A0A3Q0KP73_SCHMA Loading...

Putative radical sam proteins

AlphaFold DB , UniProt , Accession A0A3Q0KP73, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 86 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
1M43.2Very low64.6Low230 Ų230122.8 Ų122.8100%1.13360%0.602SS**  0107.70-170.2165.47700107
2I43.4Very low66.1Low127 Ų127117.7 Ų117.765%0.65158%0.578SS**  trans-89.3114.4-174.2-54.3169000107.1Y4 K5I2-Y4 HydrophobicContact CG2-CD2 4.03Å; I2-Y4 PolarHBondContact O-N 2.65Å; I2-Y4 VanDerWaalsContact O-N 3.11Å; I2-K5 PolarHBondContact O-N 2.91Å
3P58.1Low67.6Low95 Ų95117.1 Ų117.162%0.61758%0.578SS**Hα-helixtrans-63.4-19.9-171.625.1-34.6000113.8K5P3-K5 VanDerWaalsContact C-N 3.32Å; P3-K5 PolarHBondContact O-N 3.32Å
4Y51.6Low68.8Low175 Ų175114.7 Ų114.769%0.68657%0.569SS**Hα-helixtrans-63.7-34.3178-70.9-79.9000113.3I2 T6 T7 M8I2-Y4 HydrophobicContact CG2-CD2 4.03Å; I2-Y4 PolarHBondContact O-N 2.65Å; I2-Y4 VanDerWaalsContact O-N 3.11Å; Y4-T6 PolarHBondContact O-N 2.66Å; Y4-T7 PolarHBondContact O-N 2.86Å; Y4-M8 WeakPolarHBondContact O-CB 3.33Å; Y4-M8 WeakPolarHBondContact O-CE 3.25Å; Y4-M8 VanDerWaalsContact O-CG 3.32Å; Y4-M8 WeakPolarHBondContact O-CG 3.49Å; Y4-M8 PolarHBondContact O-N 3.34Å; Y4-M8 VanDerWaalsContact O-N 3.1Å
5K59.5Low69.8Low132 Ų132108.5 Ų108.557%0.57454%0.539SS*.Hα-helixtrans-61.8-45.7-174-167.4172.2176.6179.60111.5I2 P3 T7 M8 E9I2-K5 PolarHBondContact O-N 2.91Å; P3-K5 VanDerWaalsContact C-N 3.32Å; P3-K5 PolarHBondContact O-N 3.32Å; K5-T7 PolarHBondContact O-N 3.45Å; K5-M8 PolarHBondContact O-N 3.15Å; K5-E9 WeakPolarHBondContact CE-OE1 3.18Å; K5-E9 HydrophobicContact CG-CG 4.28Å; K5-E9 WeakPolarHBondContact O-CB 3.48Å; K5-E9 WeakPolarHBondContact O-CG 3.42Å; K5-E9 PolarHBondContact O-N 2.87Å
6T70.1Confident70.8Confident80 Ų80107.5 Ų107.549%0.49153%0.53SS..Hα-helixtrans-66.1-39-177.1-47.30000113.3Y4 E9 K10Y4-T6 PolarHBondContact O-N 2.66Å; T6-E9 WeakPolarHBondContact CA-OE2 3.46Å; T6-K10 PolarHBondContact O-N 3.39Å
7T72.5Confident71.7Confident90 Ų90110.9 Ų110.955%0.55254%0.536SS*.Hα-helixtrans-71.8-41.4179.3-54.70000111.3Y4 K5 K10 K11Y4-T7 PolarHBondContact O-N 2.86Å; K5-T7 PolarHBondContact O-N 3.45Å; T7-K10 PolarHBondContact O-N 3.33Å; T7-K11 PolarHBondContact O-N 2.76Å
8M73Confident72.4Confident84 Ų84112.5 Ų112.541%0.41454%0.535SS..Hα-helixtrans-65.1-42.3176-68.1-173.9-60.600111.3Y4 K5 K10 K11 I12Y4-M8 WeakPolarHBondContact O-CB 3.33Å; Y4-M8 WeakPolarHBondContact O-CE 3.25Å; Y4-M8 VanDerWaalsContact O-CG 3.32Å; Y4-M8 WeakPolarHBondContact O-CG 3.49Å; Y4-M8 PolarHBondContact O-N 3.34Å; Y4-M8 VanDerWaalsContact O-N 3.1Å; K5-M8 PolarHBondContact O-N 3.15Å; M8-K10 VanDerWaalsContact C-N 3.3Å; M8-K10 PolarHBondContact O-N 2.9Å; M8-K11 PolarHBondContact O-N 2.94Å; M8-I12 HydrophobicContact CB-CD1 4.25Å; M8-I12 VanDerWaalsContact O-CB 3.31Å; M8-I12 WeakPolarHBondContact O-CB 2.96Å; M8-I12 WeakPolarHBondContact O-CD1 3.46Å; M8-I12 WeakPolarHBondContact O-CG1 3.44Å; M8-I12 PolarHBondContact O-N 3.14Å
9E78.8Confident73.1Confident95 Ų95106.8 Ų106.844%0.44451%0.508SS..Hα-helixtrans-56.8-42.2177.7-77.4170.1139.300112.2K5 T6 N13K5-E9 WeakPolarHBondContact CE-OE1 3.18Å; K5-E9 HydrophobicContact CG-CG 4.28Å; K5-E9 WeakPolarHBondContact O-CB 3.48Å; K5-E9 WeakPolarHBondContact O-CG 3.42Å; K5-E9 PolarHBondContact O-N 2.87Å; T6-E9 WeakPolarHBondContact CA-OE2 3.46Å; E9-N13 VanDerWaalsContact O-CB 3.3Å; E9-N13 WeakPolarHBondContact O-CB 3.38Å; E9-N13 PolarHBondContact O-N 3.48Å
10K80.5Confident73.7Confident159 Ų159105.9 Ų105.969%0.69150%0.503SS*.Hα-helixtrans-64.9-46.4175.8-74.9-177.3177.6177.40112.5T6 T7 M8 N13 D14T6-K10 PolarHBondContact O-N 3.39Å; T7-K10 PolarHBondContact O-N 3.33Å; M8-K10 VanDerWaalsContact C-N 3.3Å; M8-K10 PolarHBondContact O-N 2.9Å; K10-N13 PolarHBondContact O-N 2.91Å; K10-D14 PolarHBondContact O-N 3.17Å; K10-D14 VanDerWaalsContact O-N 3.11Å
11K79.4Confident74.3Confident84 Ų84105.8 Ų105.837%0.36550%0.503SS..Hα-helixtrans-60.8-51.8176.6-76.4-169.2169.8-167.60110.1T7 M8 N13 D14 L15 L74 D77T7-K11 PolarHBondContact O-N 2.76Å; M8-K11 PolarHBondContact O-N 2.94Å; K11-N13 VanDerWaalsContact C-N 3.26Å; K11-N13 PolarHBondContact O-N 2.76Å; K11-D14 PolarHBondContact O-N 3.14Å; K11-D14 VanDerWaalsContact O-N 3.09Å; K11-L15 VanDerWaalsContact O-CG 3.25Å; K11-L15 WeakPolarHBondContact O-CG 2.95Å; K11-L15 PolarHBondContact O-N 3.48Å; K11-L74 HydrophobicContact CB-CD2 3.77Å; K11-L74 HydrophobicContact CD-CD2 3.74Å; K11-L74 HydrophobicContact CG-CD2 4.4Å; K11-D77 IonicContact NZ-OD1 2.67Å; K11-D77 PolarHBondContact NZ-OD1 3.24Å
12I83.5Confident76.2Confident61 Ų6196.7 Ų96.731%0.31346%0.458SS..Hα-helixtrans-52.4-44.4176.8-71163.5000111.4M8 L15 K16 I70 L74M8-I12 HydrophobicContact CB-CD1 4.25Å; M8-I12 VanDerWaalsContact O-CB 3.31Å; M8-I12 WeakPolarHBondContact O-CB 2.96Å; M8-I12 WeakPolarHBondContact O-CD1 3.46Å; M8-I12 WeakPolarHBondContact O-CG1 3.44Å; M8-I12 PolarHBondContact O-N 3.14Å; I12-L15 PolarHBondContact O-N 2.92Å; I12-K16 VanDerWaalsContact O-CB 3.23Å; I12-K16 WeakPolarHBondContact O-CB 3.43Å; I12-K16 PolarHBondContact O-N 3.4Å; I12-I70 HydrophobicContact CB-CD1 4.47Å; I12-I70 HydrophobicContact CD1-CG2 4.49Å; I12-I70 HydrophobicContact CG1-CD1 4.36Å; I12-I70 HydrophobicContact CG1-CG2 3.77Å; I12-I70 HydrophobicContact CG2-CD1 3.75Å; I12-L74 HydrophobicContact CD1-CD1 4.39Å; I12-L74 HydrophobicContact CG1-CD1 4.1Å
13N85.6Confident78.2Confident110 Ų11091 Ų9159%0.58843%0.429SS*.Hα-helixtrans-65.9-40.2179.9-173.182.1000112.9E9 K10 K11 R17E9-N13 VanDerWaalsContact O-CB 3.3Å; E9-N13 WeakPolarHBondContact O-CB 3.38Å; E9-N13 PolarHBondContact O-N 3.48Å; K10-N13 PolarHBondContact O-N 2.91Å; K11-N13 VanDerWaalsContact C-N 3.26Å; K11-N13 PolarHBondContact O-N 2.76Å; N13-R17 PolarHBondContact O-N 3.38Å
14D84.3Confident79.4Confident84 Ų8492.1 Ų92.145%0.44942%0.424SS..Hα-helixtrans-64.4-45.5174.6-167.8-104.9000111.1K10 K11 K16 R17 R18K10-D14 PolarHBondContact O-N 3.17Å; K10-D14 VanDerWaalsContact O-N 3.11Å; K11-D14 PolarHBondContact O-N 3.14Å; K11-D14 VanDerWaalsContact O-N 3.09Å; D14-K16 VanDerWaalsContact C-N 3.34Å; D14-K16 PolarHBondContact O-N 2.84Å; D14-R17 PolarHBondContact O-N 3.16Å; D14-R18 WeakPolarHBondContact O-CG 3.3Å; D14-R18 PolarHBondContact O-N 3.36Å
