A0A077Z5S7_TRITR Loading...

6-phosphogluconolactonase

Hydrolysis of 6-phosphogluconolactone to 6-phosphogluconate.

AlphaFold DB , UniProt , Accession A0A077Z5S7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.6Very low71Confident164 Ų16483.9 Ų83.981%0.80842%0.42SS*.  0114.50-172.3173.8-177.500109.3I3 E225M1-I3 HydrophobicContact CG-CG1 4.34Å; M1-E225 VanDerWaalsContact N-CD 3.32Å; M1-E225 VanDerWaalsContact N-CG 3.35Å; M1-E225 PolarHBondContact N-OE1 2.78Å
2S56.6Low72.2Confident19 Ų1977.5 Ų77.513%0.13339%0.387CS..  trans-75.4143.7165.6-55.90000108.3W216 Y226S2-W216 WeakPolarHBondContact O-CH2 3.43Å; S2-Y226 WeakPolarHBondContact CA-O 3.23Å; S2-Y226 WeakPolarHBondContact CB-O 3.41Å
3I63.4Low73.8Confident76 Ų7672.5 Ų72.539%0.3936%0.363SS..EExtended strand (participates in β ladder)trans-122.5126.9178.6-58174.3000109.2M1 V5 W216 Y226 F228M1-I3 HydrophobicContact CG-CG1 4.34Å; I3-V5 HydrophobicContact CG2-CG2 3.82Å; I3-W216 VanDerWaalsContact C-CH2 3.48Å; I3-W216 VanDerWaalsContact N-CH2 3.34Å; I3-Y226 PolarHBondContact N-O 3.18Å; I3-F228 PolarHBondContact O-N 3.09Å; I3-F228 VanDerWaalsContact O-O 3.09Å
4I64.3Low75.1Confident61 Ų6170.4 Ų70.431%0.31336%0.356SS..EExtended strand (participates in β ladder)trans-93.9121.1164-54.5-174.4000107.5E6 W216 F228I4-E6 HydrophobicContact CG2-CG 3.7Å; I4-W216 HydrophobicContact CB-CH2 4.43Å; I4-W216 HydrophobicContact CB-CZ3 4.41Å; I4-W216 HydrophobicContact CD1-CB 4.48Å; I4-W216 HydrophobicContact CD1-CD2 3.65Å; I4-W216 HydrophobicContact CD1-CE3 3.83Å; I4-W216 HydrophobicContact CD1-CG 3.93Å; I4-W216 HydrophobicContact CD1-CH2 4.32Å; I4-W216 HydrophobicContact CD1-CZ2 4.29Å; I4-W216 HydrophobicContact CD1-CZ3 4.16Å; I4-W216 HydrophobicContact CG1-CD2 3.73Å; I4-W216 HydrophobicContact CG1-CE3 3.44Å; I4-W216 VanDerWaalsContact CG1-CE3 3.44Å; I4-W216 HydrophobicContact CG1-CH2 3.44Å; I4-W216 VanDerWaalsContact CG1-CH2 3.44Å; I4-W216 HydrophobicContact CG1-CZ2 3.85Å; I4-W216 HydrophobicContact CG1-CZ3 3.27Å; I4-F228 CarbonylContact C-O 3.56Å; I4-F228 VanDerWaalsContact CA-O 3.24Å; I4-F228 WeakPolarHBondContact CA-O 3.44Å; I4-F228 HydrophobicContact CG1-CB 4.47Å
5V67.4Low76.2Confident40 Ų4070.3 Ų70.324%0.24235%0.354CS..EExtended strand (participates in β ladder)trans-108.1120.7166.8-169.80000108.2I3 Q15 F228 L229 K230I3-V5 HydrophobicContact CG2-CG2 3.82Å; V5-Q15 HydrophobicContact CG1-CG 4.07Å; V5-F228 PolarHBondContact N-O 2.99Å; V5-L229 HydrophobicContact CB-CD2 3.42Å; V5-L229 VanDerWaalsContact CB-CD2 3.42Å; V5-L229 HydrophobicContact CG1-CD2 4.34Å; V5-L229 HydrophobicContact CG2-CD2 3.49Å; V5-L229 VanDerWaalsContact CG2-CD2 3.49Å; V5-K230 PolarHBondContact O-N 2.86Å
6E69.4Low77.2Confident116 Ų11665.9 Ų65.954%0.54233%0.332SS..EExtended strand (participates in β ladder)trans-106.1141.3177.6-52.9-170.316000109.2I4 K230 F232I4-E6 HydrophobicContact CG2-CG 3.7Å; E6-K230 WeakPolarHBondContact CA-O 3.29Å; E6-F232 HydrophobicContact CB-CE2 4.36Å; E6-F232 HydrophobicContact CG-CE2 3.92Å; E6-F232 VanDerWaalsContact OE1-CE2 3.29Å; E6-F232 WeakPolarHBondContact OE1-CE2 3.48Å
7G72Confident78.2Confident19 Ų1962.1 Ų62.120%0.19631%0.312CS..  trans178.7177.217700000114.3K230 I231G7-K230 PolarHBondContact N-O 3.45Å; G7-I231 WeakPolarHBondContact O-CG1 3.37Å
8H82.2Confident79Confident98 Ų9864.1 Ų64.145%0.45432%0.319SS..  trans-74.5166.4167.9-64-74.2000111.1D10 Q11 M12H8-D10 VanDerWaalsContact C-N 3.3Å; H8-D10 PolarHBondContact O-N 2.94Å; H8-Q11 WeakPolarHBondContact O-CB 3.4Å; H8-Q11 PolarHBondContact O-N 3.41Å; H8-Q11 VanDerWaalsContact O-N 3.09Å; H8-M12 PolarHBondContact O-N 3.23Å
9R84.3Confident79.7Confident99 Ų9961.9 Ų61.937%0.37431%0.309SS..Hα-helixtrans-48.8-48.5-179.5-172.4-178.4178.9106.1-2.2112.6Q11 M12 V13 D47 L48 D51 I231R9-Q11 PolarHBondContact O-N 2.91Å; R9-M12 WeakPolarHBondContact O-CA 3.4Å; R9-M12 WeakPolarHBondContact O-CB 3.28Å; R9-M12 PolarHBondContact O-N 3.19Å; R9-M12 VanDerWaalsContact O-N 3.09Å; R9-V13 WeakPolarHBondContact O-CG2 3.43Å; R9-V13 PolarHBondContact O-N 3.42Å; R9-D47 VanDerWaalsContact NH2-C 3.28Å; R9-D47 PolarHBondContact NH2-O 3.11Å; R9-L48 HydrophobicContact CG-CD1 4.2Å; R9-D51 IonicContact CZ-OD2 3.65Å; R9-D51 VanDerWaalsContact CZ-OD2 3.3Å; R9-D51 IonicContact NE-OD2 3.69Å; R9-D51 PolarHBondContact NE-OD2 3.21Å; R9-D51 IonicContact NH2-OD2 3.54Å; R9-D51 PolarHBondContact NH2-OD2 3.22Å; R9-I231 HydrophobicContact CB-CD1 4.32Å
10D87.6Confident80.3Confident126 Ų12658.9 Ų58.967%0.67429%0.293SS*.Hα-helixtrans-63.1-40.1-178.4-60.2-17.6000112.9H8 M12 V13 V14H8-D10 VanDerWaalsContact C-N 3.3Å; H8-D10 PolarHBondContact O-N 2.94Å; D10-M12 VanDerWaalsContact C-N 3.32Å; D10-M12 PolarHBondContact O-N 3.4Å; D10-V13 PolarHBondContact O-N 3.01Å; D10-V14 WeakPolarHBondContact O-CG2 3.13Å; D10-V14 PolarHBondContact O-N 3.47Å; D10-V14 VanDerWaalsContact O-N 3.13Å
11Q88.1Confident80.9Confident105 Ų10558.9 Ų58.949%0.49129%0.292SS..Hα-helixtrans-64.9-41.1175-66.6171.6-32.500110.5H8 R9 V13 V14 Q15H8-Q11 WeakPolarHBondContact O-CB 3.4Å; H8-Q11 PolarHBondContact O-N 3.41Å; H8-Q11 VanDerWaalsContact O-N 3.09Å; R9-Q11 PolarHBondContact O-N 2.91Å; Q11-V13 PolarHBondContact O-N 3.38Å; Q11-V14 PolarHBondContact O-N 3.14Å; Q11-Q15 WeakPolarHBondContact O-CG 3.3Å; Q11-Q15 PolarHBondContact O-N 3.3Å
12M86Confident83Confident7 Ų755.3 Ų55.33%0.03427%0.274CS..Hα-helixtrans-59.9-44.5175.1-116.6-148.2178.200112.1H8 R9 D10 V14 Q15 L16 L48 V202 T204 L229 I231H8-M12 PolarHBondContact O-N 3.23Å; R9-M12 WeakPolarHBondContact O-CA 3.4Å; R9-M12 WeakPolarHBondContact O-CB 3.28Å; R9-M12 PolarHBondContact O-N 3.19Å; R9-M12 VanDerWaalsContact O-N 3.09Å; D10-M12 VanDerWaalsContact C-N 3.32Å; D10-M12 PolarHBondContact O-N 3.4Å; M12-V14 VanDerWaalsContact C-N 3.34Å; M12-V14 PolarHBondContact O-N 3.09Å; M12-Q15 PolarHBondContact O-N 3.03Å; M12-L16 WeakPolarHBondContact O-CB 3.43Å; M12-L16 PolarHBondContact O-N 3.43Å; M12-L16 HydrophobicContact SD-CD1 4.42Å; M12-L48 HydrophobicContact SD-CD2 3.76Å; M12-V202 HydrophobicContact CE-CG1 3.85Å; M12-V202 HydrophobicContact SD-CG1 4.23Å; M12-T204 HydrophobicContact SD-CG2 4.37Å; M12-L229 HydrophobicContact CE-CB 3.63Å; M12-L229 VanDerWaalsContact CE-O 3.3Å; M12-L229 WeakPolarHBondContact CE-O 3.49Å; M12-I231 HydrophobicContact CB-CD1 3.96Å; M12-I231 HydrophobicContact CB-CG1 4.2Å; M12-I231 HydrophobicContact CE-CB 4.49Å; M12-I231 HydrophobicContact CE-CD1 4.14Å; M12-I231 HydrophobicContact CE-CG1 3.75Å; M12-I231 HydrophobicContact CG-CD1 3.79Å; M12-I231 HydrophobicContact CG-CG1 3.63Å; M12-I231 HydrophobicContact SD-CD1 3.14Å; M12-I231 WeakPolarHBondContact SD-CD1 3.47Å; M12-I231 HydrophobicContact SD-CG1 3.32Å; M12-I231 WeakPolarHBondContact SD-CG1 3.3Å
13V91.9Very high84.4Confident12 Ų1256.6 Ų56.67%0.07328%0.278CS..Hα-helixtrans-56.3-49.4176.7167.20000110.5R9 D10 Q11 Q15 A17 L48 D51 V52 H55R9-V13 WeakPolarHBondContact O-CG2 3.43Å; R9-V13 PolarHBondContact O-N 3.42Å; D10-V13 PolarHBondContact O-N 3.01Å; Q11-V13 PolarHBondContact O-N 3.38Å; V13-Q15 PolarHBondContact O-N 3.42Å; V13-A17 VanDerWaalsContact O-CB 3.28Å; V13-A17 WeakPolarHBondContact O-CB 3.32Å; V13-A17 PolarHBondContact O-N 2.91Å; V13-L48 HydrophobicContact CG2-CD1 3.7Å; V13-D51 HydrophobicContact CG1-CB 4.28Å; V13-D51 HydrophobicContact CG2-CB 3.69Å; V13-V52 HydrophobicContact CB-CG2 4.3Å; V13-V52 HydrophobicContact CG1-CG2 4.23Å; V13-V52 HydrophobicContact CG2-CG2 4.25Å; V13-H55 HydrophobicContact CG1-CB 4.19Å
14V93.1Very high85.4Confident44 Ų4454 Ų5427%0.26726%0.264SS..Hα-helixtrans-62.1-43.4178.9175.60000111.6D10 Q11 M12 A17 K18D10-V14 WeakPolarHBondContact O-CG2 3.13Å; D10-V14 PolarHBondContact O-N 3.47Å; D10-V14 VanDerWaalsContact O-N 3.13Å; Q11-V14 PolarHBondContact O-N 3.14Å; M12-V14 VanDerWaalsContact C-N 3.34Å; M12-V14 PolarHBondContact O-N 3.09Å; V14-A17 PolarHBondContact O-N 3.24Å; V14-K18 HydrophobicContact CG1-CD 4.25Å; V14-K18 WeakPolarHBondContact O-CG 3.19Å; V14-K18 PolarHBondContact O-N 3.49Å
15Q91Very high85.8Confident69 Ų6959.7 Ų59.732%0.32228%0.281SS..Hα-helixtrans-70-43.9-177.6-66.5-66.1-1200112V5 Q11 M12 V13 A17 K18 L19V5-Q15 HydrophobicContact CG1-CG 4.07Å; Q11-Q15 WeakPolarHBondContact O-CG 3.3Å; Q11-Q15 PolarHBondContact O-N 3.3Å; M12-Q15 PolarHBondContact O-N 3.03Å; V13-Q15 PolarHBondContact O-N 3.42Å; Q15-A17 VanDerWaalsContact C-N 3.34Å; Q15-A17 PolarHBondContact O-N 3.19Å; Q15-K18 PolarHBondContact O-N 2.86Å; Q15-L19 WeakPolarHBondContact O-CB 3.15Å; Q15-L19 VanDerWaalsContact O-CG 3.3Å; Q15-L19 WeakPolarHBondContact O-CG 3.24Å; Q15-L19 PolarHBondContact O-N 3.3Å
16L92.5Very high85.5Confident0 Ų063.5 Ų63.50%030%0.304CS..Hα-helixtrans-60-45173.5-81.9160000111.3M12 K18 L19 I20 L48 M49 V52 L146 I200 V202 L229M12-L16 WeakPolarHBondContact O-CB 3.43Å; M12-L16 PolarHBondContact O-N 3.43Å; M12-L16 HydrophobicContact SD-CD1 4.42Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 2.84Å; L16-L19 PolarHBondContact O-N 3.03Å; L16-I20 WeakPolarHBondContact O-CB 3.29Å; L16-I20 WeakPolarHBondContact O-CG1 3.19Å; L16-I20 PolarHBondContact O-N 3.22Å; L16-L48 HydrophobicContact CD1-CD2 3.47Å; L16-L48 VanDerWaalsContact CD1-CD2 3.47Å; L16-L48 HydrophobicContact CD1-CG 4Å; L16-M49 HydrophobicContact CD1-CE 3.8Å; L16-M49 HydrophobicContact CD2-CE 4.39Å; L16-V52 HydrophobicContact CB-CG1 4.14Å; L16-V52 HydrophobicContact CB-CG2 3.73Å; L16-V52 HydrophobicContact CD1-CG2 4.13Å; L16-L146 HydrophobicContact CD2-CD2 4.12Å; L16-I200 HydrophobicContact CD2-CG2 4.22Å; L16-V202 HydrophobicContact CD2-CG2 3.99Å; L16-L229 HydrophobicContact CD1-CD1 4.3Å; L16-L229 HydrophobicContact CD2-CD1 3.37Å; L16-L229 HydrophobicContact CG-CD1 3.51Å
