151 PolarHBondContact NH1-ND2 3.01Å; R114-N151 VanDerWaalsContact NH2-CG 3.35Å; R114-N151 PolarHBondContact NH2-ND2 3.28Å; R114-N151 PolarHBondContact NH2-OD1 2.94Å
115L57.5Low59.9Low84 Ų8465.2 Ų65.244%0.4435%0.353SS..G310 helixtrans-74.2-16.1169.4-61.8171.4000112.6P111 L112 M113P111-L115 WeakPolarHBondContact O-CG 3.46Å; P111-L115 PolarHBondContact O-N 3.49Å; L112-L115 VanDerWaalsContact O-CB 3.27Å; L112-L115 WeakPolarHBondContact O-CB 3.32Å; L112-L115 PolarHBondContact O-N 3.03Å; L112-L115 VanDerWaalsContact O-N 3.1Å; M113-L115 PolarHBondContact O-N 3.39Å
116F55.5Low60.3Low73 Ų7368.1 Ų68.132%0.3237%0.365SS..THydrogen-bonded Turntrans-110-28.6-173.9-62.9-90.8000112.9F70 F87 L112 M113F70-F116 HydrophobicContact CD1-CE1 4.06Å; F70-F116 HydrophobicContact CD2-CD1 4.22Å; F70-F116 HydrophobicContact CD2-CE1 4.17Å; F70-F116 HydrophobicContact CE1-CD1 4.28Å; F70-F116 AromaticContact CE1-CE1 3.4Å; F70-F116 HydrophobicContact CE1-CE1 3.4Å; F70-F116 VanDerWaalsContact CE1-CE1 3.4Å; F70-F116 HydrophobicContact CE1-CZ 4.08Å; F70-F116 AromaticContact CE2-CD1 3.53Å; F70-F116 HydrophobicContact CE2-CD1 3.53Å; F70-F116 AromaticContact CE2-CE1 3.52Å; F70-F116 HydrophobicContact CE2-CE1 3.52Å; F70-F116 HydrophobicContact CG-CE1 4.44Å; F70-F116 AromaticContact CZ-CD1 3.61Å; F70-F116 HydrophobicContact CZ-CD1 3.61Å; F70-F116 AromaticContact CZ-CE1 3.12Å; F70-F116 HydrophobicContact CZ-CE1 3.12Å; F70-F116 AromaticContact CZ-CZ 3.96Å; F70-F116 HydrophobicContact CZ-CZ 3.96Å; F87-F116 HydrophobicContact CZ-CZ 4.47Å; L112-F116 HydrophobicContact CD1-CE2 4.43Å; L112-F116 WeakPolarHBondContact O-CD2 3.12Å; L112-F116 WeakPolarHBondContact O-CE2 3.06Å; M113-F116 PolarHBondContact O-N 3.25Å
117F60.7Low60.1Low113 Ų11368 Ų6850%0.49637%0.368SS..  trans-138123.7-173.3-57.4-81000111.9M113 S119M113-F117 HydrophobicContact CE-CD2 3.98Å; M113-F117 HydrophobicContact CE-CE2 3.82Å; M113-F117 PolarHBondContact O-N 3.02Å; F117-S119 WeakPolarHBondContact CB-O 3.24Å; F117-S119 PolarHBondContact O-N 2.66Å
118D58.4Low60Low132 Ų13268.1 Ų68.171%0.70638%0.378SS*.SBendtrans-64.2-24.4169.8-73.4-34.7000112.1
119S61Low59.8Low68 Ų6867.8 Ų67.848%0.47639%0.391SS..SBendtrans-148135.7174-60.70000109.5F117 S144F117-S119 WeakPolarHBondContact CB-O 3.24Å; F117-S119 PolarHBondContact O-N 2.66Å; S119-S144 WeakPolarHBondContact CA-O 3.4Å; S119-S144 WeakPolarHBondContact CB-O 3.48Å; S119-S144 PolarHBondContact OG-O 2.78Å
120Y68.3Low59.7Low14 Ų1472.8 Ų72.86%0.05541%0.41CS..EExtended strand (participates in β ladder)trans-132.4150.6173.967-92.2000109.1F108 A109 T142 T143 S144F108-Y120 HydrophobicContact CB-CD2 3.74Å; F108-Y120 HydrophobicContact CB-CE2 3.5Å; F108-Y120 HydrophobicContact CD1-CD2 4.24Å; F108-Y120 HydrophobicContact CG-CD2 4.36Å; F108-Y120 WeakPolarHBondContact O-CD1 3.36Å; F108-Y120 WeakPolarHBondContact O-CE1 3.38Å; A109-Y120 WeakPolarHBondContact CA-OH 3.24Å; A109-Y120 WeakPolarHBondContact CB-OH 3.31Å; A109-Y120 PolarHBondContact N-OH 2.7Å; Y120-T142 HydrophobicContact CE2-CG2 4.07Å; Y120-T143 CarbonylContact O-C 3.4Å; Y120-T143 VanDerWaalsContact O-CA 3.25Å; Y120-T143 WeakPolarHBondContact O-CA 3.23Å; Y120-S144 VanDerWaalsContact CZ-CB 3.41Å; Y120-S144 PolarHBondContact N-O 2.95Å; Y120-S144 PolarHBondContact O-N 3.24Å
121V63.7Low58.9Low96 Ų9678.9 Ų78.958%0.58245%0.448SS*.EExtended strand (participates in β ladder)trans-122.4118.3170.7176.20000106.3M141 T142 T143V121-M141 HydrophobicContact CG1-CE 3.71Å; V121-T142 WeakPolarHBondContact CA-O 3.22Å; V121-T143 HydrophobicContact CB-CG2 4.35Å; V121-T143 HydrophobicContact CG1-CG2 4.07Å; V121-T143 HydrophobicContact CG2-CG2 3.83Å
122S62.8Low59Low10 Ų1077.8 Ų77.87%0.0746%0.457CS..EExtended strand (participates in β ladder)trans-113.8132.1173.6-175.10000108.9F108 M141 T142F108-S122 VanDerWaalsContact CD2-OG 3.23Å; F108-S122 WeakPolarHBondContact CD2-OG 3.49Å; F108-S122 WeakPolarHBondContact CE2-OG 3.41Å; S122-M141 CarbonylContact O-C 3.55Å; S122-M141 VanDerWaalsContact O-CA 3.27Å; S122-M141 WeakPolarHBondContact O-CA 3.25Å; S122-T142 PolarHBondContact N-O 2.89Å; S122-T142 PolarHBondContact O-N 3.23Å
123T63.1Low58.9Low89 Ų8981.7 Ų81.755%0.54647%0.472SS..EExtended strand (participates in β ladder)trans-126.2123.2176.1-58.60000108.5T140T123-T140 CarbonylContact C-O 3.47Å; T123-T140 WeakPolarHBondContact CA-O 3.49Å