15L83.1Confident81Confident21 Ų2188.3 Ų88.311%0.1142%0.416CS..Hα-helixtrans-61.3-42.7176.8-64.1-173000112.2K11 I12 R17 R18 F19 F69 I70 L73K11-L15 VanDerWaalsContact O-CG 3.25Å; K11-L15 WeakPolarHBondContact O-CG 2.95Å; K11-L15 PolarHBondContact O-N 3.48Å; I12-L15 PolarHBondContact O-N 2.92Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-R17 PolarHBondContact O-N 3.35Å; L15-R18 PolarHBondContact O-N 3Å; L15-F19 VanDerWaalsContact O-CB 3.28Å; L15-F19 WeakPolarHBondContact O-CB 3.36Å; L15-F19 PolarHBondContact O-N 3.02Å; L15-F69 HydrophobicContact CB-CD1 4.03Å; L15-F69 HydrophobicContact CB-CE1 4.01Å; L15-F69 HydrophobicContact CD2-CE1 3.95Å; L15-F69 HydrophobicContact CG-CE1 4.48Å; L15-I70 HydrophobicContact CB-CG1 4.17Å; L15-I70 HydrophobicContact CD1-CB 4.37Å; L15-I70 HydrophobicContact CD1-CG1 4.15Å; L15-L73 HydrophobicContact CD1-CB 3.61Å; L15-L73 HydrophobicContact CD1-CD1 4.01Å; L15-L73 HydrophobicContact CD1-CG 4.42Å; L15-L73 HydrophobicContact CD2-CB 4.11Å; L15-L73 HydrophobicContact CD2-CD1 3.23Å; L15-L73 HydrophobicContact CD2-CG 4.22Å; L15-L73 HydrophobicContact CG-CB 4.5Å; L15-L73 HydrophobicContact CG-CD1 4.17Å
16K85.6Confident82.2Confident93 Ų9388.4 Ų88.440%0.40442%0.416SS..Hα-helixtrans-61.2-44.1176.1-173.4-175.9173.9-173.70111.2I12 D14 R18 F19 E20 L66I12-K16 VanDerWaalsContact O-CB 3.23Å; I12-K16 WeakPolarHBondContact O-CB 3.43Å; I12-K16 PolarHBondContact O-N 3.4Å; D14-K16 VanDerWaalsContact C-N 3.34Å; D14-K16 PolarHBondContact O-N 2.84Å; K16-R18 PolarHBondContact O-N 2.83Å; K16-F19 WeakPolarHBondContact O-CB 3.44Å; K16-F19 PolarHBondContact O-N 3.25Å; K16-E20 WeakPolarHBondContact CE-OE2 3.36Å; K16-E20 HydrophobicContact CG-CG 4.47Å; K16-E20 WeakPolarHBondContact O-CG 3.4Å; K16-E20 PolarHBondContact O-N 2.87Å; K16-L66 HydrophobicContact CB-CD1 4.05Å; K16-L66 HydrophobicContact CD-CD2 4.33Å; K16-L66 HydrophobicContact CG-CD1 4.11Å; K16-L66 HydrophobicContact CG-CD2 3.98Å
17R87Confident83Confident166 Ų16690.6 Ų90.663%0.62643%0.425SS*.Hα-helixtrans-60.4-45.9176.5-175.8179.1179.2175.11.7111.5N13 D14 L15 F19 E20 E21N13-R17 PolarHBondContact O-N 3.38Å; D14-R17 PolarHBondContact O-N 3.16Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-R17 PolarHBondContact O-N 3.35Å; R17-F19 VanDerWaalsContact C-N 3.3Å; R17-F19 PolarHBondContact O-N 3.48Å; R17-E20 PolarHBondContact O-N 3.13Å; R17-E21 WeakPolarHBondContact O-CG 3.29Å; R17-E21 PolarHBondContact O-N 2.82Å
18R83.3Confident83.6Confident139 Ų13988 Ų8853%0.52542%0.415SS..Hα-helixtrans-61.4-41.6175.9-65.3-58.3-177.2105.64.3111.8D14 L15 K16 E21 L22 F69D14-R18 WeakPolarHBondContact O-CG 3.3Å; D14-R18 PolarHBondContact O-N 3.36Å; L15-R18 PolarHBondContact O-N 3Å; K16-R18 PolarHBondContact O-N 2.83Å; R18-E21 WeakPolarHBondContact CD-OE2 3Å; R18-E21 WeakPolarHBondContact O-CB 3.35Å; R18-E21 PolarHBondContact O-N 2.92Å; R18-L22 WeakPolarHBondContact O-CG 3.37Å; R18-L22 PolarHBondContact O-N 3.14Å; R18-F69 HydrophobicContact CB-CE1 4.45Å
19F85.4Confident84.3Confident4 Ų485 Ų852%0.01840%0.403CS..Hα-helixtrans-62.1-44.2177-171.7-86.5000111.6L15 K16 R17 E21 L22 D23 G28 V30 I64 L66 F69L15-F19 VanDerWaalsContact O-CB 3.28Å; L15-F19 WeakPolarHBondContact O-CB 3.36Å; L15-F19 PolarHBondContact O-N 3.02Å; K16-F19 WeakPolarHBondContact O-CB 3.44Å; K16-F19 PolarHBondContact O-N 3.25Å; R17-F19 VanDerWaalsContact C-N 3.3Å; R17-F19 PolarHBondContact O-N 3.48Å; F19-E21 PolarHBondContact O-N 3.29Å; F19-L22 PolarHBondContact O-N 3.05Å; F19-L22 VanDerWaalsContact O-N 3.08Å; F19-D23 HydrophobicContact CD1-CB 4.16Å; F19-D23 HydrophobicContact CE1-CB 4Å; F19-D23 VanDerWaalsContact O-CB 3.27Å; F19-D23 WeakPolarHBondContact O-CB 3.47Å; F19-D23 PolarHBondContact O-N 3.02Å; F19-G28 WeakPolarHBondContact CE1-O 3.23Å; F19-G28 WeakPolarHBondContact CZ-O 3.25Å; F19-V30 HydrophobicContact CD1-CG2 4.44Å; F19-V30 HydrophobicContact CD2-CG2 4.01Å; F19-V30 HydrophobicContact CE1-CG2 4.04Å; F19-V30 HydrophobicContact CE2-CB 4.23Å; F19-V30 HydrophobicContact CE2-CG2 3.59Å; F19-V30 HydrophobicContact CG-CG2 4.42Å; F19-V30 HydrophobicContact CZ-CB 4.34Å; F19-V30 HydrophobicContact CZ-CG2 3.62Å; F19-I64 HydrophobicContact CE2-CG2 4.38Å; F19-I64 WeakPolarHBondContact CE2-O 3.3Å; F19-I64 VanDerWaalsContact CZ-O 3.29Å; F19-I64 WeakPolarHBondContact CZ-O 3.25Å; F19-L66 HydrophobicContact CB-CD1 3.79Å; F19-L66 HydrophobicContact CD1-CB 4.23Å; F19-L66 HydrophobicContact CD1-CD1 4.08Å; F19-L66 HydrophobicContact CD2-CD1 4.28Å; F19-L66 HydrophobicContact CE1-CB 4.11Å; F19-L66 HydrophobicContact CE2-CB 4.41Å; F19-L66 HydrophobicContact CG-CB 4.43Å; F19-L66 HydrophobicContact CG-CD1 3.78Å; F19-L66 HydrophobicContact CZ-CB 4.17Å; F19-F69 HydrophobicContact CB-CD1 4.4Å; F19-F69 HydrophobicContact CD2-CB 4.01Å; F19-F69 HydrophobicContact CD2-CD1 4.29Å; F19-F69 HydrophobicContact CD2-CG 4.11Å; F19-F69 HydrophobicContact CE2-CB 4.37Å
20E86.7Confident84.8Confident89 Ų8980.5 Ų80.542%0.41638%0.382SS..Hα-helixtrans-65.3-18.9176.6-73.2-178.674.600114.3K16 R17 K26K16-E20 WeakPolarHBondContact CE-OE2 3.36Å; K16-E20 HydrophobicContact CG-CG 4.47Å; K16-E20 WeakPolarHBondContact O-CG 3.4Å; K16-E20 PolarHBondContact O-N 2.87Å; R17-E20 PolarHBondContact O-N 3.13Å; E20-K26 PolarHBondContact O-NZ 3.08Å
21E84.8Confident85.2Confident104 Ų10475.2 Ų75.249%0.48636%0.363SS..Hα-helixtrans-79.8-35.5172.1-69.4177.8106.400111.6R17 R18 F19R17-E21 WeakPolarHBondContact O-CG 3.29Å; R17-E21 PolarHBondContact O-N 2.82Å; R18-E21 WeakPolarHBondContact CD-OE2 3Å; R18-E21 WeakPolarHBondContact O-CB 3.35Å; R18-E21 PolarHBondContact O-N 2.92Å; F19-E21 PolarHBondContact O-N 3.29Å
22L82.9Confident85.5Confident38 Ų3875.3 Ų75.320%0.19937%0.366CS..Hα-helixtrans-77.9-38.2176.8-60.6175.3000112.1R18 F19 K24 V30 F35 E38R18-L22 WeakPolarHBondContact O-CG 3.37Å; R18-L22 PolarHBondContact O-N 3.14Å; F19-L22 PolarHBondContact O-N 3.05Å; F19-L22 VanDerWaalsContact O-N 3.08Å; L22-K24 PolarHBondContact O-N 3.22Å; L22-K24 VanDerWaalsContact O-N 3.14Å; L22-V30 HydrophobicContact CB-CG1 4.27Å; L22-V30 HydrophobicContact CB-CG2 3.84Å; L22-F35 HydrophobicContact CD1-CD2 4.21Å; L22-F35 HydrophobicContact CD1-CE2 4.03Å; L22-F35 HydrophobicContact CD2-CE2 4.47Å; L22-E38 HydrophobicContact CD2-CB 4.47Å; L22-E38 HydrophobicContact CD2-CG 3.68Å