17A94.4Very high84.9Confident0 Ų063.4 Ų63.40%030%0.304CS..Hα-helixtrans-58.8-43.6176.400000111.9V13 V14 Q15 K21 V52 H55 T57 L58V13-A17 VanDerWaalsContact O-CB 3.28Å; V13-A17 WeakPolarHBondContact O-CB 3.32Å; V13-A17 PolarHBondContact O-N 2.91Å; V14-A17 PolarHBondContact O-N 3.24Å; Q15-A17 VanDerWaalsContact C-N 3.34Å; Q15-A17 PolarHBondContact O-N 3.19Å; A17-K21 VanDerWaalsContact O-CB 3.24Å; A17-K21 WeakPolarHBondContact O-CB 3.11Å; A17-K21 PolarHBondContact O-N 3.25Å; A17-V52 HydrophobicContact CB-CG1 4.26Å; A17-H55 HydrophobicContact CB-CB 4.06Å; A17-T57 HydrophobicContact CB-CG2 4.33Å; A17-L58 HydrophobicContact CB-CD1 4.35Å; A17-L58 HydrophobicContact CB-CG 4.03Å; A17-L58 WeakPolarHBondContact O-CD2 3.4Å
18K93Very high84Confident98 Ų9869.8 Ų69.843%0.42634%0.339SS..Hα-helixtrans-64.2-47.3175.8-73.2173.9-179.8179.30112.3V14 Q15 L16 K21 M22 T57V14-K18 HydrophobicContact CG1-CD 4.25Å; V14-K18 WeakPolarHBondContact O-CG 3.19Å; V14-K18 PolarHBondContact O-N 3.49Å; Q15-K18 PolarHBondContact O-N 2.86Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 2.84Å; K18-K21 PolarHBondContact O-N 2.88Å; K18-M22 VanDerWaalsContact O-CG 3.32Å; K18-M22 WeakPolarHBondContact O-CG 3.28Å; K18-M22 PolarHBondContact O-N 3.19Å; K18-T57 HydrophobicContact CG-CG2 4.29Å
19L90.7Very high82.7Confident24 Ų2468.8 Ų68.813%0.12636%0.355CS..Hα-helixtrans-64.5-42.1-178.4-73.2170.5000112.1Q15 L16 M22 Q23 I200 I227 L229Q15-L19 WeakPolarHBondContact O-CB 3.15Å; Q15-L19 VanDerWaalsContact O-CG 3.3Å; Q15-L19 WeakPolarHBondContact O-CG 3.24Å; Q15-L19 PolarHBondContact O-N 3.3Å; L16-L19 PolarHBondContact O-N 3.03Å; L19-M22 PolarHBondContact O-N 3.07Å; L19-Q23 WeakPolarHBondContact O-CG 3.5Å; L19-Q23 PolarHBondContact O-NE2 2.89Å; L19-I200 HydrophobicContact CB-CD1 3.78Å; L19-I200 HydrophobicContact CD1-CD1 4.07Å; L19-I200 HydrophobicContact CG-CD1 4.48Å; L19-I227 HydrophobicContact CD1-CG2 4.05Å; L19-I227 HydrophobicContact CD2-CD1 3.77Å; L19-L229 HydrophobicContact CD1-CD1 3.93Å; L19-L229 HydrophobicContact CD1-CD2 4.02Å; L19-L229 HydrophobicContact CD1-CG 4.43Å
20I92.5Very high81.2Confident0 Ų067 Ų670%036%0.357CS..Hα-helixtrans-60.8-52172.7-68.8167.4000108.9L16 M22 Q23 F24 V52 F53 L58 L61 L146L16-I20 WeakPolarHBondContact O-CB 3.29Å; L16-I20 WeakPolarHBondContact O-CG1 3.19Å; L16-I20 PolarHBondContact O-N 3.22Å; I20-M22 PolarHBondContact O-N 3.32Å; I20-Q23 WeakPolarHBondContact O-CB 3.35Å; I20-Q23 WeakPolarHBondContact O-CG 3.41Å; I20-Q23 PolarHBondContact O-N 3.14Å; I20-F24 HydrophobicContact CG2-CD2 4.39Å; I20-F24 HydrophobicContact CG2-CE2 3.74Å; I20-F24 WeakPolarHBondContact O-CD2 3.44Å; I20-V52 HydrophobicContact CD1-CG1 3.71Å; I20-F53 HydrophobicContact CD1-CZ 4.34Å; I20-L58 HydrophobicContact CB-CD1 4.4Å; I20-L58 HydrophobicContact CB-CD2 4.34Å; I20-L58 HydrophobicContact CD1-CD1 4.34Å; I20-L58 HydrophobicContact CG2-CD1 4.1Å; I20-L58 HydrophobicContact CG2-CD2 4.1Å; I20-L61 HydrophobicContact CG2-CD1 4.12Å; I20-L146 HydrophobicContact CD1-CD1 3.84Å; I20-L146 HydrophobicContact CG1-CD1 4.29Å; I20-L146 HydrophobicContact CG1-CD2 4.42Å
21K92.3Very high79.3Confident60 Ų6067.1 Ų67.126%0.26137%0.365SS..Hα-helixtrans-55.3-37.7-179.1-175.859.2176.1177.30113.2A17 K18 Q23 F24 T57 L58 D60 L61A17-K21 VanDerWaalsContact O-CB 3.24Å; A17-K21 WeakPolarHBondContact O-CB 3.11Å; A17-K21 PolarHBondContact O-N 3.25Å; K18-K21 PolarHBondContact O-N 2.88Å; K21-Q23 PolarHBondContact O-N 3.15Å; K21-F24 PolarHBondContact O-N 3.2Å; K21-F24 VanDerWaalsContact O-N 3.08Å; K21-T57 HydrophobicContact CB-CG2 3.92Å; K21-T57 HydrophobicContact CG-CG2 4.15Å; K21-L58 HydrophobicContact CB-CD2 3.85Å; K21-L58 HydrophobicContact CD-CD2 4.48Å; K21-D60 IonicContact NZ-OD1 3Å; K21-D60 PolarHBondContact NZ-OD1 3.23Å; K21-D60 IonicContact NZ-OD2 3.89Å; K21-D60 PolarHBondContact NZ-OD2 3.25Å; K21-L61 HydrophobicContact CD-CD2 4.33Å
22M89.3Confident77.7Confident89 Ų8968.5 Ų68.544%0.43837%0.374SS..Hα-helixtrans-60.4-26.4177.5-74.3173.162.100113.3K18 L19 I20 F24 R25K18-M22 VanDerWaalsContact O-CG 3.32Å; K18-M22 WeakPolarHBondContact O-CG 3.28Å; K18-M22 PolarHBondContact O-N 3.19Å; L19-M22 PolarHBondContact O-N 3.07Å; I20-M22 PolarHBondContact O-N 3.32Å; M22-F24 VanDerWaalsContact C-N 3.25Å; M22-F24 PolarHBondContact O-N 3.04Å; M22-R25 WeakPolarHBondContact O-CG 3.22Å
23Q86.1Confident76.5Confident45 Ų4574.7 Ų74.721%0.2141%0.407CS..THydrogen-bonded Turntrans-76-13.3178.5-46.7-49.6-49.300113.4L19 I20 K21 H36 V144L19-Q23 WeakPolarHBondContact O-CG 3.5Å; L19-Q23 PolarHBondContact O-NE2 2.89Å; I20-Q23 WeakPolarHBondContact O-CB 3.35Å; I20-Q23 WeakPolarHBondContact O-CG 3.41Å; I20-Q23 PolarHBondContact O-N 3.14Å; K21-Q23 PolarHBondContact O-N 3.15Å; Q23-H36 PolarHBondContact O-CE1 2.91Å; Q23-H36 PolarHBondContact O-ND1 3.43Å; Q23-V144 HydrophobicContact CB-CG1 4.47Å; Q23-V144 HydrophobicContact CG-CB 3.94Å; Q23-V144 HydrophobicContact CG-CG1 3.9Å
24F84.8Confident75.8Confident23 Ų2377.4 Ų77.410%0.10142%0.418CS..THydrogen-bonded Turntrans-100.714.2-178.8-67.1-99.4000113.1I20 K21 M22 V26 H36 V38 L61 L69I20-F24 HydrophobicContact CG2-CD2 4.39Å; I20-F24 HydrophobicContact CG2-CE2 3.74Å; I20-F24 WeakPolarHBondContact O-CD2 3.44Å; K21-F24 PolarHBondContact O-N 3.2Å; K21-F24 VanDerWaalsContact O-N 3.08Å; M22-F24 VanDerWaalsContact C-N 3.25Å; M22-F24 PolarHBondContact O-N 3.04Å; F24-V26 PolarHBondContact O-N 2.87Å; F24-H36 HydrophobicContact CD1-CB 3.86Å; F24-H36 AromaticContact CD1-CD2 3.52Å; F24-H36 AromaticContact CD1-CG 3.51Å; F24-H36 HydrophobicContact CE1-CB 3.44Å; F24-H36 VanDerWaalsContact CE1-CB 3.44Å; F24-H36 AromaticContact CE1-CD2 3.97Å; F24-H36 AromaticContact CE1-CG 3.68Å; F24-H36 HydrophobicContact CZ-CB 3.98Å; F24-V38 HydrophobicContact CE2-CG2 4.25Å; F24-V38 HydrophobicContact CZ-CG2 3.9Å; F24-L61 HydrophobicContact CB-CD2 4.05Å; F24-L61 HydrophobicContact CD1-CD2 3.7Å; F24-L61 HydrophobicContact CD2-CD1 4.46Å; F24-L61 HydrophobicContact CD2-CD2 3.67Å; F24-L61 HydrophobicContact CE1-CD2 3.97Å; F24-L61 HydrophobicContact CE2-CD1 4.02Å; F24-L61 HydrophobicContact CE2-CD2 3.98Å; F24-L61 HydrophobicContact CG-CD2 3.53Å; F24-L61 HydrophobicContact CZ-CD1 4.09Å; F24-L61 HydrophobicContact CZ-CD2 4.1Å; F24-L69 HydrophobicContact CE1-CB 4.38Å; F24-L69 HydrophobicContact CE1-CD1 3.77Å; F24-L69 HydrophobicContact CE1-CD2 4.01Å; F24-L69 HydrophobicContact CE1-CG 4.27Å; F24-L69 HydrophobicContact CZ-CD1 3.61Å; F24-L69 HydrophobicContact CZ-CD2 4.03Å; F24-L69 HydrophobicContact CZ-CG 4.4Å
25R73.3Confident75.7Confident180 Ų18078.5 Ų78.568%0.67942%0.417SS*.  trans-67.1132.5173.3-69.4178.9179.1-177.60.9109.4M22 E27M22-R25 WeakPolarHBondContact O-CG 3.22Å; R25-E27 PolarHBondContact O-N 3.28Å
26V61Low75.8Confident119 Ų11976.6 Ų76.672%0.72141%0.408SS*.  trans-71.3122174.2-178.40000108F24 V28F24-V26 PolarHBondContact O-N 2.87Å; V26-V28 PolarHBondContact O-N 3.37Å
27E57Low76Confident114 Ų11476.7 Ų76.753%0.53341%0.409SS..  trans-68.8114.6166.9-75.7171.3-162.400107.8R25 G29 C30 K197R25-E27 PolarHBondContact O-N 3.28Å; E27-G29 PolarHBondContact O-N 3.46Å; E27-C30 HydrophobicContact CB-CB 4.34Å; E27-C30 PolarHBondContact O-N 2.65Å; E27-K197 IonicContact OE1-NZ 2.97Å
28V52.8Low76.1Confident153 Ų15376.7 Ų76.793%0.92741%0.409SS*.THydrogen-bonded Turntrans-58123.9175.6-179.90000108.3V26V26-V28 PolarHBondContact O-N 3.37Å
29G54.2Low76.4Confident78 Ų7872 Ų7280%0.80439%0.388SS*.THydrogen-bonded Turntrans93.55.317800000116.2E27 P31E27-G29 PolarHBondContact O-N 3.46Å; G29-P31 VanDerWaalsContact O-CD 3.3Å; G29-P31 WeakPolarHBondContact O-CD 3.18Å
30C52.8Low76.7Confident62 Ų6270.9 Ų70.942%0.41938%0.382SS..  trans-93.7107.9169.8-1640000110.5E27 I32E27-C30 HydrophobicContact CB-CB 4.34Å; E27-C30 PolarHBondContact O-N 2.65Å; C30-I32 VanDerWaalsContact C-N 3.29Å; C30-I32 PolarHBondContact O-N 2.91Å
31P48.3Very low77Confident128 Ų12871 Ų7183%0.83138%0.383SS*.  trans-75.9-14.2-175.828.6-34000113.9G29G29-P31 VanDerWaalsContact O-CD 3.3Å; G29-P31 WeakPolarHBondContact O-CD 3.18Å
32I55.5Low77.1Confident133 Ų13368.6 Ų68.668%0.68238%0.375SS*.SBendtrans-86.2122179.6-57.9174.2000108.1C30 K34C30-I32 VanDerWaalsContact C-N 3.29Å; C30-I32 PolarHBondContact O-N 2.91Å; I32-K34 PolarHBondContact O-N 2.85Å
33L59.1Low77.2Confident138 Ų13866.9 Ų66.972%0.72338%0.38SS*.  trans-57.8101.2167.2-80.3166.8000108.7R35L33-R35 PolarHBondContact O-N 2.81Å
34K77.4Confident77.4Confident69 Ų6966.2 Ų66.230%0.338%0.381SS..PPolyproline II helixtrans-77.9118.4179.9-170.7169-173.3155.30109.4I32 H36I32-K34 PolarHBondContact O-N 2.85Å; K34-H36 PolarHBondContact O-N 2.89Å
35R91.2Very high77.8Confident66 Ų6665.2 Ų65.225%0.24938%0.376CS..PPolyproline II helixtrans-68124.1168.1-172.3-176.6-73.1158.4-7.7109L33 I37 P66 D67 M70 V130L33-R35 PolarHBondContact O-N 2.81Å; R35-I37 HydrophobicContact CG-CD1 4.1Å; R35-P66 VanDerWaalsContact CD-O 3.29Å; R35-P66 WeakPolarHBondContact CD-O 3.45Å; R35-P66 PolarHBondContact NE-O 2.85Å; R35-D67 WeakPolarHBondContact CB-O 3.32Å; R35-D67 IonicContact CZ-OD1 3.17Å; R35-D67 IonicContact NH2-OD1 2.72Å; R35-D67 PolarHBondContact NH2-OD1 3.14Å; R35-M70 HydrophobicContact CG-CB 4.46Å; R35-V130 WeakPolarHBondContact CD-O 3.41Å; R35-V130 PolarHBondContact NH1-O 3.32Å
36H93.8Very high78.9Confident30 Ų3056.7 Ų56.714%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-82.5135.1175-67.2-87.3000110.2Q23 F24 K34 R68 L69 M70Q23-H36 PolarHBondContact O-CE1 2.91Å; Q23-H36 PolarHBondContact O-ND1 3.43Å; F24-H36 HydrophobicContact CD1-CB 3.86Å; F24-H36 AromaticContact CD1-CD2 3.52Å; F24-H36 AromaticContact CD1-CG 3.51Å; F24-H36 HydrophobicContact CE1-CB 3.44Å; F24-H36 VanDerWaalsContact CE1-CB 3.44Å; F24-H36 AromaticContact CE1-CD2 3.97Å; F24-H36 AromaticContact CE1-CG 3.68Å; F24-H36 HydrophobicContact CZ-CB 3.98Å; K34-H36 PolarHBondContact O-N 2.89Å; H36-R68 PolarHBondContact N-O 2.75Å; H36-L69 HydrophobicContact CB-CD1 4.33Å; H36-L69 WeakPolarHBondContact O-CA 3.38Å; H36-M70 PolarHBondContact O-N 3.12Å