124T63.3Low58.9Low26 Ų2685.2 Ų85.216%0.1651%0.505CS..EExtended strand (participates in β ladder)trans-120.7138.6174.356.70000109.9V104 K139 T140V104-T124 HydrophobicContact CG2-CG2 3.97Å; T124-K139 CarbonylContact O-C 3.51Å; T124-K139 WeakPolarHBondContact O-CA 3.46Å; T124-T140 PolarHBondContact N-O 2.98Å; T124-T140 PolarHBondContact O-N 3.4Å; T124-T140 PolarHBondContact OG1-O 3.45Å
125T58.8Low59Low81 Ų8183.8 Ų83.850%0.49751%0.512SS..EExtended strand (participates in β ladder)trans-125.6120.5176.7-62.20000108.1V137 K139T125-V137 HydrophobicContact CG2-CG1 4.46Å; T125-K139 HydrophobicContact CG2-CG 4.12Å
126F60.3Low59.3Low89 Ų8985.4 Ų85.439%0.3952%0.516SS..EExtended strand (participates in β ladder)trans-113.3132175.9-61.8-84.7000109.4R138F126-R138 PolarHBondContact N-O 3.38Å; F126-R138 PolarHBondContact O-N 3.45Å
127T55.7Low60Low103 Ų10384.6 Ų84.663%0.63252%0.517SS*.EExtended strand (participates in β ladder)trans-116.2109171.956.10000107.4V137T127-V137 HydrophobicContact CG2-CG2 4.31Å
128S56.5Low60.5Low78 Ų7884.4 Ų84.455%0.54551%0.512SS..EExtended strand (participates in β ladder)trans-107.1108.7172.265.90000108.2K136S128-K136 PolarHBondContact N-O 2.9Å; S128-K136 PolarHBondContact O-N 3.1Å
129G50.6Low61.4Low50 Ų5083.2 Ų83.252%0.51550%0.501SS..  trans-129.6123.117700000110.6
130Q55Low62Low128 Ų12880.1 Ų80.160%0.59848%0.479SS*.  trans-78.2143.7161-73.1-176.5-54.900108.4G132 K133Q130-G132 PolarHBondContact O-N 3.32Å; Q130-K133 PolarHBondContact O-N 3.03Å
131P45.6Very low62.2Low136 Ų13683.3 Ų83.388%0.88350%0.496SS*.THydrogen-bonded Turntrans-51.3126.5171.6-22.131.1000110.3
132G59.3Low62.8Low89 Ų8978.9 Ų78.992%0.91847%0.469SS*.THydrogen-bonded Turntrans84.14179.600000116.6Q130Q130-G132 PolarHBondContact O-N 3.32Å
133K59.1Low63.5Low143 Ų14380.1 Ų80.162%0.62248%0.476SS*.SBendtrans-121.1147.6170.2-68.4-176.5-174.9166.20110.8Q130 A135Q130-K133 PolarHBondContact O-N 3.03Å; K133-A135 PolarHBondContact O-N 2.77Å
134A61.1Low64.2Low98 Ų9876.2 Ų76.281%0.8145%0.452SS*.PPolyproline II helixtrans-53.1127.2174.900000110.2K136A134-K136 PolarHBondContact O-N 3.11Å
135A62.7Low64.8Low60 Ų6076.4 Ų76.450%0.49646%0.457SS..PPolyproline II helixtrans-63.7126.5178.200000109.4K133 V137K133-A135 PolarHBondContact O-N 2.77Å; A135-V137 PolarHBondContact O-N 3.45Å
136K64.7Low65.7Low118 Ų11876.6 Ų76.651%0.51346%0.458SS..EExtended strand (participates in β ladder)trans-79.6120.9169.6-68.5-177.4178.4-175.90108.1S128 A134S128-K136 PolarHBondContact N-O 2.9Å; S128-K136 PolarHBondContact O-N 3.1Å; A134-K136 PolarHBondContact O-N 3.11Å
137V69.1Low66.6Low56 Ų5676.7 Ų76.734%0.33946%0.461SS..EExtended strand (participates in β ladder)trans-104.1121.7176.4-175.20000107.9T125 T127 A135 K139 N160T125-V137 HydrophobicContact CG2-CG1 4.46Å; T127-V137 HydrophobicContact CG2-CG2 4.31Å; A135-V137 PolarHBondContact O-N 3.45Å; V137-K139 HydrophobicContact CG1-CG 4.29Å; V137-N160 PolarHBondContact O-N 2.91Å
138R72.7Confident67.8Low108 Ų10879.4 Ų79.441%0.40847%0.472SS..EExtended strand (participates in β ladder)trans-120.3120.7172.1-177.3174.9176.8-157.1-1.1108.8F126 V157 V158 E159F126-R138 PolarHBondContact N-O 3.38Å; F126-R138 PolarHBondContact O-N 3.45Å; R138-V157 HydrophobicContact CG-CG1 4.23Å; R138-V158 CarbonylContact C-O 3.36Å; R138-V158 WeakPolarHBondContact CA-O 3.23Å; R138-E159 HydrophobicContact CB-CB 4.49Å; R138-E159 HydrophobicContact CB-CG 4.26Å; R138-E159 HydrophobicContact CG-CB 4.23Å; R138-E159 HydrophobicContact CG-CG 4.36Å
139K76.4Confident68.7Low107 Ų10779 Ų7947%0.46548%0.48SS..EExtended strand (participates in β ladder)trans-109.5129172.6-57.8179-178.9178.20108T124 T125 V137 V157 V158T124-K139 CarbonylContact O-C 3.51Å; T124-K139 WeakPolarHBondContact O-CA 3.46Å; T125-K139 HydrophobicContact CG2-CG 4.12Å; V137-K139 HydrophobicContact CG1-CG 4.29Å; K139-V157 CarbonylContact O-C 3.56Å; K139-V157 WeakPolarHBondContact O-CA 3.33Å; K139-V158 HydrophobicContact CB-CB 4.34Å; K139-V158 PolarHBondContact N-O 2.78Å; K139-V158 PolarHBondContact O-N 3.32Å
140T73Confident70Confident4 Ų480.9 Ų80.93%0.02547%0.474CS..EExtended strand (participates in β ladder)trans-121.6122.8174.5-56.70000107.8T123 T124 K155 T156 V157T123-T140 CarbonylContact C-O 3.47Å; T123-T140 WeakPolarHBondContact CA-O 3.49Å; T124-T140 PolarHBondContact N-O 2.98Å; T124-T140 PolarHBondContact O-N 3.4Å; T124-T140 PolarHBondContact OG1-O 3.45Å; T140-K155 HydrophobicContact CG2-CG 4.28Å; T140-T156 CarbonylContact C-O 3.51Å; T140-T156 WeakPolarHBondContact CA-O 3.22Å; T140-V157 HydrophobicContact CG2-CG2 4.1Å