23D86.9Confident85.6Confident7 Ų779.3 Ų79.34%0.03738%0.381CS..  trans-77.691.7-179.8-175.92.3000109.8F19 K26 D27 G28 V30F19-D23 HydrophobicContact CD1-CB 4.16Å; F19-D23 HydrophobicContact CE1-CB 4Å; F19-D23 VanDerWaalsContact O-CB 3.27Å; F19-D23 WeakPolarHBondContact O-CB 3.47Å; F19-D23 PolarHBondContact O-N 3.02Å; D23-K26 VanDerWaalsContact OD1-CA 3.23Å; D23-K26 WeakPolarHBondContact OD1-CA 3.05Å; D23-K26 PolarHBondContact OD1-N 3.34Å; D23-K26 WeakPolarHBondContact OD2-CA 3.45Å; D23-D27 PolarHBondContact OD1-N 3.22Å; D23-G28 VanDerWaalsContact OD2-CA 3.25Å; D23-G28 WeakPolarHBondContact OD2-CA 3.43Å; D23-G28 PolarHBondContact OD2-N 3.09Å; D23-V30 HydrophobicContact CB-CG2 3.82Å
24K82.6Confident85.7Confident119 Ų11974.7 Ų74.752%0.51736%0.356SS..SBendtrans-75.3-37.4-176.4-66.1-64.2-173.7-166.90110.8L22 E34 E38 E41L22-K24 PolarHBondContact O-N 3.22Å; L22-K24 VanDerWaalsContact O-N 3.14Å; K24-E34 PolarHBondContact N-OE1 3.31Å; K24-E34 VanDerWaalsContact N-OE1 3.17Å; K24-E38 WeakPolarHBondContact CE-OE1 3.34Å; K24-E38 IonicContact NZ-OE1 2.71Å; K24-E38 PolarHBondContact NZ-OE1 2.71Å; K24-E41 IonicContact NZ-OE1 2.96Å
25D86.5Confident85.8Confident95 Ų9571.4 Ų71.451%0.50834%0.338SS..SBendtrans-84-14-178.965.9-131.6000113.8D27 E34D25-D27 PolarHBondContact O-N 3.2Å; D25-D27 WeakPolarHBondContact OD2-CB 3.47Å; D25-D27 PolarHBondContact OD2-N 3.23Å; D25-E34 PolarHBondContact N-OE1 2.9Å
26K82.8Confident85.9Confident134 Ų13473.1 Ų73.158%0.58334%0.344SS*.  trans61.229.4178.3-59.4-166.8175.6-61.40113.2E20 D23 G28E20-K26 PolarHBondContact O-NZ 3.08Å; D23-K26 VanDerWaalsContact OD1-CA 3.23Å; D23-K26 WeakPolarHBondContact OD1-CA 3.05Å; D23-K26 PolarHBondContact OD1-N 3.34Å; D23-K26 WeakPolarHBondContact OD2-CA 3.45Å; K26-G28 PolarHBondContact O-N 3.26Å
27D88Confident86Confident127 Ų12773.8 Ų73.868%0.67935%0.349SS*.SBendtrans-72.4-13.6170.8-168.7-106.7000112D23 D25D23-D27 PolarHBondContact OD1-N 3.22Å; D25-D27 PolarHBondContact O-N 3.2Å; D25-D27 WeakPolarHBondContact OD2-CB 3.47Å; D25-D27 PolarHBondContact OD2-N 3.23Å
28G85.9Confident85.9Confident34 Ų3466.8 Ų66.835%0.35132%0.323SS..SBendtrans89.79.1-178.300000113.6F19 D23 K26F19-G28 WeakPolarHBondContact CE1-O 3.23Å; F19-G28 WeakPolarHBondContact CZ-O 3.25Å; D23-G28 VanDerWaalsContact OD2-CA 3.25Å; D23-G28 WeakPolarHBondContact OD2-CA 3.43Å; D23-G28 PolarHBondContact OD2-N 3.09Å; K26-G28 PolarHBondContact O-N 3.26Å
29S87.7Confident86Confident21 Ų2161 Ų6115%0.14730%0.302CS..EExtended strand (participates in β ladder)trans-137.4126.9177.9-54.20000108.8
30V88.1Confident86Confident2 Ų264.9 Ų64.91%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-91.2109.9176.2178.90000108.6F19 L22 D23 E34 F35 R63 I64F19-V30 HydrophobicContact CD1-CG2 4.44Å; F19-V30 HydrophobicContact CD2-CG2 4.01Å; F19-V30 HydrophobicContact CE1-CG2 4.04Å; F19-V30 HydrophobicContact CE2-CB 4.23Å; F19-V30 HydrophobicContact CE2-CG2 3.59Å; F19-V30 HydrophobicContact CG-CG2 4.42Å; F19-V30 HydrophobicContact CZ-CB 4.34Å; F19-V30 HydrophobicContact CZ-CG2 3.62Å; L22-V30 HydrophobicContact CB-CG1 4.27Å; L22-V30 HydrophobicContact CB-CG2 3.84Å; D23-V30 HydrophobicContact CB-CG2 3.82Å; V30-E34 HydrophobicContact CG1-CB 4.31Å; V30-F35 HydrophobicContact CG1-CB 3.76Å; V30-F35 HydrophobicContact CG1-CD2 4.14Å; V30-F35 HydrophobicContact CG1-CG 4.42Å; V30-R63 CarbonylContact O-C 3.56Å; V30-R63 WeakPolarHBondContact O-CA 3.27Å; V30-I64 PolarHBondContact N-O 3.43Å; V30-I64 PolarHBondContact O-N 3.36Å
31T88.9Confident86Confident48 Ų4867.4 Ų67.429%0.29433%0.334SS..EExtended strand (participates in β ladder)trans-72.5157177.662.40000111.8K33 E34 F35 R63T31-K33 PolarHBondContact O-N 3.07Å; T31-E34 PolarHBondContact N-OE2 3.33Å; T31-E34 PolarHBondContact O-N 2.82Å; T31-E34 VanDerWaalsContact O-N 3.14Å; T31-E34 WeakPolarHBondContact OG1-CG 3.36Å; T31-E34 PolarHBondContact OG1-N 2.87Å; T31-E34 PolarHBondContact OG1-OE2 3.17Å; T31-F35 WeakPolarHBondContact O-CB 3.41Å; T31-F35 PolarHBondContact O-N 3.28Å; T31-R63 HydrophobicContact CG2-CB 4.3Å
32M85Confident85.9Confident85 Ų8568.2 Ų68.242%0.41934%0.338SS..Hα-helixtrans-52.1-32.6172.4-177.3-176.6176.200112K36 A50 M53 G62M32-K36 WeakPolarHBondContact O-CB 3.35Å; M32-K36 PolarHBondContact O-N 2.93Å; M32-A50 HydrophobicContact CE-CB 4.38Å; M32-M53 HydrophobicContact CB-CE 4.12Å; M32-M53 HydrophobicContact CB-CG 4.48Å; M32-M53 HydrophobicContact CB-SD 4.34Å; M32-M53 HydrophobicContact CG-CG 4.46Å; M32-G62 PolarHBondContact N-O 2.82Å
33K87.2Confident86.1Confident145 Ų14569.6 Ų69.663%0.6336%0.362SS*.Hα-helixtrans-68.5-52.9179-169.9-172.3169.6-164.20111.1T31 F35 K36 E37T31-K33 PolarHBondContact O-N 3.07Å; K33-F35 PolarHBondContact O-N 3.47Å; K33-K36 WeakPolarHBondContact O-CB 3.38Å; K33-K36 PolarHBondContact O-N 2.65Å; K33-E37 VanDerWaalsContact CE-OE2 3.25Å; K33-E37 WeakPolarHBondContact CE-OE2 3.33Å; K33-E37 WeakPolarHBondContact CG-OE2 3.18Å; K33-E37 WeakPolarHBondContact O-CB 3.09Å; K33-E37 WeakPolarHBondContact O-CG 3.09Å; K33-E37 PolarHBondContact O-N 2.82Å
34E87.5Confident86Confident14 Ų1473.9 Ų73.97%0.06538%0.38CS..Hα-helixtrans-63-43.2178.5-68.4168.990.400112K24 D25 V30 T31 K36 E37 E38K24-E34 PolarHBondContact N-OE1 3.31Å; K24-E34 VanDerWaalsContact N-OE1 3.17Å; D25-E34 PolarHBondContact N-OE1 2.9Å; V30-E34 HydrophobicContact CG1-CB 4.31Å; T31-E34 PolarHBondContact N-OE2 3.33Å; T31-E34 PolarHBondContact O-N 2.82Å; T31-E34 VanDerWaalsContact O-N 3.14Å; T31-E34 WeakPolarHBondContact OG1-CG 3.36Å; T31-E34 PolarHBondContact OG1-N 2.87Å; T31-E34 PolarHBondContact OG1-OE2 3.17Å; E34-K36 VanDerWaalsContact C-N 3.27Å; E34-K36 PolarHBondContact O-N 2.78Å; E34-E37 PolarHBondContact O-N 2.85Å; E34-E37 VanDerWaalsContact O-N 3.16Å; E34-E38 WeakPolarHBondContact O-CB 3.47Å; E34-E38 PolarHBondContact O-N 2.97Å