37I96.3Very high80.4Confident2 Ų253.9 Ų53.91%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-114.2119.8-179.1-49.4-61.2000108.7R35 M70 I72 V131 I142 S143 V144R35-I37 HydrophobicContact CG-CD1 4.1Å; I37-M70 WeakPolarHBondContact CA-O 3.43Å; I37-M70 HydrophobicContact CD1-CB 3.81Å; I37-I72 HydrophobicContact CG2-CD1 3.88Å; I37-I72 HydrophobicContact CG2-CG1 4.16Å; I37-I72 HydrophobicContact CG2-CG2 3.9Å; I37-V131 HydrophobicContact CD1-CG1 3.96Å; I37-V131 HydrophobicContact CG1-CB 4.48Å; I37-V131 HydrophobicContact CG1-CG1 3.9Å; I37-V131 HydrophobicContact CG2-CG1 4.27Å; I37-I142 HydrophobicContact CG2-CG1 4.15Å; I37-I142 HydrophobicContact CG2-CG2 4.36Å; I37-S143 PolarHBondContact N-OG 3.17Å; I37-S143 VanDerWaalsContact O-CB 3.3Å; I37-S143 WeakPolarHBondContact O-CB 3.42Å; I37-S143 PolarHBondContact O-N 2.79Å; I37-V144 PolarHBondContact O-N 2.69Å
38V97.4Very high82.2Confident0 Ų048.5 Ų48.50%030%0.3CS..EExtended strand (participates in β ladder)trans-117.6115.9-178.4177.40000109.4F24 L40 L69 M70 F71 I72 V144 L146F24-V38 HydrophobicContact CE2-CG2 4.25Å; F24-V38 HydrophobicContact CZ-CG2 3.9Å; V38-L40 HydrophobicContact CG1-CD2 4.23Å; V38-L69 HydrophobicContact CB-CD1 4.43Å; V38-L69 HydrophobicContact CG2-CD1 3.79Å; V38-M70 PolarHBondContact N-O 2.78Å; V38-F71 HydrophobicContact CB-CD1 3.72Å; V38-F71 HydrophobicContact CB-CE1 3.9Å; V38-F71 HydrophobicContact CG1-CD1 3.86Å; V38-F71 HydrophobicContact CG1-CE1 3.89Å; V38-F71 HydrophobicContact CG2-CE1 4.39Å; V38-F71 CarbonylContact O-C 3.59Å; V38-F71 VanDerWaalsContact O-CA 3.29Å; V38-F71 WeakPolarHBondContact O-CA 3.45Å; V38-I72 PolarHBondContact O-N 3.47Å; V38-V144 WeakPolarHBondContact CA-O 3.47Å; V38-V144 HydrophobicContact CB-CG1 4.45Å; V38-V144 HydrophobicContact CG1-CG1 4.15Å; V38-V144 HydrophobicContact CG2-CG1 4.01Å; V38-L146 HydrophobicContact CG1-CD1 4.31Å
39G98.2Very high84.2Confident0 Ų041.2 Ų41.20%026%0.256CS..EExtended strand (participates in β ladder)trans-85.7134175.400000112.5I72 V144 L146G39-I72 CarbonylContact C-O 3.59Å; G39-I72 WeakPolarHBondContact CA-O 3.3Å; G39-V144 PolarHBondContact N-O 2.95Å; G39-L146 WeakPolarHBondContact O-CB 3.24Å; G39-L146 PolarHBondContact O-N 2.82Å
40L98.5Very high86.2Confident0 Ų038 Ų380%022%0.222CC..EExtended strand (participates in β ladder)trans-119.5127.6-178-61.7176000110.1V38 M49 F71 I72 F73 C74 Y91 F107 L146V38-L40 HydrophobicContact CG1-CD2 4.23Å; L40-M49 HydrophobicContact CD2-CG 4.37Å; L40-F71 HydrophobicContact CD1-CB 3.94Å; L40-F71 HydrophobicContact CD1-CD1 3.72Å; L40-F71 HydrophobicContact CD1-CG 4.04Å; L40-F71 HydrophobicContact CD2-CD1 4.41Å; L40-F71 HydrophobicContact CG-CD1 4.12Å; L40-I72 PolarHBondContact N-O 3.25Å; L40-F73 HydrophobicContact CB-CD1 4.16Å; L40-F73 HydrophobicContact CB-CE1 4.23Å; L40-F73 HydrophobicContact CD1-CE1 4.32Å; L40-F73 WeakPolarHBondContact O-CA 3.15Å; L40-C74 PolarHBondContact N-SG 2.72Å; L40-C74 PolarHBondContact O-N 2.77Å; L40-Y91 HydrophobicContact CB-CE1 4.41Å; L40-Y91 HydrophobicContact CB-CE2 3.93Å; L40-Y91 HydrophobicContact CD1-CD1 4.15Å; L40-Y91 HydrophobicContact CD1-CE1 3.82Å; L40-Y91 HydrophobicContact CD1-CE2 4.49Å; L40-Y91 HydrophobicContact CD2-CE1 4.27Å; L40-Y91 HydrophobicContact CG-CE1 4.4Å; L40-F107 HydrophobicContact CD1-CE1 3.99Å; L40-L146 HydrophobicContact CD2-CD1 3.96Å
41S97.5Very high88.2Confident3 Ų338 Ų382%0.02122%0.217CC..  trans-95.8159.8170.7-48.80000111.3L45 Y91 L146 L147 G148S41-L45 WeakPolarHBondContact O-CB 3.19Å; S41-Y91 WeakPolarHBondContact O-CE2 3.07Å; S41-Y91 PolarHBondContact O-OH 2.64Å; S41-L146 PolarHBondContact N-O 2.88Å; S41-L146 PolarHBondContact OG-O 3.15Å; S41-L147 WeakPolarHBondContact OG-CA 3.42Å; S41-G148 PolarHBondContact OG-N 3.49Å
42G95.4Very high90.5Very high9 Ų931.9 Ų31.99%0.09318%0.178CC..  trans-77.3-151.1172.900000114.2
43G91Very high92.4Very high52 Ų5225.7 Ų25.754%0.53615%0.146SC..THydrogen-bonded Turntrans77.6-129.9-178.700000111.9L45 P46G43-L45 VanDerWaalsContact C-N 3.35Å; G43-P46 VanDerWaalsContact O-CD 3.27Å; G43-P46 WeakPolarHBondContact O-CD 3.19Å
44S89.9Confident94.1Very high32 Ų3225.1 Ų25.122%0.22414%0.14CC..THydrogen-bonded Turntrans-83.9-7.5178.955.10000114L48 T204S44-L48 PolarHBondContact O-N 3.01Å; S44-T204 WeakPolarHBondContact CB-OG1 3.43Å; S44-T204 PolarHBondContact OG-OG1 3.41Å
45L93.2Very high95Very high1 Ų123.7 Ų23.71%0.00513%0.134CC..Hα-helixtrans-65.6-38-178.4-89.467.6000114.4S41 G43 D47 L48 M49 L146 V202S41-L45 WeakPolarHBondContact O-CB 3.19Å; G43-L45 VanDerWaalsContact C-N 3.35Å; L45-D47 VanDerWaalsContact C-N 3.29Å; L45-D47 PolarHBondContact O-N 3.35Å; L45-L48 PolarHBondContact O-N 2.91Å; L45-L48 VanDerWaalsContact O-N 3.16Å; L45-M49 VanDerWaalsContact O-CB 3.29Å; L45-M49 WeakPolarHBondContact O-CB 3.12Å; L45-M49 WeakPolarHBondContact O-CG 3.12Å; L45-M49 PolarHBondContact O-N 2.91Å; L45-L146 HydrophobicContact CD2-CB 4.19Å; L45-L146 WeakPolarHBondContact CD2-O 3.32Å; L45-V202 HydrophobicContact CD1-CB 4.02Å; L45-V202 HydrophobicContact CD1-CG1 4.05Å; L45-V202 HydrophobicContact CD2-CB 4.37Å; L45-V202 HydrophobicContact CG-CB 4.31Å; L45-V202 HydrophobicContact CG-CG1 4.36Å
46P95.9Very high95.2Very high1 Ų128.8 Ų28.81%0.00616%0.158CC..Hα-helixtrans-52.7-44.8177-26.432.8000113.2G43 M49 A50 E90 Y91 K94G43-P46 VanDerWaalsContact O-CD 3.27Å; G43-P46 WeakPolarHBondContact O-CD 3.19Å; P46-M49 PolarHBondContact O-N 2.85Å; P46-A50 PolarHBondContact O-N 3.18Å; P46-E90 HydrophobicContact CB-CB 4.1Å; P46-E90 HydrophobicContact CG-CB 3.91Å; P46-Y91 HydrophobicContact CB-CD1 4.35Å; P46-Y91 HydrophobicContact CB-CD2 4.19Å; P46-Y91 HydrophobicContact CB-CE1 4.37Å; P46-Y91 HydrophobicContact CB-CE2 4.21Å; P46-Y91 HydrophobicContact CB-CG 4.28Å; P46-Y91 HydrophobicContact CG-CD2 3.83Å; P46-Y91 HydrophobicContact CG-CE2 3.63Å; P46-Y91 HydrophobicContact CG-CG 4.42Å; P46-K94 HydrophobicContact CB-CD 4.13Å
47D93.6Very high95.3Very high61 Ų6129.2 Ų29.233%0.32616%0.163SC..Hα-helixtrans-66.2-43.9178-64.8-61.5000111.7R9 L45 A50 K94R9-D47 VanDerWaalsContact NH2-C 3.28Å; R9-D47 PolarHBondContact NH2-O 3.11Å; L45-D47 VanDerWaalsContact C-N 3.29Å; L45-D47 PolarHBondContact O-N 3.35Å; D47-A50 PolarHBondContact O-N 3.12Å; D47-K94 VanDerWaalsContact CG-NZ 3.35Å; D47-K94 WeakPolarHBondContact OD1-CD 3.23Å; D47-K94 WeakPolarHBondContact OD1-CE 3.15Å; D47-K94 IonicContact OD1-NZ 2.65Å; D47-K94 PolarHBondContact OD1-NZ 3.28Å; D47-K94 IonicContact OD2-NZ 3.99Å; D47-K94 PolarHBondContact OD2-NZ 3.39Å
48L93.8Very high95.3Very high1 Ų129.2 Ų29.21%0.00516%0.162CC..Hα-helixtrans-66.9-38.7178-178.462.2000112R9 M12 V13 L16 S44 L45 A50 D51 V52 V202 T204R9-L48 HydrophobicContact CG-CD1 4.2Å; M12-L48 HydrophobicContact SD-CD2 3.76Å; V13-L48 HydrophobicContact CG2-CD1 3.7Å; L16-L48 HydrophobicContact CD1-CD2 3.47Å; L16-L48 VanDerWaalsContact CD1-CD2 3.47Å; L16-L48 HydrophobicContact CD1-CG 4Å; S44-L48 PolarHBondContact O-N 3.01Å; L45-L48 PolarHBondContact O-N 2.91Å; L45-L48 VanDerWaalsContact O-N 3.16Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-D51 PolarHBondContact O-N 3.17Å; L48-V52 HydrophobicContact CG-CG2 4.42Å; L48-V52 VanDerWaalsContact O-CG2 3.3Å; L48-V52 WeakPolarHBondContact O-CG2 3.44Å; L48-V52 PolarHBondContact O-N 3.21Å; L48-V202 HydrophobicContact CD2-CG1 3.7Å; L48-T204 HydrophobicContact CD2-CG2 4.38Å
49M95.6Very high95.1Very high0 Ų032.1 Ų32.10%019%0.187CC..Hα-helixtrans-68.6-32.9179.7-71.8-54.6102.300112L16 L40 L45 P46 D51 V52 F53 Y91 M95 L146L16-M49 HydrophobicContact CD1-CE 3.8Å; L16-M49 HydrophobicContact CD2-CE 4.39Å; L40-M49 HydrophobicContact CD2-CG 4.37Å; L45-M49 VanDerWaalsContact O-CB 3.29Å; L45-M49 WeakPolarHBondContact O-CB 3.12Å; L45-M49 WeakPolarHBondContact O-CG 3.12Å; L45-M49 PolarHBondContact O-N 2.91Å; P46-M49 PolarHBondContact O-N 2.85Å; M49-D51 PolarHBondContact O-N 2.86Å; M49-V52 HydrophobicContact CE-CB 4.31Å; M49-V52 HydrophobicContact CE-CG2 3.91Å; M49-V52 PolarHBondContact O-N 3.31Å; M49-V52 HydrophobicContact SD-CB 4.4Å; M49-V52 HydrophobicContact SD-CG1 4.49Å; M49-F53 HydrophobicContact CB-CD2 4.13Å; M49-F53 HydrophobicContact CB-CE2 4.25Å; M49-F53 HydrophobicContact CG-CE2 4.46Å; M49-F53 VanDerWaalsContact O-CD2 3.3Å; M49-F53 WeakPolarHBondContact O-CD2 3.36Å; M49-F53 PolarHBondContact O-N 3.42Å; M49-F53 HydrophobicContact SD-CE2 4.02Å; M49-Y91 HydrophobicContact CB-CE1 3.74Å; M49-Y91 HydrophobicContact CG-CE1 3.91Å; M49-Y91 WeakPolarHBondContact CG-OH 3.45Å; M49-M95 HydrophobicContact CB-SD 3.81Å; M49-L146 HydrophobicContact CE-CD1 4.4Å; M49-L146 HydrophobicContact SD-CD1 3.56Å; M49-L146 VanDerWaalsContact SD-CD1 3.56Å
50A96Very high94.8Very high10 Ų1037.2 Ų37.28%0.08321%0.214CC..Hα-helixtrans-56-41.2172.400000111.8P46 D47 L48 Q54 K94 M95P46-A50 PolarHBondContact O-N 3.18Å; D47-A50 PolarHBondContact O-N 3.12Å; L48-A50 VanDerWaalsContact C-N 3.33Å; A50-Q54 WeakPolarHBondContact O-CG 3.26Å; A50-Q54 PolarHBondContact O-NE2 3.08Å; A50-K94 WeakPolarHBondContact CB-O 3.45Å; A50-M95 HydrophobicContact CB-CB 4.18Å; A50-M95 HydrophobicContact CB-CG 4.43Å
51D95.3Very high94.5Very high61 Ų6137.7 Ų37.733%0.32622%0.216SC..Hα-helixtrans-73.4-42.4175.7-60-28.9000111.6R9 V13 L48 M49 F53 Q54 H55R9-D51 IonicContact CZ-OD2 3.65Å; R9-D51 VanDerWaalsContact CZ-OD2 3.3Å; R9-D51 IonicContact NE-OD2 3.69Å; R9-D51 PolarHBondContact NE-OD2 3.21Å; R9-D51 IonicContact NH2-OD2 3.54Å; R9-D51 PolarHBondContact NH2-OD2 3.22Å; V13-D51 HydrophobicContact CG1-CB 4.28Å; V13-D51 HydrophobicContact CG2-CB 3.69Å; L48-D51 PolarHBondContact O-N 3.17Å; M49-D51 PolarHBondContact O-N 2.86Å; D51-F53 PolarHBondContact O-N 3.26Å; D51-Q54 PolarHBondContact O-N 2.98Å; D51-H55 PolarHBondContact O-N 2.79Å