141M74Confident71Confident80 Ų8076.3 Ų76.339%0.39445%0.454SS..EExtended strand (participates in β ladder)trans-116.9120.1175.1-179.5-179.7-177.200108V121 S122 T143 K155 T156V121-M141 HydrophobicContact CG1-CE 3.71Å; S122-M141 CarbonylContact O-C 3.55Å; S122-M141 VanDerWaalsContact O-CA 3.27Å; S122-M141 WeakPolarHBondContact O-CA 3.25Å; M141-T143 HydrophobicContact CE-CG2 3.9Å; M141-T143 HydrophobicContact CG-CG2 4.35Å; M141-K155 CarbonylContact O-C 3.56Å; M141-K155 WeakPolarHBondContact O-CA 3.4Å; M141-T156 PolarHBondContact N-O 2.92Å; M141-T156 PolarHBondContact O-N 3.48Å
142T75.9Confident72.8Confident3 Ų370.4 Ų70.42%0.01842%0.415CS..EExtended strand (participates in β ladder)trans-119.3118.3-179.1-60.80000108.2D105 Y120 V121 S122 V153 T154D105-T142 PolarHBondContact OD1-OG1 2.89Å; Y120-T142 HydrophobicContact CE2-CG2 4.07Å; V121-T142 WeakPolarHBondContact CA-O 3.22Å; S122-T142 PolarHBondContact N-O 2.89Å; S122-T142 PolarHBondContact O-N 3.23Å; T142-V153 HydrophobicContact CG2-CG1 3.74Å; T142-T154 CarbonylContact C-O 3.55Å; T142-T154 WeakPolarHBondContact CA-O 3.49Å
143T77.2Confident73.9Confident37 Ų3766.5 Ų66.523%0.22737%0.373CS..EExtended strand (participates in β ladder)trans-114.1138.1175.971.20000109.6Y120 V121 M141 V153 T154Y120-T143 CarbonylContact O-C 3.4Å; Y120-T143 VanDerWaalsContact O-CA 3.25Å; Y120-T143 WeakPolarHBondContact O-CA 3.23Å; V121-T143 HydrophobicContact CB-CG2 4.35Å; V121-T143 HydrophobicContact CG1-CG2 4.07Å; V121-T143 HydrophobicContact CG2-CG2 3.83Å; M141-T143 HydrophobicContact CE-CG2 3.9Å; M141-T143 HydrophobicContact CG-CG2 4.35Å; T143-V153 CarbonylContact O-C 3.55Å; T143-V153 VanDerWaalsContact O-CA 3.24Å; T143-V153 WeakPolarHBondContact O-CA 2.93Å; T143-T154 PolarHBondContact N-O 3.34Å; T143-T154 PolarHBondContact O-N 3.36Å; T143-T154 WeakPolarHBondContact OG1-CB 2.94Å; T143-T154 PolarHBondContact OG1-O 3.23Å
144S76.5Confident75.2Confident6 Ų661.5 Ų61.54%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-120.9140.1169.5-172.30000109.3S119 Y120 N151 V152S119-S144 WeakPolarHBondContact CA-O 3.4Å; S119-S144 WeakPolarHBondContact CB-O 3.48Å; S119-S144 PolarHBondContact OG-O 2.78Å; Y120-S144 VanDerWaalsContact CZ-CB 3.41Å; Y120-S144 PolarHBondContact N-O 2.95Å; Y120-S144 PolarHBondContact O-N 3.24Å; S144-N151 PolarHBondContact OG-OD1 3.37Å; S144-V152 CarbonylContact C-O 3.55Å; S144-V152 VanDerWaalsContact CA-O 3.31Å; S144-V152 WeakPolarHBondContact CA-O 3Å
145A76.1Confident76.3Confident31 Ų3158.9 Ų58.926%0.25633%0.325SS..EExtended strand (participates in β ladder)trans-149.1152.3174.500000109.8I147 V152A145-I147 HydrophobicContact CB-CG1 4.34Å; A145-V152 PolarHBondContact N-O 3.38Å; A145-V152 WeakPolarHBondContact O-CA 3.49Å; A145-V152 PolarHBondContact O-N 2.86Å; A145-V152 VanDerWaalsContact O-O 3.07Å
146V78.7Confident77.3Confident85 Ų8557.3 Ų57.352%0.51531%0.31SS..EExtended strand (participates in β ladder)trans-92.1113.3170.3-178.80000108.7K150V146-K150 CarbonylContact C-O 3.54Å; V146-K150 WeakPolarHBondContact CA-O 3.27Å
147I77.9Confident78.2Confident90 Ų9052.5 Ų52.546%0.46229%0.29SS..EExtended strand (participates in β ladder)trans-118.5120.5179.6-53.1178.8000108A145 G149 K150 V152A145-I147 HydrophobicContact CB-CG1 4.34Å; I147-G149 PolarHBondContact O-N 3.29Å; I147-K150 PolarHBondContact N-O 3.29Å; I147-K150 PolarHBondContact O-N 3.47Å; I147-V152 HydrophobicContact CB-CG2 3.8Å; I147-V152 HydrophobicContact CD1-CB 4.09Å; I147-V152 HydrophobicContact CD1-CG1 4.29Å; I147-V152 HydrophobicContact CD1-CG2 4.02Å; I147-V152 HydrophobicContact CG1-CB 4.29Å; I147-V152 HydrophobicContact CG1-CG2 3.97Å
148N80.9Confident78.9Confident161 Ų16152.2 Ų52.286%0.86129%0.289SS*.THydrogen-bonded Turntrans53.337.3-178-59.9-33.5000113.9K150N148-K150 PolarHBondContact O-N 2.85Å
149G76.8Confident79.3Confident70 Ų7051 Ų5172%0.72229%0.288SS*.THydrogen-bonded Turntrans763.4-179.100000115.1I147I147-G149 PolarHBondContact O-N 3.29Å
150K77.2Confident79.3Confident88 Ų8849.9 Ų49.938%0.38329%0.287SS..EExtended strand (participates in β ladder)trans-101.7143.8174.6-61.8-179.5179.5173.50110.7V146 I147 N148 V152 E169V146-K150 CarbonylContact C-O 3.54Å; V146-K150 WeakPolarHBondContact CA-O 3.27Å; I147-K150 PolarHBondContact N-O 3.29Å; I147-K150 PolarHBondContact O-N 3.47Å; N148-K150 PolarHBondContact O-N 2.85Å; K150-V152 PolarHBondContact O-N 2.7Å; K150-E169 IonicContact NZ-OE2 2.66Å