35F85.3Confident86.2Confident14 Ų1472.2 Ų72.26%0.06138%0.381CS..Hα-helixtrans-61-40.2177.5-168.5-106.9000111.9L22 V30 T31 K33 L39 A49 F52L22-F35 HydrophobicContact CD1-CD2 4.21Å; L22-F35 HydrophobicContact CD1-CE2 4.03Å; L22-F35 HydrophobicContact CD2-CE2 4.47Å; V30-F35 HydrophobicContact CG1-CB 3.76Å; V30-F35 HydrophobicContact CG1-CD2 4.14Å; V30-F35 HydrophobicContact CG1-CG 4.42Å; T31-F35 WeakPolarHBondContact O-CB 3.41Å; T31-F35 PolarHBondContact O-N 3.28Å; K33-F35 PolarHBondContact O-N 3.47Å; F35-L39 HydrophobicContact CD1-CD1 3.71Å; F35-L39 HydrophobicContact CE1-CD1 3.2Å; F35-L39 HydrophobicContact CE1-CG 4.18Å; F35-L39 HydrophobicContact CE2-CD1 4.49Å; F35-L39 HydrophobicContact CZ-CD1 3.66Å; F35-L39 HydrophobicContact CZ-CG 4.3Å; F35-L39 WeakPolarHBondContact O-CB 3.01Å; F35-L39 WeakPolarHBondContact O-CG 3.47Å; F35-L39 PolarHBondContact O-N 3.43Å; F35-A49 HydrophobicContact CD1-CB 4.2Å; F35-A49 HydrophobicContact CE1-CB 4.42Å; F35-F52 HydrophobicContact CE1-CB 3.45Å; F35-F52 VanDerWaalsContact CE1-CB 3.45Å; F35-F52 HydrophobicContact CE1-CG 4.35Å; F35-F52 HydrophobicContact CZ-CB 3.62Å; F35-F52 HydrophobicContact CZ-CG 4.2Å
36K86.2Confident86.2Confident57 Ų5772.3 Ų72.325%0.24838%0.379CS..Hα-helixtrans-66.7-44.8174.3173-178.3169173.10111.4M32 K33 E34 L39 I40 E46 A49M32-K36 WeakPolarHBondContact O-CB 3.35Å; M32-K36 PolarHBondContact O-N 2.93Å; K33-K36 WeakPolarHBondContact O-CB 3.38Å; K33-K36 PolarHBondContact O-N 2.65Å; E34-K36 VanDerWaalsContact C-N 3.27Å; E34-K36 PolarHBondContact O-N 2.78Å; K36-L39 PolarHBondContact O-N 3.01Å; K36-I40 HydrophobicContact CD-CD1 4.41Å; K36-I40 HydrophobicContact CG-CD1 3.66Å; K36-I40 HydrophobicContact CG-CG1 4.4Å; K36-I40 WeakPolarHBondContact O-CB 3.37Å; K36-I40 WeakPolarHBondContact O-CD1 3.43Å; K36-I40 WeakPolarHBondContact O-CG1 3.34Å; K36-I40 PolarHBondContact O-N 3.3Å; K36-E46 HydrophobicContact CD-CG 3.95Å; K36-E46 WeakPolarHBondContact CE-OE2 3.48Å; K36-E46 HydrophobicContact CG-CG 4.35Å; K36-E46 IonicContact NZ-OE1 2.91Å; K36-E46 PolarHBondContact NZ-OE1 2.9Å; K36-E46 IonicContact NZ-OE2 2.65Å; K36-E46 PolarHBondContact NZ-OE2 3.04Å; K36-A49 HydrophobicContact CB-CB 4.18Å
37E87.6Confident86.3Confident108 Ų10870.6 Ų70.651%0.50538%0.383SS..Hα-helixtrans-60.6-46.8178.3-74.8-174.594.400111K33 E34 I40 E41K33-E37 VanDerWaalsContact CE-OE2 3.25Å; K33-E37 WeakPolarHBondContact CE-OE2 3.33Å; K33-E37 WeakPolarHBondContact CG-OE2 3.18Å; K33-E37 WeakPolarHBondContact O-CB 3.09Å; K33-E37 WeakPolarHBondContact O-CG 3.09Å; K33-E37 PolarHBondContact O-N 2.82Å; E34-E37 PolarHBondContact O-N 2.85Å; E34-E37 VanDerWaalsContact O-N 3.16Å; E37-I40 PolarHBondContact O-N 2.84Å; E37-E41 WeakPolarHBondContact O-CB 3.42Å; E37-E41 PolarHBondContact O-N 3.21Å
38E85.4Confident86.1Confident18 Ų1867.1 Ų67.18%0.08436%0.364CS..Hα-helixtrans-60.9-46.9175.3-179.566.565.600111.4L22 K24 E34 I40 E41 Q42L22-E38 HydrophobicContact CD2-CB 4.47Å; L22-E38 HydrophobicContact CD2-CG 3.68Å; K24-E38 WeakPolarHBondContact CE-OE1 3.34Å; K24-E38 IonicContact NZ-OE1 2.71Å; K24-E38 PolarHBondContact NZ-OE1 2.71Å; E34-E38 WeakPolarHBondContact O-CB 3.47Å; E34-E38 PolarHBondContact O-N 2.97Å; E38-I40 VanDerWaalsContact C-N 3.33Å; E38-I40 PolarHBondContact O-N 3.46Å; E38-E41 WeakPolarHBondContact O-CB 3.39Å; E38-E41 PolarHBondContact O-N 2.83Å; E38-E41 VanDerWaalsContact O-N 3.15Å; E38-Q42 VanDerWaalsContact O-CG 3.3Å; E38-Q42 WeakPolarHBondContact O-CG 3.42Å; E38-Q42 PolarHBondContact O-N 3.02Å; E38-Q42 PolarHBondContact OE2-NE2 3.15Å
39L84.8Confident86Confident17 Ų1765.7 Ų65.79%0.08935%0.349CS..Hα-helixtrans-63.9-38.4178.9-79.9176.6000112.8F35 K36 E41 Q42 G43 F44 A49 F52F35-L39 HydrophobicContact CD1-CD1 3.71Å; F35-L39 HydrophobicContact CE1-CD1 3.2Å; F35-L39 HydrophobicContact CE1-CG 4.18Å; F35-L39 HydrophobicContact CE2-CD1 4.49Å; F35-L39 HydrophobicContact CZ-CD1 3.66Å; F35-L39 HydrophobicContact CZ-CG 4.3Å; F35-L39 WeakPolarHBondContact O-CB 3.01Å; F35-L39 WeakPolarHBondContact O-CG 3.47Å; F35-L39 PolarHBondContact O-N 3.43Å; K36-L39 PolarHBondContact O-N 3.01Å; L39-E41 VanDerWaalsContact C-N 3.34Å; L39-Q42 CarbonylContact O-C 3.15Å; L39-Q42 PolarHBondContact O-N 3.3Å; L39-G43 PolarHBondContact O-N 3.2Å; L39-G43 VanDerWaalsContact O-N 3.14Å; L39-F44 HydrophobicContact CB-CB 4.09Å; L39-F44 HydrophobicContact CD2-CB 4.05Å; L39-F44 HydrophobicContact CD2-CD2 3.54Å; L39-F44 HydrophobicContact CD2-CE2 4.22Å; L39-F44 HydrophobicContact CD2-CG 3.96Å; L39-F44 WeakPolarHBondContact O-CA 3.32Å; L39-F44 WeakPolarHBondContact O-CB 3.5Å; L39-F44 PolarHBondContact O-N 3.07Å; L39-A49 HydrophobicContact CB-CB 4.25Å; L39-A49 HydrophobicContact CD1-CB 3.35Å; L39-A49 HydrophobicContact CG-CB 4.43Å; L39-F52 HydrophobicContact CD1-CD2 4.38Å
40I86Confident85.9Confident87 Ų8766.4 Ų66.445%0.44636%0.356SS..Hα-helixtrans-64.9-41.2173.9-69167.3000110.4K36 E37 E38 Q42 G43K36-I40 HydrophobicContact CD-CD1 4.41Å; K36-I40 HydrophobicContact CG-CD1 3.66Å; K36-I40 HydrophobicContact CG-CG1 4.4Å; K36-I40 WeakPolarHBondContact O-CB 3.37Å; K36-I40 WeakPolarHBondContact O-CD1 3.43Å; K36-I40 WeakPolarHBondContact O-CG1 3.34Å; K36-I40 PolarHBondContact O-N 3.3Å; E37-I40 PolarHBondContact O-N 2.84Å; E38-I40 VanDerWaalsContact C-N 3.33Å; E38-I40 PolarHBondContact O-N 3.46Å; I40-Q42 VanDerWaalsContact C-N 3.3Å; I40-Q42 PolarHBondContact O-N 2.91Å; I40-G43 WeakPolarHBondContact O-CA 3.28Å; I40-G43 PolarHBondContact O-N 2.99Å
41E86Confident85.7Confident141 Ų14173.2 Ų73.266%0.65939%0.385SS*.Hα-helixtrans-62-37.9175.6-176.3157.58900111.7K24 E37 E38 L39 G43K24-E41 IonicContact NZ-OE1 2.96Å; E37-E41 WeakPolarHBondContact O-CB 3.42Å; E37-E41 PolarHBondContact O-N 3.21Å; E38-E41 WeakPolarHBondContact O-CB 3.39Å; E38-E41 PolarHBondContact O-N 2.83Å; E38-E41 VanDerWaalsContact O-N 3.15Å; L39-E41 VanDerWaalsContact C-N 3.34Å; E41-G43 PolarHBondContact O-N 3.46Å
42Q83.2Confident85.4Confident122 Ų12275 Ų7557%0.5739%0.389SS*.THydrogen-bonded Turntrans-74.5-4.3171.8-63.1-58-49.500113.7E38 L39 I40 F44E38-Q42 VanDerWaalsContact O-CG 3.3Å; E38-Q42 WeakPolarHBondContact O-CG 3.42Å; E38-Q42 PolarHBondContact O-N 3.02Å; E38-Q42 PolarHBondContact OE2-NE2 3.15Å; L39-Q42 CarbonylContact O-C 3.15Å; L39-Q42 PolarHBondContact O-N 3.3Å; I40-Q42 VanDerWaalsContact C-N 3.3Å; I40-Q42 PolarHBondContact O-N 2.91Å; Q42-F44 HydrophobicContact CB-CD2 3.63Å; Q42-F44 HydrophobicContact CB-CE2 3.77Å