52V95.7Very high94.3Very high0 Ų038.7 Ų38.70%022%0.223CC..Hα-helixtrans-60.3-46.7-179.8170.30000112.4V13 L16 A17 I20 L48 M49 Q54 H55 L58V13-V52 HydrophobicContact CB-CG2 4.3Å; V13-V52 HydrophobicContact CG1-CG2 4.23Å; V13-V52 HydrophobicContact CG2-CG2 4.25Å; L16-V52 HydrophobicContact CB-CG1 4.14Å; L16-V52 HydrophobicContact CB-CG2 3.73Å; L16-V52 HydrophobicContact CD1-CG2 4.13Å; A17-V52 HydrophobicContact CB-CG1 4.26Å; I20-V52 HydrophobicContact CD1-CG1 3.71Å; L48-V52 HydrophobicContact CG-CG2 4.42Å; L48-V52 VanDerWaalsContact O-CG2 3.3Å; L48-V52 WeakPolarHBondContact O-CG2 3.44Å; L48-V52 PolarHBondContact O-N 3.21Å; M49-V52 HydrophobicContact CE-CB 4.31Å; M49-V52 HydrophobicContact CE-CG2 3.91Å; M49-V52 PolarHBondContact O-N 3.31Å; M49-V52 HydrophobicContact SD-CB 4.4Å; M49-V52 HydrophobicContact SD-CG1 4.49Å; V52-Q54 PolarHBondContact O-N 2.94Å; V52-H55 VanDerWaalsContact O-CB 3.27Å; V52-H55 WeakPolarHBondContact O-CB 3.34Å; V52-H55 PolarHBondContact O-N 2.95Å; V52-H55 VanDerWaalsContact O-N 3.1Å; V52-L58 HydrophobicContact CG1-CD1 3.78Å
53F95.7Very high94.2Very high4 Ų438.3 Ų38.32%0.01822%0.219CC..Hα-helixtrans-74.9-11.9-178.3-77.9-73.2000114I20 M49 D51 L58 L61 F71 M95 I99 M102I20-F53 HydrophobicContact CD1-CZ 4.34Å; M49-F53 HydrophobicContact CB-CD2 4.13Å; M49-F53 HydrophobicContact CB-CE2 4.25Å; M49-F53 HydrophobicContact CG-CE2 4.46Å; M49-F53 VanDerWaalsContact O-CD2 3.3Å; M49-F53 WeakPolarHBondContact O-CD2 3.36Å; M49-F53 PolarHBondContact O-N 3.42Å; M49-F53 HydrophobicContact SD-CE2 4.02Å; D51-F53 PolarHBondContact O-N 3.26Å; F53-L58 HydrophobicContact CD1-CD1 3.84Å; F53-L58 HydrophobicContact CE1-CD1 3.97Å; F53-L58 HydrophobicContact CG-CD1 4.45Å; F53-L61 HydrophobicContact CE1-CD1 4.14Å; F53-F71 HydrophobicContact CD1-CZ 4.39Å; F53-F71 AromaticContact CE1-CE1 3.83Å; F53-F71 HydrophobicContact CE1-CE1 3.83Å; F53-F71 AromaticContact CE1-CZ 3.61Å; F53-F71 HydrophobicContact CE1-CZ 3.61Å; F53-F71 HydrophobicContact CE2-CE1 4.18Å; F53-F71 HydrophobicContact CE2-CZ 4.45Å; F53-F71 AromaticContact CZ-CE1 3.41Å; F53-F71 HydrophobicContact CZ-CE1 3.41Å; F53-F71 VanDerWaalsContact CZ-CE1 3.41Å; F53-F71 AromaticContact CZ-CZ 3.67Å; F53-F71 HydrophobicContact CZ-CZ 3.67Å; F53-M95 HydrophobicContact CD2-CE 4.3Å; F53-M95 HydrophobicContact CD2-SD 3.55Å; F53-M95 VanDerWaalsContact CD2-SD 3.55Å; F53-M95 HydrophobicContact CE2-SD 4.21Å; F53-M95 HydrophobicContact CG-SD 4.33Å; F53-I99 HydrophobicContact CB-CD1 3.96Å; F53-M102 HydrophobicContact CB-CE 4.09Å; F53-M102 HydrophobicContact CD1-CE 4.25Å; F53-M102 HydrophobicContact CG-CE 4.13Å
54Q95Very high94.4Very high126 Ų12640.4 Ų40.459%0.58922%0.217SC*.Hα-helixtrans-90.4-13.1168.9-69.4-179.991.800112.8A50 D51 V52 I99A50-Q54 WeakPolarHBondContact O-CG 3.26Å; A50-Q54 PolarHBondContact O-NE2 3.08Å; D51-Q54 PolarHBondContact O-N 2.98Å; V52-Q54 PolarHBondContact O-N 2.94Å; Q54-I99 HydrophobicContact CG-CD1 3.81Å; Q54-I99 HydrophobicContact CG-CG1 3.87Å
55H96.2Very high94.6Very high39 Ų3941.5 Ų41.518%0.18122%0.221CC..SBendtrans-66.6137.2179.4-171.4-98000111.6V13 A17 D51 V52 T57 L58V13-H55 HydrophobicContact CG1-CB 4.19Å; A17-H55 HydrophobicContact CB-CB 4.06Å; D51-H55 PolarHBondContact O-N 2.79Å; V52-H55 VanDerWaalsContact O-CB 3.27Å; V52-H55 WeakPolarHBondContact O-CB 3.34Å; V52-H55 PolarHBondContact O-N 2.95Å; V52-H55 VanDerWaalsContact O-N 3.1Å; H55-T57 PolarHBondContact CE1-OG1 3.2Å; H55-T57 WeakPolarHBondContact ND1-CB 3.5Å; H55-T57 PolarHBondContact ND1-N 2.78Å; H55-T57 PolarHBondContact ND1-OG1 2.87Å; H55-T57 VanDerWaalsContact ND1-OG1 3.14Å; H55-T57 PolarHBondContact O-N 2.75Å; H55-L58 PolarHBondContact O-N 3.48Å
56K95.9Very high94.7Very high173 Ų17342.7 Ų42.775%0.75223%0.229SC*.G310 helixtrans-53.3-27.9-175.865.5-177.8177.1-176.70115.2L58 A59K56-L58 PolarHBondContact O-N 3.4Å; K56-A59 WeakPolarHBondContact O-CB 3.26Å; K56-A59 PolarHBondContact O-N 3.09Å; K56-A59 VanDerWaalsContact O-N 3.14Å
57T95.9Very high94.6Very high39 Ų3947.5 Ų47.524%0.23925%0.254CS..G310 helixtrans-62.7-23.5176.2-59.60000113.1A17 K18 K21 H55A17-T57 HydrophobicContact CB-CG2 4.33Å; K18-T57 HydrophobicContact CG-CG2 4.29Å; K21-T57 HydrophobicContact CB-CG2 3.92Å; K21-T57 HydrophobicContact CG-CG2 4.15Å; H55-T57 PolarHBondContact CE1-OG1 3.2Å; H55-T57 WeakPolarHBondContact ND1-CB 3.5Å; H55-T57 PolarHBondContact ND1-N 2.78Å; H55-T57 PolarHBondContact ND1-OG1 2.87Å; H55-T57 VanDerWaalsContact ND1-OG1 3.14Å; H55-T57 PolarHBondContact O-N 2.75Å
58L94.8Very high94.5Very high1 Ų150.2 Ų50.21%0.00526%0.26CS..G310 helixtrans-106.813.8177.3-57.8-168.7000112.7A17 I20 K21 V52 F53 H55 K56 D60 L61 K101A17-L58 HydrophobicContact CB-CD1 4.35Å; A17-L58 HydrophobicContact CB-CG 4.03Å; A17-L58 WeakPolarHBondContact O-CD2 3.4Å; I20-L58 HydrophobicContact CB-CD1 4.4Å; I20-L58 HydrophobicContact CB-CD2 4.34Å; I20-L58 HydrophobicContact CD1-CD1 4.34Å; I20-L58 HydrophobicContact CG2-CD1 4.1Å; I20-L58 HydrophobicContact CG2-CD2 4.1Å; K21-L58 HydrophobicContact CB-CD2 3.85Å; K21-L58 HydrophobicContact CD-CD2 4.48Å; V52-L58 HydrophobicContact CG1-CD1 3.78Å; F53-L58 HydrophobicContact CD1-CD1 3.84Å; F53-L58 HydrophobicContact CE1-CD1 3.97Å; F53-L58 HydrophobicContact CG-CD1 4.45Å; H55-L58 PolarHBondContact O-N 3.48Å; K56-L58 PolarHBondContact O-N 3.4Å; L58-D60 PolarHBondContact O-N 3.13Å; L58-L61 HydrophobicContact CB-CD1 4.04Å; L58-L61 HydrophobicContact CB-CG 4.12Å; L58-L61 HydrophobicContact CD1-CD1 4.1Å; L58-L61 HydrophobicContact CD2-CD1 3.76Å; L58-L61 HydrophobicContact CD2-CG 4.08Å; L58-L61 HydrophobicContact CG-CD1 4.18Å; L58-L61 PolarHBondContact O-N 3.34Å; L58-K101 PolarHBondContact O-NZ 3.5Å
59A93.3Very high94.6Very high62 Ų6250.1 Ų50.151%0.51226%0.26SS..THydrogen-bonded Turntrans-58.2-35.4-176.300000112.7K56 K101K56-A59 WeakPolarHBondContact O-CB 3.26Å; K56-A59 PolarHBondContact O-N 3.09Å; K56-A59 VanDerWaalsContact O-N 3.14Å; A59-K101 PolarHBondContact O-NZ 3.16Å
60D92.3Very high94.7Very high107 Ų10750.8 Ų50.857%0.57226%0.263SS*.THydrogen-bonded Turntrans-97.99.2-175.768.1-26.7000114.2K21 L58K21-D60 IonicContact NZ-OD1 3Å; K21-D60 PolarHBondContact NZ-OD1 3.23Å; K21-D60 IonicContact NZ-OD2 3.89Å; K21-D60 PolarHBondContact NZ-OD2 3.25Å; L58-D60 PolarHBondContact O-N 3.13Å
61L92.4Very high94.8Very high9 Ų950.3 Ų50.35%0.04726%0.259CS..SBendtrans-67.6138.9171.9-72.9-166.5000110.8I20 K21 F24 F53 L58 V63I20-L61 HydrophobicContact CG2-CD1 4.12Å; K21-L61 HydrophobicContact CD-CD2 4.33Å; F24-L61 HydrophobicContact CB-CD2 4.05Å; F24-L61 HydrophobicContact CD1-CD2 3.7Å; F24-L61 HydrophobicContact CD2-CD1 4.46Å; F24-L61 HydrophobicContact CD2-CD2 3.67Å; F24-L61 HydrophobicContact CE1-CD2 3.97Å; F24-L61 HydrophobicContact CE2-CD1 4.02Å; F24-L61 HydrophobicContact CE2-CD2 3.98Å; F24-L61 HydrophobicContact CG-CD2 3.53Å; F24-L61 HydrophobicContact CZ-CD1 4.09Å; F24-L61 HydrophobicContact CZ-CD2 4.1Å; F53-L61 HydrophobicContact CE1-CD1 4.14Å; L58-L61 HydrophobicContact CB-CD1 4.04Å; L58-L61 HydrophobicContact CB-CG 4.12Å; L58-L61 HydrophobicContact CD1-CD1 4.1Å; L58-L61 HydrophobicContact CD2-CD1 3.76Å; L58-L61 HydrophobicContact CD2-CG 4.08Å; L58-L61 HydrophobicContact CG-CD1 4.18Å; L58-L61 PolarHBondContact O-N 3.34Å; L61-V63 HydrophobicContact CB-CG1 3.92Å; L61-V63 PolarHBondContact O-N 2.88Å
62P93.3Very high94.9Very high24 Ų2447.4 Ų47.416%0.15624%0.243CC..  trans-80.958-176.736.3-37.7000111.4D64 N65 R68 L69P62-D64 PolarHBondContact O-N 2.96Å; P62-N65 HydrophobicContact CB-CB 4.16Å; P62-N65 PolarHBondContact O-N 3.33Å; P62-N65 VanDerWaalsContact O-N 3.09Å; P62-R68 HydrophobicContact CB-CB 3.93Å; P62-R68 HydrophobicContact CG-CB 3.6Å; P62-L69 HydrophobicContact CG-CB 4.15Å
63V94.2Very high95.1Very high2 Ų247.7 Ų47.71%0.01225%0.245CC..THydrogen-bonded Turntrans-72-1.6-175.1-67.20000114.4L61 L69 F71 K101 M102 S103 C106L61-V63 HydrophobicContact CB-CG1 3.92Å; L61-V63 PolarHBondContact O-N 2.88Å; V63-L69 HydrophobicContact CG1-CD2 3.83Å; V63-F71 HydrophobicContact CG1-CE2 4.46Å; V63-F71 HydrophobicContact CG1-CZ 4.42Å; V63-K101 HydrophobicContact CG2-CB 4.35Å; V63-K101 HydrophobicContact CG2-CD 3.72Å; V63-K101 HydrophobicContact CG2-CG 3.72Å; V63-M102 HydrophobicContact CB-CE 4.09Å; V63-M102 HydrophobicContact CB-SD 3.64Å; V63-M102 HydrophobicContact CG1-CE 4.03Å; V63-M102 HydrophobicContact CG1-SD 4.06Å; V63-M102 HydrophobicContact CG2-CE 4.49Å; V63-M102 HydrophobicContact CG2-SD 4.37Å; V63-S103 PolarHBondContact O-N 3.38Å; V63-C106 PolarHBondContact O-SG 3.09Å
64D94.7Very high95.2Very high95 Ų9547.5 Ų47.551%0.50824%0.244SC..THydrogen-bonded Turntrans-104.1-10.3173.260.9-17.1000113P62 P66P62-D64 PolarHBondContact O-N 2.96Å; D64-P66 WeakPolarHBondContact O-CD 3.34Å
65N95.2Very high95.4Very high56 Ų5642 Ų4230%0.29922%0.218SC..  trans-115.898.6-171-172.7-26.9000111.7P62 D67 R68 L69 C106P62-N65 HydrophobicContact CB-CB 4.16Å; P62-N65 PolarHBondContact O-N 3.33Å; P62-N65 VanDerWaalsContact O-N 3.09Å; N65-D67 PolarHBondContact O-N 3.49Å; N65-D67 VanDerWaalsContact O-N 3.15Å; N65-D67 WeakPolarHBondContact OD1-CB 3.17Å; N65-D67 PolarHBondContact OD1-N 3.28Å; N65-R68 HydrophobicContact CB-CB 4.49Å; N65-R68 PolarHBondContact O-N 2.98Å; N65-R68 PolarHBondContact OD1-N 3.21Å; N65-L69 PolarHBondContact O-N 2.96Å; N65-C106 VanDerWaalsContact C-SG 3.55Å
66P94.7Very high95.5Very high25 Ų2540.3 Ų40.316%0.16221%0.211CC..THydrogen-bonded Turntrans-65.6-17.3-178.427-34.9000113.7R35 D64 R68 L69 M70 R105 C106R35-P66 VanDerWaalsContact CD-O 3.29Å; R35-P66 WeakPolarHBondContact CD-O 3.45Å; R35-P66 PolarHBondContact NE-O 2.85Å; D64-P66 WeakPolarHBondContact O-CD 3.34Å; P66-R68 VanDerWaalsContact C-N 3.3Å; P66-L69 WeakPolarHBondContact CA-O 3.44Å; P66-M70 HydrophobicContact CB-CE 3.92Å; P66-R105 HydrophobicContact CB-CB 4.48Å; P66-R105 WeakPolarHBondContact CB-O 3.43Å; P66-R105 HydrophobicContact CG-CB 4.2Å; P66-C106 VanDerWaalsContact N-SG 3.44Å
67D92.7Very high95.6Very high103 Ų10334.4 Ų34.455%0.55118%0.184SC*.THydrogen-bonded Turntrans-77.1-18.2175-64.2-40.3000113R35 N65R35-D67 WeakPolarHBondContact CB-O 3.32Å; R35-D67 IonicContact CZ-OD1 3.17Å; R35-D67 IonicContact NH2-OD1 2.72Å; R35-D67 PolarHBondContact NH2-OD1 3.14Å; N65-D67 PolarHBondContact O-N 3.49Å; N65-D67 VanDerWaalsContact O-N 3.15Å; N65-D67 WeakPolarHBondContact OD1-CB 3.17Å; N65-D67 PolarHBondContact OD1-N 3.28Å