151N77.2Confident79.4Confident33 Ų3359 Ų5918%0.17633%0.329CS..EExtended strand (participates in β ladder)trans-79.7111.6172.5-169.7-56.4000108.9R114 S144 V153 E169 D170R114-N151 VanDerWaalsContact CZ-CG 3.46Å; R114-N151 PolarHBondContact NE-ND2 3.35Å; R114-N151 VanDerWaalsContact NE-ND2 3.19Å; R114-N151 PolarHBondContact NH1-ND2 3.01Å; R114-N151 VanDerWaalsContact NH2-CG 3.35Å; R114-N151 PolarHBondContact NH2-ND2 3.28Å; R114-N151 PolarHBondContact NH2-OD1 2.94Å; S144-N151 PolarHBondContact OG-OD1 3.37Å; N151-V153 WeakPolarHBondContact OD1-CG2 3.33Å; N151-E169 CarbonylContact O-C 3.43Å; N151-E169 WeakPolarHBondContact O-CA 3.23Å; N151-D170 PolarHBondContact N-OD1 3.47Å; N151-D170 PolarHBondContact O-N 2.94Å
152V82.3Confident79.7Confident11 Ų1160.3 Ų60.37%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-105.5120.1177.7-1720000108.5S144 A145 I147 K150 V167 I168 E169S144-V152 CarbonylContact C-O 3.55Å; S144-V152 VanDerWaalsContact CA-O 3.31Å; S144-V152 WeakPolarHBondContact CA-O 3Å; A145-V152 PolarHBondContact N-O 3.38Å; A145-V152 WeakPolarHBondContact O-CA 3.49Å; A145-V152 PolarHBondContact O-N 2.86Å; A145-V152 VanDerWaalsContact O-O 3.07Å; I147-V152 HydrophobicContact CB-CG2 3.8Å; I147-V152 HydrophobicContact CD1-CB 4.09Å; I147-V152 HydrophobicContact CD1-CG1 4.29Å; I147-V152 HydrophobicContact CD1-CG2 4.02Å; I147-V152 HydrophobicContact CG1-CB 4.29Å; I147-V152 HydrophobicContact CG1-CG2 3.97Å; K150-V152 PolarHBondContact O-N 2.7Å; V152-V167 HydrophobicContact CG1-CG1 3.76Å; V152-I168 CarbonylContact C-O 3.51Å; V152-I168 WeakPolarHBondContact CA-O 3.41Å; V152-E169 HydrophobicContact CG2-CG 4.22Å
153V83.4Confident80.2Confident7 Ų764.2 Ų64.24%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-110.8120.7171.1-175.80000108.2T142 T143 N151 V167 I168T142-V153 HydrophobicContact CG2-CG1 3.74Å; T143-V153 CarbonylContact O-C 3.55Å; T143-V153 VanDerWaalsContact O-CA 3.24Å; T143-V153 WeakPolarHBondContact O-CA 2.93Å; N151-V153 WeakPolarHBondContact OD1-CG2 3.33Å; V153-V167 WeakPolarHBondContact O-CA 3.39Å; V153-I168 HydrophobicContact CB-CB 4.18Å; V153-I168 PolarHBondContact N-O 3.29Å; V153-I168 PolarHBondContact O-N 2.84Å
154T84.7Confident80.6Confident39 Ų3963.2 Ų63.224%0.23934%0.344CS..EExtended strand (participates in β ladder)trans-104.9118.1173-53.80000109T142 T143 V165 E166 V167T142-T154 CarbonylContact C-O 3.55Å; T142-T154 WeakPolarHBondContact CA-O 3.49Å; T143-T154 PolarHBondContact N-O 3.34Å; T143-T154 PolarHBondContact O-N 3.36Å; T143-T154 WeakPolarHBondContact OG1-CB 2.94Å; T143-T154 PolarHBondContact OG1-O 3.23Å; T154-V165 HydrophobicContact CG2-CG1 3.78Å; T154-E166 CarbonylContact C-O 3.54Å; T154-E166 WeakPolarHBondContact CA-O 3.47Å; T154-V167 HydrophobicContact CG2-CG2 4.48Å
155K85.3Confident81.1Confident42 Ų4264.4 Ų64.418%0.18335%0.351CS..EExtended strand (participates in β ladder)trans-111.8111.9178.1-177.9178.6-169.3167.30109.9D105 T140 M141 V157 V165 E166D105-K155 IonicContact OD1-NZ 4Å; D105-K155 WeakPolarHBondContact OD2-CE 3.08Å; D105-K155 IonicContact OD2-NZ 2.68Å; D105-K155 PolarHBondContact OD2-NZ 2.88Å; T140-K155 HydrophobicContact CG2-CG 4.28Å; M141-K155 CarbonylContact O-C 3.56Å; M141-K155 WeakPolarHBondContact O-CA 3.4Å; K155-V157 HydrophobicContact CD-CG2 4.4Å; K155-V157 HydrophobicContact CG-CG2 4.09Å; K155-V165 CarbonylContact O-C 3.54Å; K155-V165 WeakPolarHBondContact O-CA 3.38Å; K155-E166 HydrophobicContact CB-CB 4.29Å; K155-E166 PolarHBondContact N-O 3.14Å; K155-E166 PolarHBondContact O-N 2.69Å
156T84Confident81.7Confident28 Ų2864.7 Ų64.717%0.17235%0.347CS..EExtended strand (participates in β ladder)trans-102.1113.8175.5-59.20000109.6T140 M141 V158 E163 T164 V165T140-T156 CarbonylContact C-O 3.51Å; T140-T156 WeakPolarHBondContact CA-O 3.22Å; M141-T156 PolarHBondContact N-O 2.92Å; M141-T156 PolarHBondContact O-N 3.48Å; T156-V158 HydrophobicContact CG2-CG2 4.29Å; T156-E163 HydrophobicContact CG2-CG 4.24Å; T156-T164 CarbonylContact C-O 3.55Å; T156-T164 WeakPolarHBondContact CA-O 3.35Å; T156-V165 HydrophobicContact CG2-CG2 4.18Å
157V83.8Confident82Confident16 Ų1662.1 Ų62.110%0.09733%0.332CS..EExtended strand (participates in β ladder)trans-109.8120.2175.2-174.80000108.8R138 K139 T140 K155 T164R138-V157 HydrophobicContact CG-CG1 4.23Å; K139-V157 CarbonylContact O-C 3.56Å; K139-V157 WeakPolarHBondContact O-CA 3.33Å; T140-V157 HydrophobicContact CG2-CG2 4.1Å; K155-V157 HydrophobicContact CD-CG2 4.4Å; K155-V157 HydrophobicContact CG-CG2 4.09Å; V157-T164 PolarHBondContact N-O 2.96Å; V157-T164 PolarHBondContact O-N 3.11Å