43G86.6Confident85.2Confident67 Ų6771.3 Ų71.369%0.69137%0.371SS*.THydrogen-bonded Turntrans85.213.317900000115.3L39 I40 E41L39-G43 PolarHBondContact O-N 3.2Å; L39-G43 VanDerWaalsContact O-N 3.14Å; I40-G43 WeakPolarHBondContact O-CA 3.28Å; I40-G43 PolarHBondContact O-N 2.99Å; E41-G43 PolarHBondContact O-N 3.46Å
44F85.6Confident85Confident96 Ų9668.3 Ų68.342%0.42137%0.368SS..  trans-84.4145.9173.6-64.5-79.7000112L39 Q42 L48L39-F44 HydrophobicContact CB-CB 4.09Å; L39-F44 HydrophobicContact CD2-CB 4.05Å; L39-F44 HydrophobicContact CD2-CD2 3.54Å; L39-F44 HydrophobicContact CD2-CE2 4.22Å; L39-F44 HydrophobicContact CD2-CG 3.96Å; L39-F44 WeakPolarHBondContact O-CA 3.32Å; L39-F44 WeakPolarHBondContact O-CB 3.5Å; L39-F44 PolarHBondContact O-N 3.07Å; Q42-F44 HydrophobicContact CB-CD2 3.63Å; Q42-F44 HydrophobicContact CB-CE2 3.77Å; F44-L48 HydrophobicContact CB-CD2 4.03Å; F44-L48 HydrophobicContact CD1-CD2 3.33Å; F44-L48 HydrophobicContact CE1-CD2 4.03Å; F44-L48 HydrophobicContact CG-CD2 3.92Å
45P87.1Confident84.7Confident84 Ų8475.7 Ų75.755%0.54540%0.4SS..  trans-71.7148.1176.729-33.6000111.6C47 L48 A49P45-C47 PolarHBondContact O-N 3.07Å; P45-C47 VanDerWaalsContact O-N 3.13Å; P45-L48 HydrophobicContact CG-CB 4.15Å; P45-L48 VanDerWaalsContact O-CB 3.29Å; P45-L48 WeakPolarHBondContact O-CB 3.32Å; P45-L48 PolarHBondContact O-N 2.94Å; P45-A49 PolarHBondContact O-N 3.36Å
46E84.8Confident84.5Confident98 Ų9876.4 Ų76.446%0.45840%0.403SS..Hα-helixtrans-51.8-36.8176.9175.7176160.900113.8K36 L48 A49 A50K36-E46 HydrophobicContact CD-CG 3.95Å; K36-E46 WeakPolarHBondContact CE-OE2 3.48Å; K36-E46 HydrophobicContact CG-CG 4.35Å; K36-E46 IonicContact NZ-OE1 2.91Å; K36-E46 PolarHBondContact NZ-OE1 2.9Å; K36-E46 IonicContact NZ-OE2 2.65Å; K36-E46 PolarHBondContact NZ-OE2 3.04Å; E46-L48 PolarHBondContact O-N 3.3Å; E46-A49 WeakPolarHBondContact O-CB 3.24Å; E46-A49 PolarHBondContact O-N 3.27Å; E46-A49 VanDerWaalsContact O-N 3.07Å; E46-A50 PolarHBondContact O-N 3.41Å; E46-A50 VanDerWaalsContact O-N 3.09Å
47C85.6Confident84.4Confident98 Ų9874.3 Ų74.366%0.66240%0.395SS*.Hα-helixtrans-60.6-29.3176.8-69.60000113P45 K51P45-C47 PolarHBondContact O-N 3.07Å; P45-C47 VanDerWaalsContact O-N 3.13Å; C47-K51 WeakPolarHBondContact O-CG 3.29Å; C47-K51 PolarHBondContact O-N 2.77Å
48L84.3Confident83.9Confident54 Ų5477.1 Ų77.128%0.28341%0.407SS..Hα-helixtrans-73.8-38.7176-163.373.2000110.6F44 P45 E46 A50 K51 F52F44-L48 HydrophobicContact CB-CD2 4.03Å; F44-L48 HydrophobicContact CD1-CD2 3.33Å; F44-L48 HydrophobicContact CE1-CD2 4.03Å; F44-L48 HydrophobicContact CG-CD2 3.92Å; P45-L48 HydrophobicContact CG-CB 4.15Å; P45-L48 VanDerWaalsContact O-CB 3.29Å; P45-L48 WeakPolarHBondContact O-CB 3.32Å; P45-L48 PolarHBondContact O-N 2.94Å; E46-L48 PolarHBondContact O-N 3.3Å; L48-A50 PolarHBondContact O-N 2.74Å; L48-K51 WeakPolarHBondContact O-CB 3.18Å; L48-K51 PolarHBondContact O-N 2.95Å; L48-K51 VanDerWaalsContact O-N 3.17Å; L48-F52 HydrophobicContact CD1-CE2 4.15Å; L48-F52 HydrophobicContact CD2-CD2 4.3Å; L48-F52 HydrophobicContact CD2-CE2 3.71Å; L48-F52 HydrophobicContact CG-CD2 3.79Å; L48-F52 HydrophobicContact CG-CE2 3.58Å; L48-F52 VanDerWaalsContact O-CD2 3.32Å; L48-F52 WeakPolarHBondContact O-CD2 3.07Å; L48-F52 PolarHBondContact O-N 2.88Å
49A84Confident83.8Confident4 Ų480.5 Ų80.53%0.03343%0.426CS..Hα-helixtrans-57.4-48.6174.400000112F35 K36 L39 P45 E46 K51 F52 M53F35-A49 HydrophobicContact CD1-CB 4.2Å; F35-A49 HydrophobicContact CE1-CB 4.42Å; K36-A49 HydrophobicContact CB-CB 4.18Å; L39-A49 HydrophobicContact CB-CB 4.25Å; L39-A49 HydrophobicContact CD1-CB 3.35Å; L39-A49 HydrophobicContact CG-CB 4.43Å; P45-A49 PolarHBondContact O-N 3.36Å; E46-A49 WeakPolarHBondContact O-CB 3.24Å; E46-A49 PolarHBondContact O-N 3.27Å; E46-A49 VanDerWaalsContact O-N 3.07Å; A49-K51 VanDerWaalsContact C-N 3.29Å; A49-K51 PolarHBondContact O-N 3.35Å; A49-F52 PolarHBondContact O-N 3.06Å; A49-M53 WeakPolarHBondContact O-CB 3.11Å; A49-M53 PolarHBondContact O-N 3.39Å
50A84Confident83.5Confident35 Ų3587.3 Ų87.329%0.28946%0.455SS..Hα-helixtrans-61.7-35.917700000112.9M32 E46 L48 S54M32-A50 HydrophobicContact CE-CB 4.38Å; E46-A50 PolarHBondContact O-N 3.41Å; E46-A50 VanDerWaalsContact O-N 3.09Å; L48-A50 PolarHBondContact O-N 2.74Å; A50-S54 WeakPolarHBondContact O-CB 3.36Å; A50-S54 PolarHBondContact O-N 3.32Å; A50-S54 PolarHBondContact O-OG 3.43Å
51K84.4Confident83.5Confident145 Ų14585.9 Ų85.963%0.6345%0.448SS*.Hα-helixtrans-67.5-46.3176.5-78.2178.6-179.7-176.60112.1C47 L48 A49 S54 K55C47-K51 WeakPolarHBondContact O-CG 3.29Å; C47-K51 PolarHBondContact O-N 2.77Å; L48-K51 WeakPolarHBondContact O-CB 3.18Å; L48-K51 PolarHBondContact O-N 2.95Å; L48-K51 VanDerWaalsContact O-N 3.17Å; A49-K51 VanDerWaalsContact C-N 3.29Å; A49-K51 PolarHBondContact O-N 3.35Å; K51-S54 PolarHBondContact O-N 3.04Å; K51-K55 WeakPolarHBondContact O-CG 3.47Å; K51-K55 PolarHBondContact O-N 3.21Å
52F82.2Confident83.4Confident87 Ų8780.7 Ų80.738%0.38243%0.432SS..Hα-helixtrans-64-44.6175.9-85.4-64.2000110.9F35 L39 L48 A49 S54 K55 F56F35-F52 HydrophobicContact CE1-CB 3.45Å; F35-F52 VanDerWaalsContact CE1-CB 3.45Å; F35-F52 HydrophobicContact CE1-CG 4.35Å; F35-F52 HydrophobicContact CZ-CB 3.62Å; F35-F52 HydrophobicContact CZ-CG 4.2Å; L39-F52 HydrophobicContact CD1-CD2 4.38Å; L48-F52 HydrophobicContact CD1-CE2 4.15Å; L48-F52 HydrophobicContact CD2-CD2 4.3Å; L48-F52 HydrophobicContact CD2-CE2 3.71Å; L48-F52 HydrophobicContact CG-CD2 3.79Å; L48-F52 HydrophobicContact CG-CE2 3.58Å; L48-F52 VanDerWaalsContact O-CD2 3.32Å; L48-F52 WeakPolarHBondContact O-CD2 3.07Å; L48-F52 PolarHBondContact O-N 2.88Å; A49-F52 PolarHBondContact O-N 3.06Å; F52-S54 VanDerWaalsContact C-N 3.32Å; F52-S54 PolarHBondContact O-N 3.49Å; F52-K55 WeakPolarHBondContact O-CA 3.35Å; F52-K55 WeakPolarHBondContact O-CB 3.31Å; F52-K55 PolarHBondContact O-N 2.91Å; F52-F56 AromaticContact CD1-CE2 3.94Å; F52-F56 HydrophobicContact CD1-CE2 3.94Å; F52-F56 VanDerWaalsContact O-CD2 3.24Å; F52-F56 WeakPolarHBondContact O-CD2 3.45Å; F52-F56 PolarHBondContact O-N 3.34Å