68R92.5Very high95.7Very high117 Ų11734.9 Ų34.944%0.44218%0.183SC..THydrogen-bonded Turntrans-108.3-28.4178.4-57.7-169.783-179.17113.4H36 P62 N65 P66H36-R68 PolarHBondContact N-O 2.75Å; P62-R68 HydrophobicContact CB-CB 3.93Å; P62-R68 HydrophobicContact CG-CB 3.6Å; N65-R68 HydrophobicContact CB-CB 4.49Å; N65-R68 PolarHBondContact O-N 2.98Å; N65-R68 PolarHBondContact OD1-N 3.21Å; P66-R68 VanDerWaalsContact C-N 3.3Å
69L95Very high95.9Very high0 Ų036 Ų360%019%0.189CC..EExtended strand (participates in β ladder)trans-144.2127.1-178.9174.652.8000111.5F24 H36 V38 P62 V63 N65 P66 F71 C106F24-L69 HydrophobicContact CE1-CB 4.38Å; F24-L69 HydrophobicContact CE1-CD1 3.77Å; F24-L69 HydrophobicContact CE1-CD2 4.01Å; F24-L69 HydrophobicContact CE1-CG 4.27Å; F24-L69 HydrophobicContact CZ-CD1 3.61Å; F24-L69 HydrophobicContact CZ-CD2 4.03Å; F24-L69 HydrophobicContact CZ-CG 4.4Å; H36-L69 HydrophobicContact CB-CD1 4.33Å; H36-L69 WeakPolarHBondContact O-CA 3.38Å; V38-L69 HydrophobicContact CB-CD1 4.43Å; V38-L69 HydrophobicContact CG2-CD1 3.79Å; P62-L69 HydrophobicContact CG-CB 4.15Å; V63-L69 HydrophobicContact CG1-CD2 3.83Å; N65-L69 PolarHBondContact O-N 2.96Å; P66-L69 WeakPolarHBondContact CA-O 3.44Å; L69-F71 HydrophobicContact CD1-CE1 4.39Å; L69-F71 HydrophobicContact CD1-CZ 4.3Å; L69-F71 HydrophobicContact CD2-CE2 3.9Å; L69-F71 HydrophobicContact CD2-CZ 3.72Å; L69-F71 HydrophobicContact CG-CE2 4.04Å; L69-F71 HydrophobicContact CG-CZ 4.13Å; L69-C106 PolarHBondContact O-SG 2.79Å
70M97.5Very high96.1Very high13 Ų1335.5 Ų35.56%0.06419%0.185CC..EExtended strand (participates in β ladder)trans-125.5127.9170-171.664.16200110.4R35 H36 I37 V38 P66 I72 C106 L108 V130R35-M70 HydrophobicContact CG-CB 4.46Å; H36-M70 PolarHBondContact O-N 3.12Å; I37-M70 WeakPolarHBondContact CA-O 3.43Å; I37-M70 HydrophobicContact CD1-CB 3.81Å; V38-M70 PolarHBondContact N-O 2.78Å; P66-M70 HydrophobicContact CB-CE 3.92Å; M70-I72 HydrophobicContact CG-CG2 4.35Å; M70-C106 CarbonylContact C-O 3.58Å; M70-C106 VanDerWaalsContact SD-O 3.38Å; M70-L108 HydrophobicContact CG-CB 4.3Å; M70-L108 HydrophobicContact SD-CB 4.12Å; M70-V130 HydrophobicContact CG-CG2 4.31Å
71F98.5Very high96.4Very high0 Ų032.6 Ų32.60%017%0.168CC..EExtended strand (participates in β ladder)trans-88.7135.4167.3-63.4-73.9000109.6V38 L40 F53 V63 L69 M102 C106 F107 L108V38-F71 HydrophobicContact CB-CD1 3.72Å; V38-F71 HydrophobicContact CB-CE1 3.9Å; V38-F71 HydrophobicContact CG1-CD1 3.86Å; V38-F71 HydrophobicContact CG1-CE1 3.89Å; V38-F71 HydrophobicContact CG2-CE1 4.39Å; V38-F71 CarbonylContact O-C 3.59Å; V38-F71 VanDerWaalsContact O-CA 3.29Å; V38-F71 WeakPolarHBondContact O-CA 3.45Å; L40-F71 HydrophobicContact CD1-CB 3.94Å; L40-F71 HydrophobicContact CD1-CD1 3.72Å; L40-F71 HydrophobicContact CD1-CG 4.04Å; L40-F71 HydrophobicContact CD2-CD1 4.41Å; L40-F71 HydrophobicContact CG-CD1 4.12Å; F53-F71 HydrophobicContact CD1-CZ 4.39Å; F53-F71 AromaticContact CE1-CE1 3.83Å; F53-F71 HydrophobicContact CE1-CE1 3.83Å; F53-F71 AromaticContact CE1-CZ 3.61Å; F53-F71 HydrophobicContact CE1-CZ 3.61Å; F53-F71 HydrophobicContact CE2-CE1 4.18Å; F53-F71 HydrophobicContact CE2-CZ 4.45Å; F53-F71 AromaticContact CZ-CE1 3.41Å; F53-F71 HydrophobicContact CZ-CE1 3.41Å; F53-F71 VanDerWaalsContact CZ-CE1 3.41Å; F53-F71 AromaticContact CZ-CZ 3.67Å; F53-F71 HydrophobicContact CZ-CZ 3.67Å; V63-F71 HydrophobicContact CG1-CE2 4.46Å; V63-F71 HydrophobicContact CG1-CZ 4.42Å; L69-F71 HydrophobicContact CD1-CE1 4.39Å; L69-F71 HydrophobicContact CD1-CZ 4.3Å; L69-F71 HydrophobicContact CD2-CE2 3.9Å; L69-F71 HydrophobicContact CD2-CZ 3.72Å; L69-F71 HydrophobicContact CG-CE2 4.04Å; L69-F71 HydrophobicContact CG-CZ 4.13Å; F71-M102 HydrophobicContact CE2-SD 3.91Å; F71-C106 WeakPolarHBondContact CB-O 3.49Å; F71-C106 HydrophobicContact CD2-CB 4.23Å; F71-C106 WeakPolarHBondContact CD2-O 3.21Å; F71-C106 PolarHBondContact N-O 2.66Å; F71-F107 HydrophobicContact CB-CD1 3.48Å; F71-F107 VanDerWaalsContact CB-CD1 3.48Å; F71-F107 HydrophobicContact CB-CE1 3.62Å; F71-F107 HydrophobicContact CB-CG 4.11Å; F71-F107 HydrophobicContact CB-CZ 4.34Å; F71-F107 HydrophobicContact CD1-CE1 4.48Å; F71-F107 HydrophobicContact CD2-CD1 4.04Å; F71-F107 HydrophobicContact CD2-CD2 4.26Å; F71-F107 AromaticContact CD2-CE1 3.54Å; F71-F107 HydrophobicContact CD2-CE1 3.54Å; F71-F107 AromaticContact CD2-CE2 3.76Å; F71-F107 HydrophobicContact CD2-CE2 3.76Å; F71-F107 HydrophobicContact CD2-CG 4.37Å; F71-F107 AromaticContact CD2-CZ 3.37Å; F71-F107 HydrophobicContact CD2-CZ 3.37Å; F71-F107 HydrophobicContact CE2-CE1 4.33Å; F71-F107 HydrophobicContact CE2-CE2 4.26Å; F71-F107 AromaticContact CE2-CZ 3.82Å; F71-F107 HydrophobicContact CE2-CZ 3.82Å; F71-F107 HydrophobicContact CG-CD1 4.01Å; F71-F107 AromaticContact CG-CE1 3.62Å; F71-F107 HydrophobicContact CG-CE1 3.62Å; F71-F107 AromaticContact CG-CZ 3.96Å; F71-F107 HydrophobicContact CG-CZ 3.96Å; F71-L108 PolarHBondContact O-N 3.28Å
72I98.7Very high96.7Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-122.7157.6173.669.5172.6000108.6I37 V38 G39 L40 M70 L108 L127 I142 L188I37-I72 HydrophobicContact CG2-CD1 3.88Å; I37-I72 HydrophobicContact CG2-CG1 4.16Å; I37-I72 HydrophobicContact CG2-CG2 3.9Å; V38-I72 PolarHBondContact O-N 3.47Å; G39-I72 CarbonylContact C-O 3.59Å; G39-I72 WeakPolarHBondContact CA-O 3.3Å; L40-I72 PolarHBondContact N-O 3.25Å; M70-I72 HydrophobicContact CG-CG2 4.35Å; I72-L108 HydrophobicContact CG2-CB 4.16Å; I72-L108 HydrophobicContact CG2-CD2 4.2Å; I72-L127 HydrophobicContact CB-CD1 4.48Å; I72-L127 HydrophobicContact CD1-CD1 4.02Å; I72-L127 HydrophobicContact CG2-CD1 3.78Å; I72-I142 HydrophobicContact CD1-CD1 3.87Å; I72-I142 HydrophobicContact CD1-CG1 4.33Å; I72-L188 HydrophobicContact CD1-CD1 4.22Å
73F98.7Very high96.9Very high6 Ų638.2 Ų38.23%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-99.9126.7176.4-65.4-72.5000109.9L40 D75 T87 Y88 Y91 F107 L108 T109 Y123L40-F73 HydrophobicContact CB-CD1 4.16Å; L40-F73 HydrophobicContact CB-CE1 4.23Å; L40-F73 HydrophobicContact CD1-CE1 4.32Å; L40-F73 WeakPolarHBondContact O-CA 3.15Å; F73-D75 VanDerWaalsContact C-N 3.27Å; F73-D75 PolarHBondContact O-N 2.93Å; F73-T87 HydrophobicContact CD1-CG2 3.53Å; F73-T87 HydrophobicContact CE1-CG2 4.03Å; F73-T87 HydrophobicContact CG-CG2 4.39Å; F73-Y88 AromaticContact CE2-CD2 3.6Å; F73-Y88 HydrophobicContact CE2-CD2 3.6Å; F73-Y88 HydrophobicContact CE2-CG 4.07Å; F73-Y88 AromaticContact CZ-CD2 3.6Å; F73-Y88 HydrophobicContact CZ-CD2 3.6Å; F73-Y88 HydrophobicContact CZ-CG 4.22Å; F73-Y91 HydrophobicContact CD1-CD2 4.3Å; F73-Y91 AromaticContact CE1-CD2 3.51Å; F73-Y91 HydrophobicContact CE1-CD2 3.51Å; F73-Y91 HydrophobicContact CE1-CE2 4.05Å; F73-Y91 HydrophobicContact CE1-CG 4.01Å; F73-Y91 HydrophobicContact CZ-CD2 4.42Å; F73-F107 HydrophobicContact CE2-CB 4.47Å; F73-F107 HydrophobicContact CE2-CD1 4.37Å; F73-F107 AromaticContact CZ-CD1 3.91Å; F73-F107 HydrophobicContact CZ-CD1 3.91Å; F73-L108 WeakPolarHBondContact CD2-O 3.45Å; F73-T109 HydrophobicContact CD2-CG2 4.47Å; F73-T109 HydrophobicContact CE2-CG2 3.97Å; F73-Y123 PolarHBondContact N-OH 2.84Å; F73-Y123 PolarHBondContact O-OH 3.32Å
74C98.6Very high97Very high1 Ų142.8 Ų42.81%0.00723%0.234CC..SBendtrans-68.8-31.2-177.9-60.10000111.9L40 L147 L188L40-C74 PolarHBondContact N-SG 2.72Å; L40-C74 PolarHBondContact O-N 2.77Å; C74-L147 HydrophobicContact CB-CD2 3.87Å; C74-L147 VanDerWaalsContact SG-CD2 3.52Å; C74-L188 HydrophobicContact CB-CD1 4.38Å; C74-L188 WeakPolarHBondContact O-CB 3.33Å; C74-L188 WeakPolarHBondContact O-CG 3.47Å; C74-L188 PolarHBondContact O-N 3.13Å
75D98.4Very high97.1Very high9 Ų941.5 Ų41.55%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-156.2154.8168.569.3-47.5000110.5F73 T87 C156 S157 V186F73-D75 VanDerWaalsContact C-N 3.27Å; F73-D75 PolarHBondContact O-N 2.93Å; D75-T87 PolarHBondContact O-OG1 2.83Å; D75-C156 HydrophobicContact CB-CB 4.04Å; D75-C156 VanDerWaalsContact CG-C 3.42Å; D75-S157 PolarHBondContact OD2-N 3.05Å; D75-S157 PolarHBondContact OD2-OG 3.23Å; D75-V186 CarbonylContact C-O 3.57Å; D75-V186 WeakPolarHBondContact CA-O 3.38Å
76E98.4Very high97.3Very high5 Ų538.9 Ų38.92%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-143144178.5-177.556.1-71.300110S86 T87 Y88 I110 R185 V186E76-S86 WeakPolarHBondContact OE1-CA 3.45Å; E76-S86 PolarHBondContact OE2-OG 3.29Å; E76-T87 VanDerWaalsContact CD-N 3.34Å; E76-T87 WeakPolarHBondContact OE1-CB 3.17Å; E76-T87 PolarHBondContact OE1-N 2.76Å; E76-T87 PolarHBondContact OE1-OG1 3.18Å; E76-T87 PolarHBondContact OE2-N 3.38Å; E76-Y88 WeakPolarHBondContact OE2-CB 2.99Å; E76-Y88 PolarHBondContact OE2-N 2.81Å; E76-I110 HydrophobicContact CB-CD1 4.15Å; E76-I110 HydrophobicContact CB-CG2 4.15Å; E76-I110 HydrophobicContact CG-CD1 3.41Å; E76-I110 VanDerWaalsContact CG-CD1 3.41Å; E76-I110 HydrophobicContact CG-CG1 3.82Å; E76-I110 HydrophobicContact CG-CG2 4.36Å; E76-R185 CarbonylContact O-C 3.58Å; E76-R185 VanDerWaalsContact O-CA 3.3Å; E76-R185 WeakPolarHBondContact O-CA 3.42Å; E76-V186 PolarHBondContact N-O 3.24Å; E76-V186 PolarHBondContact O-N 3.32Å
77R98.3Very high97.4Very high49 Ų4937.8 Ų37.819%0.18521%0.206CC..EExtended strand (participates in β ladder)trans-81.3129.8173.8-67.764.8176.2-923.5105.5V79 N85 P182R77-V79 HydrophobicContact CB-CG2 4.02Å; R77-V79 PolarHBondContact O-N 2.77Å; R77-N85 VanDerWaalsContact CD-O 3.3Å; R77-N85 WeakPolarHBondContact CD-O 3.2Å; R77-N85 HydrophobicContact CG-CB 4.45Å; R77-N85 WeakPolarHBondContact CG-O 3.14Å; R77-N85 PolarHBondContact NH1-O 3.18Å; R77-P182 HydrophobicContact CB-CG 4.27Å; R77-P182 HydrophobicContact CG-CG 4.32Å