158V83.6Confident82.3Confident51 Ų5159.9 Ų59.931%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-110.5111.2172.3-176.50000108.2R138 K139 T156 K162 E163R138-V158 CarbonylContact C-O 3.36Å; R138-V158 WeakPolarHBondContact CA-O 3.23Å; K139-V158 HydrophobicContact CB-CB 4.34Å; K139-V158 PolarHBondContact N-O 2.78Å; K139-V158 PolarHBondContact O-N 3.32Å; T156-V158 HydrophobicContact CG2-CG2 4.29Å; V158-K162 WeakPolarHBondContact CA-O 3.3Å; V158-E163 HydrophobicContact CG2-CB 4.45Å; V158-E163 HydrophobicContact CG2-CG 4.19Å
159E80.5Confident82.4Confident82 Ų8254.6 Ų54.638%0.38329%0.29SS..EExtended strand (participates in β ladder)trans-129.8121.8179.5-174.6-179.2177.800109.8R138 E161 K162R138-E159 HydrophobicContact CB-CB 4.49Å; R138-E159 HydrophobicContact CB-CG 4.26Å; R138-E159 HydrophobicContact CG-CB 4.23Å; R138-E159 HydrophobicContact CG-CG 4.36Å; E159-E161 VanDerWaalsContact C-N 3.33Å; E159-E161 PolarHBondContact O-N 2.78Å; E159-K162 PolarHBondContact N-O 3.21Å; E159-K162 VanDerWaalsContact O-CB 3.31Å; E159-K162 WeakPolarHBondContact O-CB 3.47Å; E159-K162 PolarHBondContact O-N 2.94Å
160N76Confident82.6Confident84 Ų8455.9 Ų55.945%0.44928%0.281SS..THydrogen-bonded Turntrans46.751.9178.5-52.6-46.4000113.1V137 K162V137-N160 PolarHBondContact O-N 2.91Å; N160-K162 PolarHBondContact O-N 3.44Å; N160-K162 VanDerWaalsContact O-N 3.14Å
161E75Confident82.7Confident194 Ų19454.8 Ų54.891%0.90729%0.294SS*.THydrogen-bonded Turntrans66.72.3-177.7-52-178154.300116.2E159E159-E161 VanDerWaalsContact C-N 3.33Å; E159-E161 PolarHBondContact O-N 2.78Å
162K80.7Confident82.8Confident108 Ų10862.5 Ų62.547%0.4732%0.321SS..EExtended strand (participates in β ladder)trans-94.2118.4173.1-173.4179.3179.3-179.60110.1V158 E159 N160 V178V158-K162 WeakPolarHBondContact CA-O 3.3Å; E159-K162 PolarHBondContact N-O 3.21Å; E159-K162 VanDerWaalsContact O-CB 3.31Å; E159-K162 WeakPolarHBondContact O-CB 3.47Å; E159-K162 PolarHBondContact O-N 2.94Å; N160-K162 PolarHBondContact O-N 3.44Å; N160-K162 VanDerWaalsContact O-N 3.14Å; K162-V178 HydrophobicContact CD-CG1 4.48Å; K162-V178 HydrophobicContact CG-CG1 4.39Å
163E85.9Confident82.9Confident86 Ų8664.5 Ų64.540%0.40233%0.331SS..EExtended strand (participates in β ladder)trans-95.2129.8175-175.1174.2-168.600110.5T156 V158 V165 V178 N179T156-E163 HydrophobicContact CG2-CG 4.24Å; V158-E163 HydrophobicContact CG2-CB 4.45Å; V158-E163 HydrophobicContact CG2-CG 4.19Å; E163-V165 HydrophobicContact CG-CG2 4.18Å; E163-V178 WeakPolarHBondContact O-CA 3.23Å; E163-N179 PolarHBondContact N-OD1 3.42Å; E163-N179 PolarHBondContact O-N 2.79Å
164T85.6Confident83Confident16 Ų1668.8 Ų68.810%0.09835%0.349CS..EExtended strand (participates in β ladder)trans-127.6115.5175.3-58.50000109.1T156 V157 E166 R176 T177 V178T156-T164 CarbonylContact C-O 3.55Å; T156-T164 WeakPolarHBondContact CA-O 3.35Å; V157-T164 PolarHBondContact N-O 2.96Å; V157-T164 PolarHBondContact O-N 3.11Å; T164-E166 HydrophobicContact CG2-CG 4.26Å; T164-R176 HydrophobicContact CG2-CG 4.22Å; T164-T177 CarbonylContact C-O 3.56Å; T164-T177 VanDerWaalsContact CA-O 3.27Å; T164-T177 WeakPolarHBondContact CA-O 3.11Å; T164-V178 HydrophobicContact CG2-CG2 4.07Å
165V88.1Confident83Confident31 Ų3167.6 Ų67.619%0.18834%0.342CS..EExtended strand (participates in β ladder)trans-107.5123.3176.6-175.40000108.8T154 K155 T156 E163 R176 T177T154-V165 HydrophobicContact CG2-CG1 3.78Å; K155-V165 CarbonylContact O-C 3.54Å; K155-V165 WeakPolarHBondContact O-CA 3.38Å; T156-V165 HydrophobicContact CG2-CG2 4.18Å; E163-V165 HydrophobicContact CG-CG2 4.18Å; V165-R176 CarbonylContact O-C 3.55Å; V165-R176 VanDerWaalsContact O-CA 3.27Å; V165-R176 WeakPolarHBondContact O-CA 3.18Å; V165-T177 PolarHBondContact N-O 3.14Å; V165-T177 PolarHBondContact O-N 3.15Å
166E87.2Confident83Confident37 Ų3770.4 Ų70.417%0.17335%0.352CS..EExtended strand (participates in β ladder)trans-115.6122.1179.1-74.6174.7-173.800109.4T154 K155 T164 L173 S175 R176T154-E166 CarbonylContact C-O 3.54Å; T154-E166 WeakPolarHBondContact CA-O 3.47Å; K155-E166 HydrophobicContact CB-CB 4.29Å; K155-E166 PolarHBondContact N-O 3.14Å; K155-E166 PolarHBondContact O-N 2.69Å; T164-E166 HydrophobicContact CG2-CG 4.26Å; E166-L173 HydrophobicContact CB-CD1 3.74Å; E166-L173 HydrophobicContact CG-CD1 3.97Å; E166-S175 WeakPolarHBondContact CA-O 3.28Å; E166-R176 HydrophobicContact CG-CB 4.35Å; E166-R176 HydrophobicContact CG-CG 3.83Å; E166-R176 IonicContact OE1-CZ 3.29Å; E166-R176 VanDerWaalsContact OE1-CZ 3.29Å; E166-R176 IonicContact OE1-NE 2.8Å; E166-R176 PolarHBondContact OE1-NE 2.87Å; E166-R176 IonicContact OE1-NH2 3.08Å; E166-R176 PolarHBondContact OE1-NH2 3.28Å; E166-R176 VanDerWaalsContact OE1-NH2 3.08Å