53M82.3Confident83.6Confident7 Ų780.5 Ų80.53%0.03443%0.426CS..Hα-helixtrans-53.4-51.5174.2-164.773.2-177.700110.6M32 A49 K55 F56 D57 G62 R63 I64M32-M53 HydrophobicContact CB-CE 4.12Å; M32-M53 HydrophobicContact CB-CG 4.48Å; M32-M53 HydrophobicContact CB-SD 4.34Å; M32-M53 HydrophobicContact CG-CG 4.46Å; A49-M53 WeakPolarHBondContact O-CB 3.11Å; A49-M53 PolarHBondContact O-N 3.39Å; M53-K55 PolarHBondContact O-N 2.79Å; M53-F56 PolarHBondContact O-N 2.95Å; M53-F56 VanDerWaalsContact O-N 3.07Å; M53-D57 HydrophobicContact CE-CB 4.08Å; M53-D57 HydrophobicContact CG-CB 4.12Å; M53-D57 WeakPolarHBondContact O-CA 3.23Å; M53-D57 WeakPolarHBondContact O-CB 3.16Å; M53-D57 PolarHBondContact O-N 3.45Å; M53-G62 WeakPolarHBondContact CE-O 3.21Å; M53-R63 VanDerWaalsContact CE-CA 3.48Å; M53-R63 VanDerWaalsContact CE-N 3.34Å; M53-I64 HydrophobicContact CE-CD1 4.2Å; M53-I64 HydrophobicContact CE-CG1 3.75Å; M53-I64 HydrophobicContact SD-CD1 3.41Å; M53-I64 WeakPolarHBondContact SD-CD1 3.49Å; M53-I64 HydrophobicContact SD-CG1 3.65Å
54S82.5Confident83.7Confident81 Ų8177.5 Ų77.557%0.56639%0.394SS*.Hα-helixtrans-60.6-15.4178.5-58.60000114.8A50 K51 F52A50-S54 WeakPolarHBondContact O-CB 3.36Å; A50-S54 PolarHBondContact O-N 3.32Å; A50-S54 PolarHBondContact O-OG 3.43Å; K51-S54 PolarHBondContact O-N 3.04Å; F52-S54 VanDerWaalsContact C-N 3.32Å; F52-S54 PolarHBondContact O-N 3.49Å
55K81.5Confident83.9Confident169 Ų16974.6 Ų74.674%0.73539%0.385SS*.Hα-helixtrans-91.9-35.4176.6-70.5-70.5-175-1790112.6K51 F52 M53K51-K55 WeakPolarHBondContact O-CG 3.47Å; K51-K55 PolarHBondContact O-N 3.21Å; F52-K55 WeakPolarHBondContact O-CA 3.35Å; F52-K55 WeakPolarHBondContact O-CB 3.31Å; F52-K55 PolarHBondContact O-N 2.91Å; M53-K55 PolarHBondContact O-N 2.79Å
56F80.8Confident83.8Confident29 Ų2972.7 Ų72.713%0.12737%0.37CS..Hα-helixtrans-92.5-38.5-178.4-72.9-74.7000112.9F52 M53 H58 I64 F69 T72 L73F52-F56 AromaticContact CD1-CE2 3.94Å; F52-F56 HydrophobicContact CD1-CE2 3.94Å; F52-F56 VanDerWaalsContact O-CD2 3.24Å; F52-F56 WeakPolarHBondContact O-CD2 3.45Å; F52-F56 PolarHBondContact O-N 3.34Å; M53-F56 PolarHBondContact O-N 2.95Å; M53-F56 VanDerWaalsContact O-N 3.07Å; F56-H58 PolarHBondContact O-N 2.78Å; F56-I64 HydrophobicContact CB-CD1 3.5Å; F56-I64 VanDerWaalsContact CB-CD1 3.5Å; F56-I64 HydrophobicContact CB-CG1 3.82Å; F56-I64 HydrophobicContact CB-CG2 4.15Å; F56-I64 HydrophobicContact CD2-CD1 4.48Å; F56-I64 HydrophobicContact CG-CD1 4.26Å; F56-F69 AromaticContact CD1-CD2 3.67Å; F56-F69 HydrophobicContact CD1-CD2 3.67Å; F56-F69 AromaticContact CD1-CE2 3.97Å; F56-F69 HydrophobicContact CD1-CE2 3.97Å; F56-F69 AromaticContact CE1-CD2 3.72Å; F56-F69 HydrophobicContact CE1-CD2 3.72Å; F56-F69 AromaticContact CE1-CE2 3.58Å; F56-F69 HydrophobicContact CE1-CE2 3.58Å; F56-F69 HydrophobicContact CE2-CE2 4.49Å; F56-F69 HydrophobicContact CG-CD2 4.34Å; F56-F69 HydrophobicContact CZ-CD2 4.43Å; F56-F69 AromaticContact CZ-CE2 3.89Å; F56-F69 HydrophobicContact CZ-CE2 3.89Å; F56-T72 HydrophobicContact CD1-CG2 3.65Å; F56-T72 HydrophobicContact CE1-CG2 3.98Å; F56-L73 HydrophobicContact CE1-CD1 4.08Å; F56-L73 HydrophobicContact CE1-CD2 4.16Å; F56-L73 HydrophobicContact CE1-CG 3.96Å
57D84.2Confident83.8Confident14 Ų1472.1 Ų72.18%0.07537%0.369CS..  trans-76.587.2177.7-1774.8000109.4M53 K60 D61 G62 I64M53-D57 HydrophobicContact CE-CB 4.08Å; M53-D57 HydrophobicContact CG-CB 4.12Å; M53-D57 WeakPolarHBondContact O-CA 3.23Å; M53-D57 WeakPolarHBondContact O-CB 3.16Å; M53-D57 PolarHBondContact O-N 3.45Å; D57-K60 WeakPolarHBondContact OD1-CA 3.37Å; D57-K60 PolarHBondContact OD1-N 3.47Å; D57-K60 WeakPolarHBondContact OD2-CA 3.34Å; D57-D61 PolarHBondContact OD1-N 2.78Å; D57-G62 WeakPolarHBondContact OD2-CA 3.28Å; D57-G62 PolarHBondContact OD2-N 2.63Å; D57-I64 HydrophobicContact CB-CG1 4.32Å
58H77.6Confident83.7Confident167 Ų16768.1 Ų68.177%0.77334%0.341SS*.SBendtrans-80-35.8-177.4-170.671.5000111.1F56 K60 E68F56-H58 PolarHBondContact O-N 2.78Å; H58-K60 VanDerWaalsContact C-N 3.34Å; H58-E68 PolarHBondContact N-OE1 2.76Å
59D82.2Confident83.7Confident89 Ų8966.5 Ų66.548%0.47633%0.332SS..SBendtrans-83.6-10.1179.971.5-123.9000114.1D61D59-D61 VanDerWaalsContact C-N 3.26Å; D59-D61 PolarHBondContact O-N 3.02Å; D59-D61 WeakPolarHBondContact OD2-CB 3.18Å; D59-D61 PolarHBondContact OD2-N 2.77Å
60K78.3Confident83.7Confident159 Ų15967.3 Ų67.369%0.69134%0.336SS*.  trans61.730.5176.3-59.2-179.3177.6-65.60113D57 H58D57-K60 WeakPolarHBondContact OD1-CA 3.37Å; D57-K60 PolarHBondContact OD1-N 3.47Å; D57-K60 WeakPolarHBondContact OD2-CA 3.34Å; H58-K60 VanDerWaalsContact C-N 3.34Å
61D86.5Confident83.5Confident58 Ų5870.1 Ų70.131%0.3134%0.341SS..SBendtrans-80.2-6.9172.675.4-5.6000113.2D57 D59 R63D57-D61 PolarHBondContact OD1-N 2.78Å; D59-D61 VanDerWaalsContact C-N 3.26Å; D59-D61 PolarHBondContact O-N 3.02Å; D59-D61 WeakPolarHBondContact OD2-CB 3.18Å; D59-D61 PolarHBondContact OD2-N 2.77Å; D61-R63 WeakPolarHBondContact OD1-CG 3.34Å; D61-R63 PolarHBondContact OD1-N 3.42Å; D61-R63 WeakPolarHBondContact OD2-CD 3.36Å; D61-R63 WeakPolarHBondContact OD2-CG 3.02Å; D61-R63 IonicContact OD2-CZ 2.66Å; D61-R63 IonicContact OD2-NE 3.93Å; D61-R63 PolarHBondContact OD2-NE 2.93Å; D61-R63 IonicContact OD2-NH2 2.65Å; D61-R63 PolarHBondContact OD2-NH2 3.24Å
62G84.6Confident83.3Confident31 Ų3164.5 Ų64.532%0.3232%0.319SS..SBendtrans83.214.9178.400000114.2M32 M53 D57M32-G62 PolarHBondContact N-O 2.82Å; M53-G62 WeakPolarHBondContact CE-O 3.21Å; D57-G62 WeakPolarHBondContact OD2-CA 3.28Å; D57-G62 PolarHBondContact OD2-N 2.63Å
63R87.3Confident83.2Confident118 Ų11862.8 Ų62.845%0.44531%0.314SS..EExtended strand (participates in β ladder)trans-137.5143.2170.950.4179.6177-101.2-21.3109.2V30 T31 M53 D61V30-R63 CarbonylContact O-C 3.56Å; V30-R63 WeakPolarHBondContact O-CA 3.27Å; T31-R63 HydrophobicContact CG2-CB 4.3Å; M53-R63 VanDerWaalsContact CE-CA 3.48Å; M53-R63 VanDerWaalsContact CE-N 3.34Å; D61-R63 WeakPolarHBondContact OD1-CG 3.34Å; D61-R63 PolarHBondContact OD1-N 3.42Å; D61-R63 WeakPolarHBondContact OD2-CD 3.36Å; D61-R63 WeakPolarHBondContact OD2-CG 3.02Å; D61-R63 IonicContact OD2-CZ 2.66Å; D61-R63 IonicContact OD2-NE 3.93Å; D61-R63 PolarHBondContact OD2-NE 2.93Å; D61-R63 IonicContact OD2-NH2 2.65Å; D61-R63 PolarHBondContact OD2-NH2 3.24Å