78K97.9Very high97.7Very high49 Ų4933.9 Ų33.921%0.21318%0.184CC..SBendtrans-75.182.4178.5-168.2-74.3-169.9166.90108.2L114 V116 E184K78-L114 WeakPolarHBondContact CE-O 3.49Å; K78-L114 PolarHBondContact NZ-O 2.83Å; K78-V116 HydrophobicContact CB-CG2 4.28Å; K78-V116 HydrophobicContact CG-CB 4.28Å; K78-V116 HydrophobicContact CG-CG2 4.4Å; K78-E184 HydrophobicContact CB-CB 3.8Å; K78-E184 PolarHBondContact N-O 2.88Å; K78-E184 IonicContact NZ-OE2 2.65Å
79V98.3Very high98Very high24 Ų2428.3 Ų28.315%0.14516%0.163CC..SBendtrans-143.9165.5177.7-65.70000108.9R77 D83 N85 P112 P182R77-V79 HydrophobicContact CB-CG2 4.02Å; R77-V79 PolarHBondContact O-N 2.77Å; V79-D83 HydrophobicContact CB-CB 3.82Å; V79-D83 HydrophobicContact CG2-CB 3.62Å; V79-N85 HydrophobicContact CG2-CB 4.47Å; V79-P112 VanDerWaalsContact O-CB 3.28Å; V79-P112 WeakPolarHBondContact O-CB 3.32Å; V79-P182 HydrophobicContact CG1-CB 4.16Å; V79-P182 HydrophobicContact CG1-CG 3.9Å
80A98.3Very high98.2Very high52 Ų5230.1 Ų30.143%0.4317%0.171SC..  trans-61.1149.6173.200000111S82 D83A80-S82 PolarHBondContact O-N 2.78Å; A80-S82 VanDerWaalsContact O-N 3.15Å; A80-D83 WeakPolarHBondContact O-CB 3.49Å; A80-D83 PolarHBondContact O-N 3.18Å
81F98.3Very high98.2Very high46 Ų4629.5 Ų29.520%0.20217%0.168CC..THydrogen-bonded Turntrans-66.8-15.9179.1-60.6-38.3000114.4D83 S86 Y88 G89 R93 T109 I110 P112F81-D83 VanDerWaalsContact C-N 3.28Å; F81-S86 WeakPolarHBondContact CD1-OG 3.2Å; F81-Y88 HydrophobicContact CB-CD1 4.07Å; F81-Y88 HydrophobicContact CB-CE1 4.41Å; F81-Y88 AromaticContact CD1-CD1 3.57Å; F81-Y88 HydrophobicContact CD1-CD1 3.57Å; F81-Y88 HydrophobicContact CD1-CE1 4.46Å; F81-Y88 HydrophobicContact CD1-CG 4.39Å; F81-Y88 AromaticContact CD2-CD1 3.73Å; F81-Y88 HydrophobicContact CD2-CD1 3.73Å; F81-Y88 AromaticContact CD2-CE1 3.81Å; F81-Y88 HydrophobicContact CD2-CE1 3.81Å; F81-Y88 AromaticContact CE1-CD1 3.79Å; F81-Y88 HydrophobicContact CE1-CD1 3.79Å; F81-Y88 HydrophobicContact CE1-CG 4.39Å; F81-Y88 AromaticContact CE2-CD1 3.95Å; F81-Y88 HydrophobicContact CE2-CD1 3.95Å; F81-Y88 HydrophobicContact CE2-CE1 4.09Å; F81-Y88 AromaticContact CG-CD1 3.53Å; F81-Y88 HydrophobicContact CG-CD1 3.53Å; F81-Y88 HydrophobicContact CG-CE1 4Å; F81-Y88 AromaticContact CZ-CD1 3.97Å; F81-Y88 HydrophobicContact CZ-CD1 3.97Å; F81-G89 VanDerWaalsContact O-CA 3.31Å; F81-G89 WeakPolarHBondContact O-CA 2.91Å; F81-R93 PolarHBondContact O-NH1 3.45Å; F81-R93 VanDerWaalsContact O-NH1 3.15Å; F81-T109 HydrophobicContact CZ-CG2 4.33Å; F81-I110 HydrophobicContact CE1-CG1 4.01Å; F81-I110 HydrophobicContact CZ-CG1 4.22Å; F81-I110 WeakPolarHBondContact CZ-O 3.42Å; F81-P112 HydrophobicContact CD1-CG 4.5Å; F81-P112 HydrophobicContact CD2-CG 4.41Å; F81-P112 HydrophobicContact CE1-CG 4.21Å; F81-P112 HydrophobicContact CE2-CG 4.09Å; F81-P112 HydrophobicContact CZ-CG 3.99Å
82S97.7Very high98.2Very high102 Ų10234.7 Ų34.771%0.71319%0.188SC*.THydrogen-bonded Turntrans-74.4-18.4169.249.20000113.1A80A80-S82 PolarHBondContact O-N 2.78Å; A80-S82 VanDerWaalsContact O-N 3.15Å
83D97.9Very high98.1Very high49 Ų4938.8 Ų38.826%0.26220%0.203SC..SBendtrans-66.4137178.6-165.1-66.8000110.5V79 A80 F81 N85 S86 R93V79-D83 HydrophobicContact CB-CB 3.82Å; V79-D83 HydrophobicContact CG2-CB 3.62Å; A80-D83 WeakPolarHBondContact O-CB 3.49Å; A80-D83 PolarHBondContact O-N 3.18Å; F81-D83 VanDerWaalsContact C-N 3.28Å; D83-N85 PolarHBondContact O-N 3.21Å; D83-N85 VanDerWaalsContact O-N 3.16Å; D83-N85 WeakPolarHBondContact OD1-CA 3.38Å; D83-N85 WeakPolarHBondContact OD1-CB 3.41Å; D83-N85 PolarHBondContact OD1-N 3.07Å; D83-N85 PolarHBondContact OD1-ND2 3.42Å; D83-S86 PolarHBondContact O-N 3.14Å; D83-S86 VanDerWaalsContact O-N 3.16Å; D83-R93 PolarHBondContact O-NH2 3.2Å
84P97Very high98.1Very high97 Ų9740.7 Ų40.763%0.6321%0.211SC*.THydrogen-bonded Turntrans-57.9-23.6174.6-25.835.5000114.2
85N96.7Very high98Very high69 Ų6940.7 Ų40.737%0.36921%0.211SC..THydrogen-bonded Turntrans-85.2-9.5-179.4-60.9-75.5000113.8R77 V79 D83 T87 P182R77-N85 VanDerWaalsContact CD-O 3.3Å; R77-N85 WeakPolarHBondContact CD-O 3.2Å; R77-N85 HydrophobicContact CG-CB 4.45Å; R77-N85 WeakPolarHBondContact CG-O 3.14Å; R77-N85 PolarHBondContact NH1-O 3.18Å; V79-N85 HydrophobicContact CG2-CB 4.47Å; D83-N85 PolarHBondContact O-N 3.21Å; D83-N85 VanDerWaalsContact O-N 3.16Å; D83-N85 WeakPolarHBondContact OD1-CA 3.38Å; D83-N85 WeakPolarHBondContact OD1-CB 3.41Å; D83-N85 PolarHBondContact OD1-N 3.07Å; D83-N85 PolarHBondContact OD1-ND2 3.42Å; N85-T87 PolarHBondContact O-N 3.16Å; N85-P182 HydrophobicContact CB-CG 3.89Å
86S98.4Very high97.9Very high0 Ų040.4 Ų40.40%021%0.21CC..  trans-70.8122.8175.9171.50000110.9E76 F81 D83 Y88 G89 E90E76-S86 WeakPolarHBondContact OE1-CA 3.45Å; E76-S86 PolarHBondContact OE2-OG 3.29Å; F81-S86 WeakPolarHBondContact CD1-OG 3.2Å; D83-S86 PolarHBondContact O-N 3.14Å; D83-S86 VanDerWaalsContact O-N 3.16Å; S86-Y88 PolarHBondContact OG-N 2.74Å; S86-G89 PolarHBondContact O-N 3.01Å; S86-G89 PolarHBondContact OG-N 3.41Å; S86-E90 WeakPolarHBondContact O-CG 3.2Å; S86-E90 PolarHBondContact O-N 3.48Å
87T98.4Very high97.9Very high2 Ų244.2 Ų44.21%0.01223%0.23CC..Hα-helixtrans-57-53.2171.8-62.80000110.9F73 D75 E76 N85 G89 E90 Y91F73-T87 HydrophobicContact CD1-CG2 3.53Å; F73-T87 HydrophobicContact CE1-CG2 4.03Å; F73-T87 HydrophobicContact CG-CG2 4.39Å; D75-T87 PolarHBondContact O-OG1 2.83Å; E76-T87 VanDerWaalsContact CD-N 3.34Å; E76-T87 WeakPolarHBondContact OE1-CB 3.17Å; E76-T87 PolarHBondContact OE1-N 2.76Å; E76-T87 PolarHBondContact OE1-OG1 3.18Å; E76-T87 PolarHBondContact OE2-N 3.38Å; N85-T87 PolarHBondContact O-N 3.16Å; T87-G89 VanDerWaalsContact C-N 3.31Å; T87-G89 PolarHBondContact O-N 3.16Å; T87-E90 WeakPolarHBondContact O-CB 3.12Å; T87-E90 PolarHBondContact O-N 3.27Å; T87-Y91 HydrophobicContact CG2-CD2 3.99Å; T87-Y91 HydrophobicContact CG2-CE2 4.02Å; T87-Y91 WeakPolarHBondContact O-CD2 3.45Å; T87-Y91 PolarHBondContact O-N 2.83Å
88Y98.6Very high97.7Very high22 Ų2250.1 Ų50.19%0.08625%0.253CS..Hα-helixtrans-60.6-41.7175.9170.2-112.4000111.4F73 E76 F81 S86 E90 Y91 R92 I96 H104 F107 T109F73-Y88 AromaticContact CE2-CD2 3.6Å; F73-Y88 HydrophobicContact CE2-CD2 3.6Å; F73-Y88 HydrophobicContact CE2-CG 4.07Å; F73-Y88 AromaticContact CZ-CD2 3.6Å; F73-Y88 HydrophobicContact CZ-CD2 3.6Å; F73-Y88 HydrophobicContact CZ-CG 4.22Å; E76-Y88 WeakPolarHBondContact OE2-CB 2.99Å; E76-Y88 PolarHBondContact OE2-N 2.81Å; F81-Y88 HydrophobicContact CB-CD1 4.07Å; F81-Y88 HydrophobicContact CB-CE1 4.41Å; F81-Y88 AromaticContact CD1-CD1 3.57Å; F81-Y88 HydrophobicContact CD1-CD1 3.57Å; F81-Y88 HydrophobicContact CD1-CE1 4.46Å; F81-Y88 HydrophobicContact CD1-CG 4.39Å; F81-Y88 AromaticContact CD2-CD1 3.73Å; F81-Y88 HydrophobicContact CD2-CD1 3.73Å; F81-Y88 AromaticContact CD2-CE1 3.81Å; F81-Y88 HydrophobicContact CD2-CE1 3.81Å; F81-Y88 AromaticContact CE1-CD1 3.79Å; F81-Y88 HydrophobicContact CE1-CD1 3.79Å; F81-Y88 HydrophobicContact CE1-CG 4.39Å; F81-Y88 AromaticContact CE2-CD1 3.95Å; F81-Y88 HydrophobicContact CE2-CD1 3.95Å; F81-Y88 HydrophobicContact CE2-CE1 4.09Å; F81-Y88 AromaticContact CG-CD1 3.53Å; F81-Y88 HydrophobicContact CG-CD1 3.53Å; F81-Y88 HydrophobicContact CG-CE1 4Å; F81-Y88 AromaticContact CZ-CD1 3.97Å; F81-Y88 HydrophobicContact CZ-CD1 3.97Å; S86-Y88 PolarHBondContact OG-N 2.74Å; Y88-E90 VanDerWaalsContact C-N 3.3Å; Y88-E90 PolarHBondContact O-N 2.97Å; Y88-Y91 PolarHBondContact O-N 2.69Å; Y88-R92 VanDerWaalsContact O-CB 3.27Å; Y88-R92 WeakPolarHBondContact O-CB 3.36Å; Y88-R92 PolarHBondContact O-N 3.39Å; Y88-I96 HydrophobicContact CD2-CD1 4.31Å; Y88-I96 HydrophobicContact CE2-CD1 3.78Å; Y88-H104 PolarHBondContact OH-ND1 2.82Å; Y88-H104 VanDerWaalsContact OH-ND1 3.12Å; Y88-F107 HydrophobicContact CE2-CB 4.3Å; Y88-T109 HydrophobicContact CD1-CG2 3.74Å; Y88-T109 HydrophobicContact CD2-CG2 3.42Å; Y88-T109 VanDerWaalsContact CD2-CG2 3.42Å; Y88-T109 HydrophobicContact CE1-CG2 3.95Å; Y88-T109 HydrophobicContact CE2-CG2 3.66Å; Y88-T109 HydrophobicContact CG-CG2 3.45Å; Y88-T109 VanDerWaalsContact CG-CG2 3.45Å
89G98.4Very high97.6Very high0 Ų048.2 Ų48.20%024%0.244CC..Hα-helixtrans-55.5-43.9175.500000112.5F81 S86 T87 R92 R93F81-G89 VanDerWaalsContact O-CA 3.31Å; F81-G89 WeakPolarHBondContact O-CA 2.91Å; S86-G89 PolarHBondContact O-N 3.01Å; S86-G89 PolarHBondContact OG-N 3.41Å; T87-G89 VanDerWaalsContact C-N 3.31Å; T87-G89 PolarHBondContact O-N 3.16Å; G89-R92 WeakPolarHBondContact O-CB 3.24Å; G89-R92 PolarHBondContact O-N 3.16Å; G89-R93 WeakPolarHBondContact O-CG 3.49Å; G89-R93 VanDerWaalsContact O-CZ 3.23Å; G89-R93 PolarHBondContact O-N 2.79Å; G89-R93 PolarHBondContact O-NE 2.85Å; G89-R93 PolarHBondContact O-NH1 3.45Å
90E98.3Very high97.2Very high38 Ų3853.6 Ų53.618%0.17828%0.28CS..Hα-helixtrans-63.9-49.5175.4-74.3-7096.400111.9P46 S86 T87 Y88 R92 R93 K94P46-E90 HydrophobicContact CB-CB 4.1Å; P46-E90 HydrophobicContact CG-CB 3.91Å; S86-E90 WeakPolarHBondContact O-CG 3.2Å; S86-E90 PolarHBondContact O-N 3.48Å; T87-E90 WeakPolarHBondContact O-CB 3.12Å; T87-E90 PolarHBondContact O-N 3.27Å; Y88-E90 VanDerWaalsContact C-N 3.3Å; Y88-E90 PolarHBondContact O-N 2.97Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 3.03Å; E90-R93 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-CZ 3.36Å; E90-R93 IonicContact OE1-NE 3.95Å; E90-R93 PolarHBondContact OE1-NE 2.93Å; E90-R93 IonicContact OE1-NH2 2.78Å; E90-R93 PolarHBondContact OE1-NH2 3.25Å; E90-K94 VanDerWaalsContact O-CB 3.24Å; E90-K94 WeakPolarHBondContact O-CB 3.47Å; E90-K94 WeakPolarHBondContact O-CG 3.21Å; E90-K94 PolarHBondContact O-N 2.86Å; E90-K94 WeakPolarHBondContact OE2-CD 3.27Å; E90-K94 WeakPolarHBondContact OE2-CE 3.38Å; E90-K94 IonicContact OE2-NZ 2.61Å; E90-K94 PolarHBondContact OE2-NZ 2.85Å