167V85.8Confident83.1Confident30 Ų3070.7 Ų70.718%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-106120175.3-173.80000108.6V152 V153 T154 K174 S175V152-V167 HydrophobicContact CG1-CG1 3.76Å; V153-V167 WeakPolarHBondContact O-CA 3.39Å; T154-V167 HydrophobicContact CG2-CG2 4.48Å; V167-K174 PolarHBondContact O-N 3.4Å; V167-S175 VanDerWaalsContact CB-OG 3.31Å; V167-S175 WeakPolarHBondContact CB-OG 3.43Å; V167-S175 VanDerWaalsContact CG2-OG 3.32Å; V167-S175 WeakPolarHBondContact CG2-OG 3.27Å; V167-S175 PolarHBondContact N-O 3.08Å; V167-S175 PolarHBondContact O-N 3.48Å
168I84.9Confident83.1Confident43 Ų4371 Ų7122%0.22136%0.355CS..EExtended strand (participates in β ladder)trans-113.4116.1-177.8-54.7164.6000107V152 V153 R172 L173V152-I168 CarbonylContact C-O 3.51Å; V152-I168 WeakPolarHBondContact CA-O 3.41Å; V153-I168 HydrophobicContact CB-CB 4.18Å; V153-I168 PolarHBondContact N-O 3.29Å; V153-I168 PolarHBondContact O-N 2.84Å; I168-R172 CarbonylContact C-O 3.55Å; I168-R172 WeakPolarHBondContact CA-O 3.47Å; I168-L173 HydrophobicContact CG1-CD1 4.1Å
169E83.5Confident83Confident51 Ų5172.9 Ų72.924%0.23836%0.364CS..EExtended strand (participates in β ladder)trans-105.2126.5172.1-65.1-177.9176.400109.1K150 N151 V152 G171 R172 K174K150-E169 IonicContact NZ-OE2 2.66Å; N151-E169 CarbonylContact O-C 3.43Å; N151-E169 WeakPolarHBondContact O-CA 3.23Å; V152-E169 HydrophobicContact CG2-CG 4.22Å; E169-G171 PolarHBondContact O-N 3.21Å; E169-G171 VanDerWaalsContact O-N 3.15Å; E169-R172 PolarHBondContact N-O 2.84Å; E169-R172 PolarHBondContact O-N 3.05Å; E169-K174 HydrophobicContact CB-CG 3.69Å; E169-K174 HydrophobicContact CG-CB 4.4Å; E169-K174 HydrophobicContact CG-CG 3.69Å; E169-K174 VanDerWaalsContact OE2-CE 3.23Å; E169-K174 WeakPolarHBondContact OE2-CE 3.17Å; E169-K174 IonicContact OE2-NZ 3.78Å
170D80.7Confident82.8Confident97 Ų9776.2 Ų76.252%0.51938%0.384SS..THydrogen-bonded Turntrans51.339.8176.4-55.5-39.7000112.9N151 R172N151-D170 PolarHBondContact N-OD1 3.47Å; N151-D170 PolarHBondContact O-N 2.94Å; D170-R172 VanDerWaalsContact C-N 3.29Å; D170-R172 PolarHBondContact O-N 2.9Å
171G78.5Confident83Confident65 Ų6579.3 Ų79.367%0.6739%0.394SS*.THydrogen-bonded Turntrans77.16.8-178.800000115.1E169E169-G171 PolarHBondContact O-N 3.21Å; E169-G171 VanDerWaalsContact O-N 3.15Å
172R80.2Confident83.3Confident194 Ų19474 Ų7473%0.73237%0.369SS*.EExtended strand (participates in β ladder)trans-113.3126.5176.1-68-177.4174161.71.3111I168 E169 D170 K174I168-R172 CarbonylContact C-O 3.55Å; I168-R172 WeakPolarHBondContact CA-O 3.47Å; E169-R172 PolarHBondContact N-O 2.84Å; E169-R172 PolarHBondContact O-N 3.05Å; D170-R172 VanDerWaalsContact C-N 3.29Å; D170-R172 PolarHBondContact O-N 2.9Å; R172-K174 PolarHBondContact O-N 3.28Å; R172-K174 VanDerWaalsContact O-N 3.14Å
173L83.5Confident83.4Confident54 Ų5468.9 Ų68.928%0.28335%0.347SS..EExtended strand (participates in β ladder)trans-60.5116.7171.2-173.768.9000109.6E166 I168 S175 C185E166-L173 HydrophobicContact CB-CD1 3.74Å; E166-L173 HydrophobicContact CG-CD1 3.97Å; I168-L173 HydrophobicContact CG1-CD1 4.1Å; L173-S175 WeakPolarHBondContact CD1-O 3.12Å; L173-C185 HydrophobicContact CB-CB 4.36Å; L173-C185 HydrophobicContact CD2-CB 3.97Å; L173-C185 VanDerWaalsContact CD2-SG 3.58Å; L173-C185 HydrophobicContact CG-CB 3.86Å; L173-C185 WeakPolarHBondContact O-CB 3.41Å
174K85.3Confident83.2Confident96 Ų9668.7 Ų68.742%0.41735%0.348SS..EExtended strand (participates in β ladder)trans-100.1-41.6-179-79.1-74-171.4160.70112.2V167 E169 R172 C185V167-K174 PolarHBondContact O-N 3.4Å; E169-K174 HydrophobicContact CB-CG 3.69Å; E169-K174 HydrophobicContact CG-CB 4.4Å; E169-K174 HydrophobicContact CG-CG 3.69Å; E169-K174 VanDerWaalsContact OE2-CE 3.23Å; E169-K174 WeakPolarHBondContact OE2-CE 3.17Å; E169-K174 IonicContact OE2-NZ 3.78Å; R172-K174 PolarHBondContact O-N 3.28Å; R172-K174 VanDerWaalsContact O-N 3.14Å; K174-C185 PolarHBondContact O-N 3.49Å
175S85.1Confident83Confident14 Ų1468.5 Ų68.510%0.09835%0.348CS..EExtended strand (participates in β ladder)trans-142.9150.8177.166.80000111E166 V167 L173 A183E166-S175 WeakPolarHBondContact CA-O 3.28Å; V167-S175 VanDerWaalsContact CB-OG 3.31Å; V167-S175 WeakPolarHBondContact CB-OG 3.43Å; V167-S175 VanDerWaalsContact CG2-OG 3.32Å; V167-S175 WeakPolarHBondContact CG2-OG 3.27Å; V167-S175 PolarHBondContact N-O 3.08Å; V167-S175 PolarHBondContact O-N 3.48Å; L173-S175 WeakPolarHBondContact CD1-O 3.12Å; S175-A183 CarbonylContact C-O 3.48Å; S175-A183 VanDerWaalsContact CA-O 3.25Å; S175-A183 WeakPolarHBondContact CA-O 3.37Å