64I87.9Confident82.9Confident4 Ų464.3 Ų64.32%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-99.4113.9175.2-61.5160.3000106.4F19 V30 M53 F56 D57 F69F19-I64 HydrophobicContact CE2-CG2 4.38Å; F19-I64 WeakPolarHBondContact CE2-O 3.3Å; F19-I64 VanDerWaalsContact CZ-O 3.29Å; F19-I64 WeakPolarHBondContact CZ-O 3.25Å; V30-I64 PolarHBondContact N-O 3.43Å; V30-I64 PolarHBondContact O-N 3.36Å; M53-I64 HydrophobicContact CE-CD1 4.2Å; M53-I64 HydrophobicContact CE-CG1 3.75Å; M53-I64 HydrophobicContact SD-CD1 3.41Å; M53-I64 WeakPolarHBondContact SD-CD1 3.49Å; M53-I64 HydrophobicContact SD-CG1 3.65Å; F56-I64 HydrophobicContact CB-CD1 3.5Å; F56-I64 VanDerWaalsContact CB-CD1 3.5Å; F56-I64 HydrophobicContact CB-CG1 3.82Å; F56-I64 HydrophobicContact CB-CG2 4.15Å; F56-I64 HydrophobicContact CD2-CD1 4.48Å; F56-I64 HydrophobicContact CG-CD1 4.26Å; D57-I64 HydrophobicContact CB-CG1 4.32Å; I64-F69 HydrophobicContact CG2-CB 3.9Å; I64-F69 HydrophobicContact CG2-CD2 4.22Å
65T89Confident82.4Confident36 Ų3668.4 Ų68.422%0.22133%0.326CS..EExtended strand (participates in β ladder)trans-78.6156.5172.660.40000111.1D67 E68 F69T65-D67 PolarHBondContact O-N 3.11Å; T65-E68 PolarHBondContact N-OE2 3.09Å; T65-E68 PolarHBondContact O-N 3.2Å; T65-E68 VanDerWaalsContact O-N 3.15Å; T65-E68 VanDerWaalsContact OG1-CG 3.31Å; T65-E68 WeakPolarHBondContact OG1-CG 3.43Å; T65-E68 PolarHBondContact OG1-N 2.78Å; T65-E68 PolarHBondContact OG1-OE2 2.81Å; T65-F69 PolarHBondContact O-N 3.18Å
66L85.2Confident81.7Confident44 Ų4463.8 Ų63.823%0.2331%0.312CS..Hα-helixtrans-54.6-37.7174.6177.964.1000111.8K16 F19 F69 I70K16-L66 HydrophobicContact CB-CD1 4.05Å; K16-L66 HydrophobicContact CD-CD2 4.33Å; K16-L66 HydrophobicContact CG-CD1 4.11Å; K16-L66 HydrophobicContact CG-CD2 3.98Å; F19-L66 HydrophobicContact CB-CD1 3.79Å; F19-L66 HydrophobicContact CD1-CB 4.23Å; F19-L66 HydrophobicContact CD1-CD1 4.08Å; F19-L66 HydrophobicContact CD2-CD1 4.28Å; F19-L66 HydrophobicContact CE1-CB 4.11Å; F19-L66 HydrophobicContact CE2-CB 4.41Å; F19-L66 HydrophobicContact CG-CB 4.43Å; F19-L66 HydrophobicContact CG-CD1 3.78Å; F19-L66 HydrophobicContact CZ-CB 4.17Å; L66-F69 PolarHBondContact O-N 3.39Å; L66-I70 HydrophobicContact CD1-CD1 3.85Å; L66-I70 HydrophobicContact CD1-CG1 4.18Å; L66-I70 HydrophobicContact CD2-CD1 4.39Å; L66-I70 HydrophobicContact CG-CD1 3.72Å; L66-I70 HydrophobicContact CG-CG1 4.44Å; L66-I70 WeakPolarHBondContact O-CB 2.87Å; L66-I70 WeakPolarHBondContact O-CD1 2.98Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 3.33Å
67D85.1Confident80.7Confident85 Ų8568 Ų6846%0.45534%0.335SS..Hα-helixtrans-64.2-48.1177179.2-109000111.6T65 F69 I70 K71T65-D67 PolarHBondContact O-N 3.11Å; D67-F69 VanDerWaalsContact C-N 3.34Å; D67-F69 PolarHBondContact O-N 3.36Å; D67-I70 PolarHBondContact O-N 3.33Å; D67-K71 VanDerWaalsContact O-CB 3.28Å; D67-K71 WeakPolarHBondContact O-CB 3.18Å; D67-K71 WeakPolarHBondContact O-CG 3.31Å; D67-K71 PolarHBondContact O-N 3.07Å; D67-K71 WeakPolarHBondContact OD1-CD 3.35Å; D67-K71 WeakPolarHBondContact OD1-CE 3.22Å; D67-K71 IonicContact OD1-NZ 2.63Å; D67-K71 PolarHBondContact OD1-NZ 2.77Å; D67-K71 WeakPolarHBondContact OD2-CE 3.2Å; D67-K71 IonicContact OD2-NZ 3.67Å
68E84.3Confident79.4Confident14 Ų1474.3 Ų74.37%0.06537%0.369CS..Hα-helixtrans-63.1-39.3175.8-73.8175.292.800112.8H58 T65 K71 T72H58-E68 PolarHBondContact N-OE1 2.76Å; T65-E68 PolarHBondContact N-OE2 3.09Å; T65-E68 PolarHBondContact O-N 3.2Å; T65-E68 VanDerWaalsContact O-N 3.15Å; T65-E68 VanDerWaalsContact OG1-CG 3.31Å; T65-E68 WeakPolarHBondContact OG1-CG 3.43Å; T65-E68 PolarHBondContact OG1-N 2.78Å; T65-E68 PolarHBondContact OG1-OE2 2.81Å; E68-K71 PolarHBondContact O-N 3.32Å; E68-T72 WeakPolarHBondContact O-CB 3.36Å; E68-T72 PolarHBondContact O-N 3.48Å; E68-T72 PolarHBondContact O-OG1 2.67Å
69F83.5Confident78.1Confident20 Ų2070.2 Ų70.29%0.08836%0.359CS..Hα-helixtrans-62.2-46.8176.9-169.7-107.6000111.1L15 R18 F19 F56 I64 T65 L66 D67 L73L15-F69 HydrophobicContact CB-CD1 4.03Å; L15-F69 HydrophobicContact CB-CE1 4.01Å; L15-F69 HydrophobicContact CD2-CE1 3.95Å; L15-F69 HydrophobicContact CG-CE1 4.48Å; R18-F69 HydrophobicContact CB-CE1 4.45Å; F19-F69 HydrophobicContact CB-CD1 4.4Å; F19-F69 HydrophobicContact CD2-CB 4.01Å; F19-F69 HydrophobicContact CD2-CD1 4.29Å; F19-F69 HydrophobicContact CD2-CG 4.11Å; F19-F69 HydrophobicContact CE2-CB 4.37Å; F56-F69 AromaticContact CD1-CD2 3.67Å; F56-F69 HydrophobicContact CD1-CD2 3.67Å; F56-F69 AromaticContact CD1-CE2 3.97Å; F56-F69 HydrophobicContact CD1-CE2 3.97Å; F56-F69 AromaticContact CE1-CD2 3.72Å; F56-F69 HydrophobicContact CE1-CD2 3.72Å; F56-F69 AromaticContact CE1-CE2 3.58Å; F56-F69 HydrophobicContact CE1-CE2 3.58Å; F56-F69 HydrophobicContact CE2-CE2 4.49Å; F56-F69 HydrophobicContact CG-CD2 4.34Å; F56-F69 HydrophobicContact CZ-CD2 4.43Å; F56-F69 AromaticContact CZ-CE2 3.89Å; F56-F69 HydrophobicContact CZ-CE2 3.89Å; I64-F69 HydrophobicContact CG2-CB 3.9Å; I64-F69 HydrophobicContact CG2-CD2 4.22Å; T65-F69 PolarHBondContact O-N 3.18Å; L66-F69 PolarHBondContact O-N 3.39Å; D67-F69 VanDerWaalsContact C-N 3.34Å; D67-F69 PolarHBondContact O-N 3.36Å; F69-L73 HydrophobicContact CD1-CD1 3.93Å; F69-L73 HydrophobicContact CD2-CD1 4.27Å; F69-L73 HydrophobicContact CE1-CD1 3.49Å; F69-L73 VanDerWaalsContact CE1-CD1 3.49Å; F69-L73 HydrophobicContact CE2-CD1 3.86Å; F69-L73 HydrophobicContact CG-CD1 4.3Å; F69-L73 HydrophobicContact CZ-CD1 3.45Å; F69-L73 VanDerWaalsContact CZ-CD1 3.45Å; F69-L73 PolarHBondContact O-N 2.64Å
70I83.4Confident76.8Confident22 Ų2269.3 Ų69.311%0.11337%0.365CS..Hα-helixtrans-62-50.5175.5-71.8165.8000110.6I12 L15 L66 D67 T72 L73 L74I12-I70 HydrophobicContact CB-CD1 4.47Å; I12-I70 HydrophobicContact CD1-CG2 4.49Å; I12-I70 HydrophobicContact CG1-CD1 4.36Å; I12-I70 HydrophobicContact CG1-CG2 3.77Å; I12-I70 HydrophobicContact CG2-CD1 3.75Å; L15-I70 HydrophobicContact CB-CG1 4.17Å; L15-I70 HydrophobicContact CD1-CB 4.37Å; L15-I70 HydrophobicContact CD1-CG1 4.15Å; L66-I70 HydrophobicContact CD1-CD1 3.85Å; L66-I70 HydrophobicContact CD1-CG1 4.18Å; L66-I70 HydrophobicContact CD2-CD1 4.39Å; L66-I70 HydrophobicContact CG-CD1 3.72Å; L66-I70 HydrophobicContact CG-CG1 4.44Å; L66-I70 WeakPolarHBondContact O-CB 2.87Å; L66-I70 WeakPolarHBondContact O-CD1 2.98Å; L66-I70 WeakPolarHBondContact O-CG1 3.35Å; L66-I70 PolarHBondContact O-N 3.33Å; D67-I70 PolarHBondContact O-N 3.33Å; I70-T72 PolarHBondContact O-N 3.44Å; I70-L73 PolarHBondContact O-N 2.9Å; I70-L74 HydrophobicContact CG2-CD1 3.38Å; I70-L74 HydrophobicContact CG2-CG 3.89Å; I70-L74 WeakPolarHBondContact O-CB 3.48Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.41Å