91Y98.6Very high97Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-59.5-40.2176.1-87.6-80000112.2L40 S41 P46 M49 F73 T87 Y88 M95 I96L40-Y91 HydrophobicContact CB-CE1 4.41Å; L40-Y91 HydrophobicContact CB-CE2 3.93Å; L40-Y91 HydrophobicContact CD1-CD1 4.15Å; L40-Y91 HydrophobicContact CD1-CE1 3.82Å; L40-Y91 HydrophobicContact CD1-CE2 4.49Å; L40-Y91 HydrophobicContact CD2-CE1 4.27Å; L40-Y91 HydrophobicContact CG-CE1 4.4Å; S41-Y91 WeakPolarHBondContact O-CE2 3.07Å; S41-Y91 PolarHBondContact O-OH 2.64Å; P46-Y91 HydrophobicContact CB-CD1 4.35Å; P46-Y91 HydrophobicContact CB-CD2 4.19Å; P46-Y91 HydrophobicContact CB-CE1 4.37Å; P46-Y91 HydrophobicContact CB-CE2 4.21Å; P46-Y91 HydrophobicContact CB-CG 4.28Å; P46-Y91 HydrophobicContact CG-CD2 3.83Å; P46-Y91 HydrophobicContact CG-CE2 3.63Å; P46-Y91 HydrophobicContact CG-CG 4.42Å; M49-Y91 HydrophobicContact CB-CE1 3.74Å; M49-Y91 HydrophobicContact CG-CE1 3.91Å; M49-Y91 WeakPolarHBondContact CG-OH 3.45Å; F73-Y91 HydrophobicContact CD1-CD2 4.3Å; F73-Y91 AromaticContact CE1-CD2 3.51Å; F73-Y91 HydrophobicContact CE1-CD2 3.51Å; F73-Y91 HydrophobicContact CE1-CE2 4.05Å; F73-Y91 HydrophobicContact CE1-CG 4.01Å; F73-Y91 HydrophobicContact CZ-CD2 4.42Å; T87-Y91 HydrophobicContact CG2-CD2 3.99Å; T87-Y91 HydrophobicContact CG2-CE2 4.02Å; T87-Y91 WeakPolarHBondContact O-CD2 3.45Å; T87-Y91 PolarHBondContact O-N 2.83Å; Y88-Y91 PolarHBondContact O-N 2.69Å; Y91-M95 HydrophobicContact CD1-CB 4.41Å; Y91-M95 HydrophobicContact CD1-CE 3.56Å; Y91-M95 HydrophobicContact CD1-SD 3.84Å; Y91-M95 HydrophobicContact CE1-CE 4.07Å; Y91-M95 HydrophobicContact CE1-SD 4.04Å; Y91-M95 CarbonylContact O-C 3.5Å; Y91-M95 WeakPolarHBondContact O-CA 3.46Å; Y91-M95 WeakPolarHBondContact O-CB 3.46Å; Y91-M95 PolarHBondContact O-N 3.23Å; Y91-I96 PolarHBondContact O-N 3.39Å
92R98.1Very high96.8Very high109 Ų10953.4 Ų53.441%0.41127%0.27SS..Hα-helixtrans-57-57175.6177.1173.3178-171.62.5111.2Y88 G89 E90 K94 I96 D97Y88-R92 VanDerWaalsContact O-CB 3.27Å; Y88-R92 WeakPolarHBondContact O-CB 3.36Å; Y88-R92 PolarHBondContact O-N 3.39Å; G89-R92 WeakPolarHBondContact O-CB 3.24Å; G89-R92 PolarHBondContact O-N 3.16Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 3.03Å; R92-K94 PolarHBondContact O-N 2.85Å; R92-I96 PolarHBondContact O-N 3.48Å; R92-D97 WeakPolarHBondContact CG-OD1 3.34Å; R92-D97 WeakPolarHBondContact CG-OD2 3.34Å; R92-D97 IonicContact NE-OD1 2.62Å; R92-D97 IonicContact NE-OD2 3.65Å; R92-D97 PolarHBondContact NE-OD2 3.49Å; R92-D97 WeakPolarHBondContact O-CB 3.42Å; R92-D97 PolarHBondContact O-N 2.95Å
93R97.6Very high96.7Very high86 Ų8649.5 Ų49.533%0.32524%0.243SC..Hα-helixtrans-67.2-36.2-175.8-70-178.1-68.5-91.46.6113.8F81 D83 G89 E90 R98F81-R93 PolarHBondContact O-NH1 3.45Å; F81-R93 VanDerWaalsContact O-NH1 3.15Å; D83-R93 PolarHBondContact O-NH2 3.2Å; G89-R93 WeakPolarHBondContact O-CG 3.49Å; G89-R93 VanDerWaalsContact O-CZ 3.23Å; G89-R93 PolarHBondContact O-N 2.79Å; G89-R93 PolarHBondContact O-NE 2.85Å; G89-R93 PolarHBondContact O-NH1 3.45Å; E90-R93 PolarHBondContact O-N 3.27Å; E90-R93 IonicContact OE1-CZ 3.36Å; E90-R93 IonicContact OE1-NE 3.95Å; E90-R93 PolarHBondContact OE1-NE 2.93Å; E90-R93 IonicContact OE1-NH2 2.78Å; E90-R93 PolarHBondContact OE1-NH2 3.25Å; R93-R98 PolarHBondContact O-NE 3.48Å
94K96.9Very high96.7Very high45 Ų4550.9 Ų50.920%0.19625%0.247CC..Hα-helixtrans-96.9-25.6-170.1-66.8171.2159.2-175.30113.6P46 D47 A50 E90 R92 R98P46-K94 HydrophobicContact CB-CD 4.13Å; D47-K94 VanDerWaalsContact CG-NZ 3.35Å; D47-K94 WeakPolarHBondContact OD1-CD 3.23Å; D47-K94 WeakPolarHBondContact OD1-CE 3.15Å; D47-K94 IonicContact OD1-NZ 2.65Å; D47-K94 PolarHBondContact OD1-NZ 3.28Å; D47-K94 IonicContact OD2-NZ 3.99Å; D47-K94 PolarHBondContact OD2-NZ 3.39Å; A50-K94 WeakPolarHBondContact CB-O 3.45Å; E90-K94 VanDerWaalsContact O-CB 3.24Å; E90-K94 WeakPolarHBondContact O-CB 3.47Å; E90-K94 WeakPolarHBondContact O-CG 3.21Å; E90-K94 PolarHBondContact O-N 2.86Å; E90-K94 WeakPolarHBondContact OE2-CD 3.27Å; E90-K94 WeakPolarHBondContact OE2-CE 3.38Å; E90-K94 IonicContact OE2-NZ 2.61Å; E90-K94 PolarHBondContact OE2-NZ 2.85Å; R92-K94 PolarHBondContact O-N 2.85Å; K94-R98 WeakPolarHBondContact O-CD 3.48Å
95M96.7Very high96.7Very high1 Ų154.8 Ų54.81%0.00525%0.249CC..THydrogen-bonded Turntrans-129.3-58.7-171.7-175.3-178.387.300112.8M49 A50 F53 Y91 R98 I99 M102 F107M49-M95 HydrophobicContact CB-SD 3.81Å; A50-M95 HydrophobicContact CB-CB 4.18Å; A50-M95 HydrophobicContact CB-CG 4.43Å; F53-M95 HydrophobicContact CD2-CE 4.3Å; F53-M95 HydrophobicContact CD2-SD 3.55Å; F53-M95 VanDerWaalsContact CD2-SD 3.55Å; F53-M95 HydrophobicContact CE2-SD 4.21Å; F53-M95 HydrophobicContact CG-SD 4.33Å; Y91-M95 HydrophobicContact CD1-CB 4.41Å; Y91-M95 HydrophobicContact CD1-CE 3.56Å; Y91-M95 HydrophobicContact CD1-SD 3.84Å; Y91-M95 HydrophobicContact CE1-CE 4.07Å; Y91-M95 HydrophobicContact CE1-SD 4.04Å; Y91-M95 CarbonylContact O-C 3.5Å; Y91-M95 WeakPolarHBondContact O-CA 3.46Å; Y91-M95 WeakPolarHBondContact O-CB 3.46Å; Y91-M95 PolarHBondContact O-N 3.23Å; M95-R98 PolarHBondContact O-N 3.3Å; M95-I99 HydrophobicContact CG-CD1 3.67Å; M95-I99 WeakPolarHBondContact O-CB 3.29Å; M95-I99 VanDerWaalsContact O-CG1 3.32Å; M95-I99 WeakPolarHBondContact O-CG1 3.43Å; M95-I99 PolarHBondContact O-N 3.03Å; M95-I99 VanDerWaalsContact O-N 3.07Å; M95-M102 HydrophobicContact CE-CE 4.31Å; M95-F107 HydrophobicContact CE-CE1 3.77Å; M95-F107 HydrophobicContact CE-CZ 3.65Å
96I97.4Very high96.8Very high4 Ų451.5 Ų51.52%0.02123%0.232CC..G310 helixtrans-65.2-52-169.1-53.3171.5000110.7Y88 Y91 R92 R98 I99 M102 F107Y88-I96 HydrophobicContact CD2-CD1 4.31Å; Y88-I96 HydrophobicContact CE2-CD1 3.78Å; Y91-I96 PolarHBondContact O-N 3.39Å; R92-I96 PolarHBondContact O-N 3.48Å; I96-R98 PolarHBondContact O-N 2.62Å; I96-I99 PolarHBondContact O-N 3.25Å; I96-M102 HydrophobicContact CB-CG 4.34Å; I96-M102 HydrophobicContact CG1-CG 4.37Å; I96-M102 HydrophobicContact CG2-CB 4.47Å; I96-M102 HydrophobicContact CG2-CG 3.98Å; I96-F107 HydrophobicContact CD1-CD1 3.74Å; I96-F107 HydrophobicContact CD1-CD2 3.72Å; I96-F107 HydrophobicContact CD1-CE1 3.71Å; I96-F107 HydrophobicContact CD1-CE2 3.71Å; I96-F107 HydrophobicContact CD1-CG 3.75Å; I96-F107 HydrophobicContact CD1-CZ 3.71Å; I96-F107 HydrophobicContact CG1-CD2 4.28Å; I96-F107 HydrophobicContact CG1-CE1 3.99Å; I96-F107 HydrophobicContact CG1-CE2 3.76Å; I96-F107 HydrophobicContact CG1-CZ 3.6Å; I96-F107 HydrophobicContact CG2-CE2 4.27Å
97D97Very high96.8Very high85 Ų8552 Ų5246%0.45523%0.234SC..G310 helixtrans-72.8-10.9-176.4-62.82000112.2R92 H104R92-D97 WeakPolarHBondContact CG-OD1 3.34Å; R92-D97 WeakPolarHBondContact CG-OD2 3.34Å; R92-D97 IonicContact NE-OD1 2.62Å; R92-D97 IonicContact NE-OD2 3.65Å; R92-D97 PolarHBondContact NE-OD2 3.49Å; R92-D97 WeakPolarHBondContact O-CB 3.42Å; R92-D97 PolarHBondContact O-N 2.95Å; D97-H104 IonicContact OD1-CE1 2.86Å; D97-H104 PolarHBondContact OD1-CE1 2.88Å; D97-H104 IonicContact OD1-NE2 3.99Å; D97-H104 PolarHBondContact OD1-NE2 2.86Å; D97-H104 VanDerWaalsContact OD1-NE2 3.1Å
98R95.6Very high96.8Very high173 Ų17352.4 Ų52.465%0.65324%0.236SC*.G310 helixtrans-101.9-19.5-178.1-60.9-168.8-171.7-176.3-5.1114.2R93 K94 M95 I96 P100R93-R98 PolarHBondContact O-NE 3.48Å; K94-R98 WeakPolarHBondContact O-CD 3.48Å; M95-R98 PolarHBondContact O-N 3.3Å; I96-R98 PolarHBondContact O-N 2.62Å; R98-P100 WeakPolarHBondContact O-CD 3.43Å
99I94.3Very high96.8Very high8 Ų852.3 Ų52.34%0.04124%0.238CC..SBendtrans-103.9103.8-179.3-62.8174000107.9F53 Q54 M95 I96 K101 M102F53-I99 HydrophobicContact CB-CD1 3.96Å; Q54-I99 HydrophobicContact CG-CD1 3.81Å; Q54-I99 HydrophobicContact CG-CG1 3.87Å; M95-I99 HydrophobicContact CG-CD1 3.67Å; M95-I99 WeakPolarHBondContact O-CB 3.29Å; M95-I99 VanDerWaalsContact O-CG1 3.32Å; M95-I99 WeakPolarHBondContact O-CG1 3.43Å; M95-I99 PolarHBondContact O-N 3.03Å; M95-I99 VanDerWaalsContact O-N 3.07Å; I96-I99 PolarHBondContact O-N 3.25Å; I99-K101 HydrophobicContact CG2-CG 3.87Å; I99-K101 PolarHBondContact O-N 2.77Å; I99-M102 HydrophobicContact CB-CB 4.06Å; I99-M102 HydrophobicContact CD1-CE 4.34Å; I99-M102 HydrophobicContact CG2-CB 4.14Å; I99-M102 VanDerWaalsContact O-CB 3.27Å; I99-M102 WeakPolarHBondContact O-CB 3.3Å; I99-M102 PolarHBondContact O-N 3.16Å
100P91.4Very high96.8Very high138 Ų13852.5 Ų52.590%0.89624%0.239SC*.THydrogen-bonded Turntrans-57.7-27.6-168.1-29.236.2000115.9R98R98-P100 WeakPolarHBondContact O-CD 3.43Å
101K92.8Very high96.8Very high80 Ų8053.2 Ų53.235%0.34824%0.244SC..THydrogen-bonded Turntrans-82.7-8.6178.264.6170.7-174.6173.40114.3L58 A59 V63 I99L58-K101 PolarHBondContact O-NZ 3.5Å; A59-K101 PolarHBondContact O-NZ 3.16Å; V63-K101 HydrophobicContact CG2-CB 4.35Å; V63-K101 HydrophobicContact CG2-CD 3.72Å; V63-K101 HydrophobicContact CG2-CG 3.72Å; I99-K101 HydrophobicContact CG2-CG 3.87Å; I99-K101 PolarHBondContact O-N 2.77Å
102M95Very high96.8Very high14 Ų1454.9 Ų54.97%0.06925%0.254CS..  trans-82.8122.5-174.3-167.770.26900110.1F53 V63 F71 M95 I96 I99 F107F53-M102 HydrophobicContact CB-CE 4.09Å; F53-M102 HydrophobicContact CD1-CE 4.25Å; F53-M102 HydrophobicContact CG-CE 4.13Å; V63-M102 HydrophobicContact CB-CE 4.09Å; V63-M102 HydrophobicContact CB-SD 3.64Å; V63-M102 HydrophobicContact CG1-CE 4.03Å; V63-M102 HydrophobicContact CG1-SD 4.06Å; V63-M102 HydrophobicContact CG2-CE 4.49Å; V63-M102 HydrophobicContact CG2-SD 4.37Å; F71-M102 HydrophobicContact CE2-SD 3.91Å; M95-M102 HydrophobicContact CE-CE 4.31Å; I96-M102 HydrophobicContact CB-CG 4.34Å; I96-M102 HydrophobicContact CG1-CG 4.37Å; I96-M102 HydrophobicContact CG2-CB 4.47Å; I96-M102 HydrophobicContact CG2-CG 3.98Å; I99-M102 HydrophobicContact CB-CB 4.06Å; I99-M102 HydrophobicContact CD1-CE 4.34Å; I99-M102 HydrophobicContact CG2-CB 4.14Å; I99-M102 VanDerWaalsContact O-CB 3.27Å; I99-M102 WeakPolarHBondContact O-CB 3.3Å; I99-M102 PolarHBondContact O-N 3.16Å; M102-F107 HydrophobicContact CG-CE2 3.69Å; M102-F107 HydrophobicContact CG-CZ 3.95Å; M102-F107 HydrophobicContact SD-CE2 3.74Å; M102-F107 HydrophobicContact SD-CZ 3.7Å