176R85.2Confident82.4Confident101 Ų10170 Ų7038%0.38136%0.363SS..EExtended strand (participates in β ladder)trans-137.2114.1174-175.6176.1-157.5-156.54.6108.1T164 V165 E166 V178 A183T164-R176 HydrophobicContact CG2-CG 4.22Å; V165-R176 CarbonylContact O-C 3.55Å; V165-R176 VanDerWaalsContact O-CA 3.27Å; V165-R176 WeakPolarHBondContact O-CA 3.18Å; E166-R176 HydrophobicContact CG-CB 4.35Å; E166-R176 HydrophobicContact CG-CG 3.83Å; E166-R176 IonicContact OE1-CZ 3.29Å; E166-R176 VanDerWaalsContact OE1-CZ 3.29Å; E166-R176 IonicContact OE1-NE 2.8Å; E166-R176 PolarHBondContact OE1-NE 2.87Å; E166-R176 IonicContact OE1-NH2 3.08Å; E166-R176 PolarHBondContact OE1-NH2 3.28Å; E166-R176 VanDerWaalsContact OE1-NH2 3.08Å; R176-V178 HydrophobicContact CG-CG2 4.18Å; R176-A183 PolarHBondContact N-O 3.26Å; R176-A183 WeakPolarHBondContact O-CA 3.5Å; R176-A183 WeakPolarHBondContact O-CB 3.3Å; R176-A183 PolarHBondContact O-N 3.21Å
177T86Confident81.7Confident34 Ų3478.2 Ų78.221%0.20940%0.398CS..EExtended strand (participates in β ladder)trans-102.1124.7176.3-56.70000108.6T164 V165 K181T164-T177 CarbonylContact C-O 3.56Å; T164-T177 VanDerWaalsContact CA-O 3.27Å; T164-T177 WeakPolarHBondContact CA-O 3.11Å; V165-T177 PolarHBondContact N-O 3.14Å; V165-T177 PolarHBondContact O-N 3.15Å; T177-K181 WeakPolarHBondContact CA-O 3.45Å
178V84.6Confident80.9Confident22 Ų2283.8 Ų83.813%0.13343%0.433CS..EExtended strand (participates in β ladder)trans-122.8119.4176.7-1780000108.4K162 E163 T164 R176 N180 K181K162-V178 HydrophobicContact CD-CG1 4.48Å; K162-V178 HydrophobicContact CG-CG1 4.39Å; E163-V178 WeakPolarHBondContact O-CA 3.23Å; T164-V178 HydrophobicContact CG2-CG2 4.07Å; R176-V178 HydrophobicContact CG-CG2 4.18Å; V178-N180 VanDerWaalsContact C-N 3.32Å; V178-N180 PolarHBondContact O-N 3.44Å; V178-K181 PolarHBondContact N-O 2.91Å; V178-K181 WeakPolarHBondContact O-CB 3.39Å; V178-K181 PolarHBondContact O-N 3.19Å
179N80Confident80.3Confident92 Ų9285 Ų8549%0.49245%0.445SS..THydrogen-bonded Turntrans45.753.7-178-66-11.5000112.6E163 K181E163-N179 PolarHBondContact N-OD1 3.42Å; E163-N179 PolarHBondContact O-N 2.79Å; N179-K181 PolarHBondContact O-N 2.73Å; N179-K181 VanDerWaalsContact O-N 3.14Å
180N76.2Confident79.9Confident152 Ų15285.1 Ų85.181%0.81345%0.451SS*.THydrogen-bonded Turntrans64.64.7-177.3-59.2-31.2000116.9V178V178-N180 VanDerWaalsContact C-N 3.32Å; V178-N180 PolarHBondContact O-N 3.44Å
181K80.6Confident79.7Confident149 Ų14985.4 Ų85.465%0.64846%0.456SS*.EExtended strand (participates in β ladder)trans-95.8109.2172-64.5-174.2178.1-177.70109.8T177 V178 N179 F192T177-K181 WeakPolarHBondContact CA-O 3.45Å; V178-K181 PolarHBondContact N-O 2.91Å; V178-K181 WeakPolarHBondContact O-CB 3.39Å; V178-K181 PolarHBondContact O-N 3.19Å; N179-K181 PolarHBondContact O-N 2.73Å; N179-K181 VanDerWaalsContact O-N 3.14Å; K181-F192 HydrophobicContact CB-CD1 4.18Å; K181-F192 HydrophobicContact CB-CE1 4.44Å
182Q81.6Confident79.6Confident82 Ų8287.7 Ų87.738%0.38345%0.447SS..EExtended strand (participates in β ladder)trans-75.8129.7178.5-172.5170.68.300110.5F192 Q193Q182-F192 WeakPolarHBondContact O-CA 3.33Å; Q182-Q193 VanDerWaalsContact CD-OE1 3.29Å; Q182-Q193 PolarHBondContact O-N 2.83Å; Q182-Q193 VanDerWaalsContact OE1-OE1 3.13Å
183A82.2Confident79Confident1 Ų183 Ų831%0.00843%0.434CS..EExtended strand (participates in β ladder)trans-112.1131.216500000109.6S175 R176 C190 V191 F192S175-A183 CarbonylContact C-O 3.48Å; S175-A183 VanDerWaalsContact CA-O 3.25Å; S175-A183 WeakPolarHBondContact CA-O 3.37Å; R176-A183 PolarHBondContact N-O 3.26Å; R176-A183 WeakPolarHBondContact O-CA 3.5Å; R176-A183 WeakPolarHBondContact O-CB 3.3Å; R176-A183 PolarHBondContact O-N 3.21Å; A183-C190 HydrophobicContact CB-CB 3.94Å; A183-V191 CarbonylContact C-O 3.58Å; A183-V191 VanDerWaalsContact CA-O 3.26Å; A183-V191 WeakPolarHBondContact CA-O 3.16Å; A183-F192 HydrophobicContact CB-CD1 3.69Å; A183-F192 HydrophobicContact CB-CD2 4.36Å; A183-F192 HydrophobicContact CB-CE1 3.8Å; A183-F192 HydrophobicContact CB-CE2 4.45Å; A183-F192 HydrophobicContact CB-CG 3.98Å; A183-F192 HydrophobicContact CB-CZ 4.19Å