71K81.6Confident75.4Confident94 Ų9472.1 Ų72.141%0.40938%0.377SS..Hα-helixtrans-59.1-49.4179.8-75.7-177.4174.2159.60110.3D67 E68 L73 L74 Y75D67-K71 VanDerWaalsContact O-CB 3.28Å; D67-K71 WeakPolarHBondContact O-CB 3.18Å; D67-K71 WeakPolarHBondContact O-CG 3.31Å; D67-K71 PolarHBondContact O-N 3.07Å; D67-K71 WeakPolarHBondContact OD1-CD 3.35Å; D67-K71 WeakPolarHBondContact OD1-CE 3.22Å; D67-K71 IonicContact OD1-NZ 2.63Å; D67-K71 PolarHBondContact OD1-NZ 2.77Å; D67-K71 WeakPolarHBondContact OD2-CE 3.2Å; D67-K71 IonicContact OD2-NZ 3.67Å; E68-K71 PolarHBondContact O-N 3.32Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 PolarHBondContact O-N 3.02Å; K71-L74 PolarHBondContact O-N 3.06Å; K71-Y75 HydrophobicContact CB-CD2 3.74Å; K71-Y75 HydrophobicContact CB-CE2 3.79Å; K71-Y75 HydrophobicContact CD-CE2 4.32Å; K71-Y75 HydrophobicContact CG-CD2 4.23Å; K71-Y75 HydrophobicContact CG-CE2 3.72Å; K71-Y75 WeakPolarHBondContact O-CB 3.21Å; K71-Y75 WeakPolarHBondContact O-CD2 3.38Å; K71-Y75 PolarHBondContact O-N 3.43Å
72T80.1Confident73.9Confident27 Ų2774.5 Ų74.517%0.16640%0.399CS..Hα-helixtrans-55.8-50.2178.9-61.70000110F56 E68 I70 T76F56-T72 HydrophobicContact CD1-CG2 3.65Å; F56-T72 HydrophobicContact CE1-CG2 3.98Å; E68-T72 WeakPolarHBondContact O-CB 3.36Å; E68-T72 PolarHBondContact O-N 3.48Å; E68-T72 PolarHBondContact O-OG1 2.67Å; I70-T72 PolarHBondContact O-N 3.44Å; T72-T76 WeakPolarHBondContact O-CA 3.17Å; T72-T76 WeakPolarHBondContact O-CB 3.49Å; T72-T76 PolarHBondContact O-N 3.44Å; T72-T76 PolarHBondContact O-OG1 3.1Å
73L78.4Confident72.1Confident51 Ų5177.3 Ų77.327%0.26741%0.413SS..Hα-helixtrans-74.7-36.8-177.2-71.8164.1000113.4L15 F56 F69 I70 K71 D77L15-L73 HydrophobicContact CD1-CB 3.61Å; L15-L73 HydrophobicContact CD1-CD1 4.01Å; L15-L73 HydrophobicContact CD1-CG 4.42Å; L15-L73 HydrophobicContact CD2-CB 4.11Å; L15-L73 HydrophobicContact CD2-CD1 3.23Å; L15-L73 HydrophobicContact CD2-CG 4.22Å; L15-L73 HydrophobicContact CG-CB 4.5Å; L15-L73 HydrophobicContact CG-CD1 4.17Å; F56-L73 HydrophobicContact CE1-CD1 4.08Å; F56-L73 HydrophobicContact CE1-CD2 4.16Å; F56-L73 HydrophobicContact CE1-CG 3.96Å; F69-L73 HydrophobicContact CD1-CD1 3.93Å; F69-L73 HydrophobicContact CD2-CD1 4.27Å; F69-L73 HydrophobicContact CE1-CD1 3.49Å; F69-L73 VanDerWaalsContact CE1-CD1 3.49Å; F69-L73 HydrophobicContact CE2-CD1 3.86Å; F69-L73 HydrophobicContact CG-CD1 4.3Å; F69-L73 HydrophobicContact CZ-CD1 3.45Å; F69-L73 VanDerWaalsContact CZ-CD1 3.45Å; F69-L73 PolarHBondContact O-N 2.64Å; I70-L73 PolarHBondContact O-N 2.9Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 PolarHBondContact O-N 3.02Å; L73-D77 WeakPolarHBondContact O-CB 3.32Å; L73-D77 PolarHBondContact O-N 3.23Å
74L76.8Confident69.9Low39 Ų3980.6 Ų80.620%0.20443%0.431CS..Hα-helixtrans-68.7-39.9176.7-71.4-176.5000112.4K11 I12 I70 K71K11-L74 HydrophobicContact CB-CD2 3.77Å; K11-L74 HydrophobicContact CD-CD2 3.74Å; K11-L74 HydrophobicContact CG-CD2 4.4Å; I12-L74 HydrophobicContact CD1-CD1 4.39Å; I12-L74 HydrophobicContact CG1-CD1 4.1Å; I70-L74 HydrophobicContact CG2-CD1 3.38Å; I70-L74 HydrophobicContact CG2-CG 3.89Å; I70-L74 WeakPolarHBondContact O-CB 3.48Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.41Å; K71-L74 PolarHBondContact O-N 3.06Å
75Y71.8Confident67.6Low167 Ų16786.5 Ų86.566%0.65547%0.467SS*.Hα-helixtrans-84.7-28.2179.1-63.1-61.7000112.5K71K71-Y75 HydrophobicContact CB-CD2 3.74Å; K71-Y75 HydrophobicContact CB-CE2 3.79Å; K71-Y75 HydrophobicContact CD-CE2 4.32Å; K71-Y75 HydrophobicContact CG-CD2 4.23Å; K71-Y75 HydrophobicContact CG-CE2 3.72Å; K71-Y75 WeakPolarHBondContact O-CB 3.21Å; K71-Y75 WeakPolarHBondContact O-CD2 3.38Å; K71-Y75 PolarHBondContact O-N 3.43Å
76T68Low65.2Low71 Ų7196.4 Ų96.444%0.43651%0.51SS..Hα-helixtrans-75.3-31.8175.2-63.90000112.1T72 D78 S79T72-T76 WeakPolarHBondContact O-CA 3.17Å; T72-T76 WeakPolarHBondContact O-CB 3.49Å; T72-T76 PolarHBondContact O-N 3.44Å; T72-T76 PolarHBondContact O-OG1 3.1Å; T76-D78 PolarHBondContact O-N 3.11Å; T76-S79 CarbonylContact O-C 3.54Å; T76-S79 PolarHBondContact O-N 3.4Å
77D59.9Low64.2Low117 Ų11799 Ų9963%0.62652%0.524SS*.THydrogen-bonded Turntrans-62.1-29.9179.2-136.1-127.8000112.1K11 L73 S79K11-D77 IonicContact NZ-OD1 2.67Å; K11-D77 PolarHBondContact NZ-OD1 3.24Å; L73-D77 WeakPolarHBondContact O-CB 3.32Å; L73-D77 PolarHBondContact O-N 3.23Å; D77-S79 VanDerWaalsContact C-N 3.35Å
78D55.6Low63.1Low147 Ų14799.7 Ų99.779%0.78653%0.528SS*.THydrogen-bonded Turntrans-80.4-18.4177.6-157.3-111.2000112.4T76T76-D78 PolarHBondContact O-N 3.11Å
79S50.2Low61.9Low81 Ų81104.5 Ų104.557%0.56655%0.554SS**SBendtrans-140.399.9-176.3-67.70000111.6T76 D77T76-S79 CarbonylContact O-C 3.54Å; T76-S79 PolarHBondContact O-N 3.4Å; D77-S79 VanDerWaalsContact C-N 3.35Å
80A55.3Low60.7Low71 Ų71109.5 Ų109.559%0.58758%0.581SS**SBendtrans96.138.8153.200000120.9
81F49.6Very low59.3Low217 Ų217114.9 Ų114.995%0.95261%0.61SS**SBendtrans-79.8-1.4131-134.5-90.8000112.1
82S54.4Low57.8Low109 Ų109116.3 Ų116.376%0.76262%0.624SS**  trans-100.549.6171.5-173.10000112.9
83S45.9Very low56.2Low89 Ų89122.7 Ų122.762%0.62266%0.657SS**  trans-144.163.8157.6-72.20000109.1V85S83-V85 PolarHBondContact O-N 3.41Å
84K42.1Very low54.5Low187 Ų187128.2 Ų128.281%0.81369%0.687SS**  trans-6091.8141.4-175.977.6169.7177.30106
85V39.4Very low52.6Low128 Ų128135.7 Ų135.778%0.77673%0.727SS**  trans-122.194.5159.8-29.60000105.7S83S83-V85 PolarHBondContact O-N 3.41Å
86E39.2Very low50.9Low244 Ų244132.8 Ų132.8100%1.1473%0.733SS**  trans-113.40150.4-176.3141.87000104.8

Retrieved 86 of 86 residues in 21 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).