184L82.5Confident78.2Confident82 Ų8286.6 Ų86.643%0.42946%0.458SS..EExtended strand (participates in β ladder)trans-87.3123.3169.8-69.6173.6000108.4C190 V191 Q193L184-C190 CarbonylContact O-C 3.5Å; L184-C190 WeakPolarHBondContact O-CA 3.37Å; L184-V191 PolarHBondContact N-O 3.48Å; L184-V191 PolarHBondContact O-N 3.22Å; L184-Q193 HydrophobicContact CD1-CG 3.97Å; L184-Q193 HydrophobicContact CG-CG 4.17Å
185C80.3Confident77Confident12 Ų1289.9 Ų89.98%0.08148%0.48CS..EExtended strand (participates in β ladder)trans-101.6127.5-177.6-59.40000110L173 K174 S189 C190L173-C185 HydrophobicContact CB-CB 4.36Å; L173-C185 HydrophobicContact CD2-CB 3.97Å; L173-C185 VanDerWaalsContact CD2-SG 3.58Å; L173-C185 HydrophobicContact CG-CB 3.86Å; L173-C185 WeakPolarHBondContact O-CB 3.41Å; K174-C185 PolarHBondContact O-N 3.49Å; C185-S189 WeakPolarHBondContact CA-O 3.11Å; C185-C190 HydrophobicContact CB-CB 4.12Å; C185-C190 WeakPolarHBondContact CB-SG 3.45Å; C185-C190 WeakPolarHBondContact SG-CB 3.49Å; C185-C190 CovalentContact SG-SG 2.04Å; C185-C190 PolarHBondContact SG-SG 3.31Å
186A77.5Confident75.5Confident63 Ų6395 Ų9552%0.52152%0.516SS..EExtended strand (participates in β ladder)trans-125.2113172.600000108.5T188 S189A186-T188 PolarHBondContact O-N 2.99Å; A186-S189 PolarHBondContact N-O 3.32Å; A186-S189 PolarHBondContact O-N 3.24Å; A186-S189 VanDerWaalsContact O-N 3.1Å; A186-S189 PolarHBondContact O-OG 3.4Å
187K70.6Confident73.6Confident208 Ų208103.1 Ų103.190%0.90455%0.554SS**THydrogen-bonded Turntrans58.6-95-177.5-58.4176.8180178.10112.5
188T70.5Confident73Confident148 Ų148106.6 Ų106.691%0.90857%0.571SS**THydrogen-bonded Turntrans-115.1-4-174.751.70000112.9A186A186-T188 PolarHBondContact O-N 2.99Å
189S72.5Confident72.4Confident68 Ų68111.1 Ų111.148%0.47660%0.595SS.*EExtended strand (participates in β ladder)trans-118.8130.8-177.9580000110.9C185 A186C185-S189 WeakPolarHBondContact CA-O 3.11Å; A186-S189 PolarHBondContact N-O 3.32Å; A186-S189 PolarHBondContact O-N 3.24Å; A186-S189 VanDerWaalsContact O-N 3.1Å; A186-S189 PolarHBondContact O-OG 3.4Å
190C75Confident71.9Confident54 Ų54112.1 Ų112.137%0.36560%0.6SS.*EExtended strand (participates in β ladder)trans-106.5127.7169.5-58.60000109.3A183 L184 C185A183-C190 HydrophobicContact CB-CB 3.94Å; L184-C190 CarbonylContact O-C 3.5Å; L184-C190 WeakPolarHBondContact O-CA 3.37Å; C185-C190 HydrophobicContact CB-CB 4.12Å; C185-C190 WeakPolarHBondContact CB-SG 3.45Å; C185-C190 WeakPolarHBondContact SG-CB 3.49Å; C185-C190 CovalentContact SG-SG 2.04Å; C185-C190 PolarHBondContact SG-SG 3.31Å
191V76.8Confident71.7Confident102 Ų102109.8 Ų109.862%0.61859%0.588SS**EExtended strand (participates in β ladder)trans-106.3116.7176.2-177.30000107.3A183 L184 Q193A183-V191 CarbonylContact C-O 3.58Å; A183-V191 VanDerWaalsContact CA-O 3.26Å; A183-V191 WeakPolarHBondContact CA-O 3.16Å; L184-V191 PolarHBondContact N-O 3.48Å; L184-V191 PolarHBondContact O-N 3.22Å; V191-Q193 PolarHBondContact O-N 3.1Å
192F75.2Confident71.1Confident113 Ų113107.3 Ų107.350%0.49658%0.584SS.*EExtended strand (participates in β ladder)trans-63.2126.4172.4-72.2-84.1000108.9K181 Q182 A183 T194K181-F192 HydrophobicContact CB-CD1 4.18Å; K181-F192 HydrophobicContact CB-CE1 4.44Å; Q182-F192 WeakPolarHBondContact O-CA 3.33Å; A183-F192 HydrophobicContact CB-CD1 3.69Å; A183-F192 HydrophobicContact CB-CD2 4.36Å; A183-F192 HydrophobicContact CB-CE1 3.8Å; A183-F192 HydrophobicContact CB-CE2 4.45Å; A183-F192 HydrophobicContact CB-CG 3.98Å; A183-F192 HydrophobicContact CB-CZ 4.19Å; F192-T194 PolarHBondContact O-N 3.24Å
193Q68.3Low70.4Confident97 Ų97109 Ų10945%0.45360%0.597SS.*  trans-63.6112.6169.5-79178.3-51.200107.2Q182 L184 V191Q182-Q193 VanDerWaalsContact CD-OE1 3.29Å; Q182-Q193 PolarHBondContact O-N 2.83Å; Q182-Q193 VanDerWaalsContact OE1-OE1 3.13Å; L184-Q193 HydrophobicContact CD1-CG 3.97Å; L184-Q193 HydrophobicContact CG-CG 4.17Å; V191-Q193 PolarHBondContact O-N 3.1Å
194T67.3Low69.6Low128 Ų128116.7 Ų116.779%0.78564%0.639SS**  trans-79.1113.2164.653.70000106.3F192 S196F192-T194 PolarHBondContact O-N 3.24Å; T194-S196 PolarHBondContact O-N 2.91Å
195D59Low68.6Low165 Ų165119.4 Ų119.488%0.88266%0.656SS**  trans-52.7107.7172.8-75.3-39.5000109K197D195-K197 PolarHBondContact O-N 3.28Å
196S53Low67.6Low121 Ų121128.3 Ų128.385%0.84670%0.703SS**  trans-76.5116.8165.8-172.90000106.4T194T194-S196 PolarHBondContact O-N 2.91Å
197K45.9Very low66.7Low273 Ų273134.3 Ų134.3100%1.18772%0.72SS**  trans-38.70176.1-106.7-179.7174.2-175.50115D195D195-K197 PolarHBondContact O-N 3.28Å

Retrieved 197 of 197 residues in 85 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).