103S96.3Very high96.8Very high20 Ų2054.4 Ų54.414%0.1427%0.268CS..  trans-96.5129.9179.4171.30000111.1V63 R105 C106 F107V63-S103 PolarHBondContact O-N 3.38Å; S103-R105 PolarHBondContact O-N 2.8Å; S103-R105 VanDerWaalsContact O-N 3.1Å; S103-R105 WeakPolarHBondContact OG-CB 3.28Å; S103-R105 PolarHBondContact OG-N 2.89Å; S103-C106 WeakPolarHBondContact O-CB 3.28Å; S103-C106 PolarHBondContact O-N 2.87Å; S103-F107 WeakPolarHBondContact O-CD2 3.34Å
104H97.4Very high96.8Very high77 Ų7752.7 Ų52.736%0.35627%0.265SS..G310 helixtrans-55.3-27.7170.3-71.6-87.8000113Y88 D97 C106 F107Y88-H104 PolarHBondContact OH-ND1 2.82Å; Y88-H104 VanDerWaalsContact OH-ND1 3.12Å; D97-H104 IonicContact OD1-CE1 2.86Å; D97-H104 PolarHBondContact OD1-CE1 2.88Å; D97-H104 IonicContact OD1-NE2 3.99Å; D97-H104 PolarHBondContact OD1-NE2 2.86Å; D97-H104 VanDerWaalsContact OD1-NE2 3.1Å; H104-C106 PolarHBondContact O-N 2.72Å; H104-F107 PolarHBondContact O-N 3.43Å
105R97.4Very high96.9Very high179 Ų17954.5 Ų54.568%0.67528%0.277SS*.G310 helixtrans-65.9-19.3179-58.8-177.9-67.6173.12.5112.9P66 S103 F107P66-R105 HydrophobicContact CB-CB 4.48Å; P66-R105 WeakPolarHBondContact CB-O 3.43Å; P66-R105 HydrophobicContact CG-CB 4.2Å; S103-R105 PolarHBondContact O-N 2.8Å; S103-R105 VanDerWaalsContact O-N 3.1Å; S103-R105 WeakPolarHBondContact OG-CB 3.28Å; S103-R105 PolarHBondContact OG-N 2.89Å; R105-F107 PolarHBondContact O-N 2.9Å
106C97.8Very high96.9Very high0 Ų054.5 Ų54.50%028%0.277CS..G310 helixtrans-81.55.7174.1-690000113V63 N65 P66 L69 M70 F71 S103 H104V63-C106 PolarHBondContact O-SG 3.09Å; N65-C106 VanDerWaalsContact C-SG 3.55Å; P66-C106 VanDerWaalsContact N-SG 3.44Å; L69-C106 PolarHBondContact O-SG 2.79Å; M70-C106 CarbonylContact C-O 3.58Å; M70-C106 VanDerWaalsContact SD-O 3.38Å; F71-C106 WeakPolarHBondContact CB-O 3.49Å; F71-C106 HydrophobicContact CD2-CB 4.23Å; F71-C106 WeakPolarHBondContact CD2-O 3.21Å; F71-C106 PolarHBondContact N-O 2.66Å; S103-C106 WeakPolarHBondContact O-CB 3.28Å; S103-C106 PolarHBondContact O-N 2.87Å; H104-C106 PolarHBondContact O-N 2.72Å
107F98.5Very high97Very high12 Ų1256.9 Ų56.95%0.05329%0.289CS..EExtended strand (participates in β ladder)trans-119.5118.9-179.4-65.4-97.8000111.4L40 F71 F73 Y88 M95 I96 M102 S103 H104 R105L40-F107 HydrophobicContact CD1-CE1 3.99Å; F71-F107 HydrophobicContact CB-CD1 3.48Å; F71-F107 VanDerWaalsContact CB-CD1 3.48Å; F71-F107 HydrophobicContact CB-CE1 3.62Å; F71-F107 HydrophobicContact CB-CG 4.11Å; F71-F107 HydrophobicContact CB-CZ 4.34Å; F71-F107 HydrophobicContact CD1-CE1 4.48Å; F71-F107 HydrophobicContact CD2-CD1 4.04Å; F71-F107 HydrophobicContact CD2-CD2 4.26Å; F71-F107 AromaticContact CD2-CE1 3.54Å; F71-F107 HydrophobicContact CD2-CE1 3.54Å; F71-F107 AromaticContact CD2-CE2 3.76Å; F71-F107 HydrophobicContact CD2-CE2 3.76Å; F71-F107 HydrophobicContact CD2-CG 4.37Å; F71-F107 AromaticContact CD2-CZ 3.37Å; F71-F107 HydrophobicContact CD2-CZ 3.37Å; F71-F107 HydrophobicContact CE2-CE1 4.33Å; F71-F107 HydrophobicContact CE2-CE2 4.26Å; F71-F107 AromaticContact CE2-CZ 3.82Å; F71-F107 HydrophobicContact CE2-CZ 3.82Å; F71-F107 HydrophobicContact CG-CD1 4.01Å; F71-F107 AromaticContact CG-CE1 3.62Å; F71-F107 HydrophobicContact CG-CE1 3.62Å; F71-F107 AromaticContact CG-CZ 3.96Å; F71-F107 HydrophobicContact CG-CZ 3.96Å; F73-F107 HydrophobicContact CE2-CB 4.47Å; F73-F107 HydrophobicContact CE2-CD1 4.37Å; F73-F107 AromaticContact CZ-CD1 3.91Å; F73-F107 HydrophobicContact CZ-CD1 3.91Å; Y88-F107 HydrophobicContact CE2-CB 4.3Å; M95-F107 HydrophobicContact CE-CE1 3.77Å; M95-F107 HydrophobicContact CE-CZ 3.65Å; I96-F107 HydrophobicContact CD1-CD1 3.74Å; I96-F107 HydrophobicContact CD1-CD2 3.72Å; I96-F107 HydrophobicContact CD1-CE1 3.71Å; I96-F107 HydrophobicContact CD1-CE2 3.71Å; I96-F107 HydrophobicContact CD1-CG 3.75Å; I96-F107 HydrophobicContact CD1-CZ 3.71Å; I96-F107 HydrophobicContact CG1-CD2 4.28Å; I96-F107 HydrophobicContact CG1-CE1 3.99Å; I96-F107 HydrophobicContact CG1-CE2 3.76Å; I96-F107 HydrophobicContact CG1-CZ 3.6Å; I96-F107 HydrophobicContact CG2-CE2 4.27Å; M102-F107 HydrophobicContact CG-CE2 3.69Å; M102-F107 HydrophobicContact CG-CZ 3.95Å; M102-F107 HydrophobicContact SD-CE2 3.74Å; M102-F107 HydrophobicContact SD-CZ 3.7Å; S103-F107 WeakPolarHBondContact O-CD2 3.34Å; H104-F107 PolarHBondContact O-N 3.43Å; R105-F107 PolarHBondContact O-N 2.9Å
108L98.5Very high97.1Very high10 Ų1056.6 Ų56.65%0.05229%0.286CS..EExtended strand (participates in β ladder)trans-88.9112.1172.2-175.474.5000110.4M70 F71 I72 F73 Y123 R126 L127 V130M70-L108 HydrophobicContact CG-CB 4.3Å; M70-L108 HydrophobicContact SD-CB 4.12Å; F71-L108 PolarHBondContact O-N 3.28Å; I72-L108 HydrophobicContact CG2-CB 4.16Å; I72-L108 HydrophobicContact CG2-CD2 4.2Å; F73-L108 WeakPolarHBondContact CD2-O 3.45Å; L108-Y123 HydrophobicContact CD2-CE2 3.97Å; L108-Y123 HydrophobicContact CG-CE2 3.84Å; L108-Y123 WeakPolarHBondContact O-CE2 3.44Å; L108-Y123 PolarHBondContact O-OH 3.02Å; L108-R126 HydrophobicContact CD1-CB 3.87Å; L108-L127 HydrophobicContact CD2-CB 4.05Å; L108-L127 HydrophobicContact CD2-CD1 3.92Å; L108-V130 HydrophobicContact CD2-CG2 3.99Å
109T98.5Very high97.2Very high19 Ų1948.4 Ų48.412%0.11725%0.254CS..  trans-106.3164.2-178.761.30000112.6F73 F81 Y88 Y123 R126F73-T109 HydrophobicContact CD2-CG2 4.47Å; F73-T109 HydrophobicContact CE2-CG2 3.97Å; F81-T109 HydrophobicContact CZ-CG2 4.33Å; Y88-T109 HydrophobicContact CD1-CG2 3.74Å; Y88-T109 HydrophobicContact CD2-CG2 3.42Å; Y88-T109 VanDerWaalsContact CD2-CG2 3.42Å; Y88-T109 HydrophobicContact CE1-CG2 3.95Å; Y88-T109 HydrophobicContact CE2-CG2 3.66Å; Y88-T109 HydrophobicContact CG-CG2 3.45Å; Y88-T109 VanDerWaalsContact CG-CG2 3.45Å; T109-Y123 VanDerWaalsContact C-CE2 3.5Å; T109-Y123 WeakPolarHBondContact O-CD2 3.5Å; T109-R126 VanDerWaalsContact O-CZ 3.29Å; T109-R126 PolarHBondContact O-NH1 2.83Å
110I98.6Very high97.4Very high5 Ų548.1 Ų48.13%0.02625%0.254CS..  trans-68.5170.7166.366.1167.9000111.6E76 F81 P112 Y123 V186E76-I110 HydrophobicContact CB-CD1 4.15Å; E76-I110 HydrophobicContact CB-CG2 4.15Å; E76-I110 HydrophobicContact CG-CD1 3.41Å; E76-I110 VanDerWaalsContact CG-CD1 3.41Å; E76-I110 HydrophobicContact CG-CG1 3.82Å; E76-I110 HydrophobicContact CG-CG2 4.36Å; F81-I110 HydrophobicContact CE1-CG1 4.01Å; F81-I110 HydrophobicContact CZ-CG1 4.22Å; F81-I110 WeakPolarHBondContact CZ-O 3.42Å; I110-P112 HydrophobicContact CD1-CB 4.42Å; I110-Y123 HydrophobicContact CB-CD2 4.44Å; I110-Y123 HydrophobicContact CG2-CD2 3.79Å; I110-Y123 HydrophobicContact CG2-CE2 4.28Å; I110-Y123 HydrophobicContact CG2-CG 3.99Å; I110-V186 HydrophobicContact CG2-CB 4.22Å; I110-V186 HydrophobicContact CG2-CG1 4.16Å
111D98.4Very high97.8Very high53 Ų5347.5 Ų47.528%0.28324%0.237SC..  trans-102102.1161.7-175.6-13.3000109.1S113 L114 C119D111-S113 PolarHBondContact O-N 3.39Å; D111-S113 WeakPolarHBondContact OD1-CB 3.34Å; D111-S113 PolarHBondContact OD1-N 3.48Å; D111-S113 PolarHBondContact OD1-OG 3.37Å; D111-S113 PolarHBondContact OD2-OG 2.72Å; D111-L114 HydrophobicContact CB-CD1 3.96Å; D111-L114 HydrophobicContact CB-CG 4.17Å; D111-L114 PolarHBondContact O-N 3.17Å; D111-C119 PolarHBondContact O-SG 3.47Å
112P97.5Very high98.1Very high34 Ų3445.9 Ų45.922%0.22123%0.232CC..THydrogen-bonded Turntrans-73.9-6.2-175.331.6-35.6000113.6V79 F81 I110V79-P112 VanDerWaalsContact O-CB 3.28Å; V79-P112 WeakPolarHBondContact O-CB 3.32Å; F81-P112 HydrophobicContact CD1-CG 4.5Å; F81-P112 HydrophobicContact CD2-CG 4.41Å; F81-P112 HydrophobicContact CE1-CG 4.21Å; F81-P112 HydrophobicContact CE2-CG 4.09Å; F81-P112 HydrophobicContact CZ-CG 3.99Å; I110-P112 HydrophobicContact CD1-CB 4.42Å
113S98.1Very high98.2Very high99 Ų9945.4 Ų45.469%0.69223%0.229SC*.THydrogen-bonded Turntrans-77.9-21.4176.973.60000113.3D111D111-S113 PolarHBondContact O-N 3.39Å; D111-S113 WeakPolarHBondContact OD1-CB 3.34Å; D111-S113 PolarHBondContact OD1-N 3.48Å; D111-S113 PolarHBondContact OD1-OG 3.37Å; D111-S113 PolarHBondContact OD2-OG 2.72Å
114L98.5Very high98.3Very high51 Ų5146.1 Ų46.127%0.26723%0.23SC..SBendtrans-78.6157.4176.8-58.7176.3000111.3K78 D111 E118 C119 N122K78-L114 WeakPolarHBondContact CE-O 3.49Å; K78-L114 PolarHBondContact NZ-O 2.83Å; D111-L114 HydrophobicContact CB-CD1 3.96Å; D111-L114 HydrophobicContact CB-CG 4.17Å; D111-L114 PolarHBondContact O-N 3.17Å; L114-E118 HydrophobicContact CB-CB 4.28Å; L114-E118 HydrophobicContact CD1-CB 4.48Å; L114-C119 HydrophobicContact CB-CB 4.14Å; L114-N122 HydrophobicContact CD1-CB 3.67Å
115D98.2Very high98.4Very high82 Ų8248.7 Ų48.744%0.43924%0.241SC..  trans-63.1162.3163.867.573.1000111D117 E118 C119D115-D117 VanDerWaalsContact C-N 3.3Å; D115-D117 PolarHBondContact O-N 2.99Å; D115-D117 PolarHBondContact OD1-N 3Å; D115-E118 PolarHBondContact O-N 2.92Å; D115-E118 PolarHBondContact OD1-N 3.32Å; D115-C119 WeakPolarHBondContact O-CB 3.34Å; D115-C119 PolarHBondContact O-N 2.9Å
116V98.4Very high98.5Very high1 Ų143.6 Ų43.61%0.00622%0.221CC..Hα-helixtrans-63.3-32-170.570.50000113.9K78 A120 P174 K176 E184 R185 V186K78-V116 HydrophobicContact CB-CG2 4.28Å; K78-V116 HydrophobicContact CG-CB 4.28Å; K78-V116 HydrophobicContact CG-CG2 4.4Å; V116-A120 PolarHBondContact O-N 2.84Å; V116-P174 HydrophobicContact CG1-CB 4.24Å; V116-P174 HydrophobicContact CG2-CB 3.89Å; V116-P174 WeakPolarHBondContact O-CB 3.28Å; V116-K176 HydrophobicContact CG1-CD 4.31Å; V116-K176 HydrophobicContact CG1-CG 3.55Å; V116-E184 HydrophobicContact CB-CB 4.25Å; V116-E184 HydrophobicContact CB-CG 4.45Å; V116-E184 HydrophobicContact CG1-CG 4.42Å; V116-E184 HydrophobicContact CG2-CB 4.17Å; V116-R185 VanDerWaalsContact CG2-O 3.32Å; V116-R185 WeakPolarHBondContact CG2-O 3.38Å; V116-V186 HydrophobicContact CG2-CG2 4.2Å
117D98.5Very high98.5Very high54 Ų5443.6 Ų43.629%0.28922%0.221SC..Hα-helixtrans-71-48.2179.8-66.4-43.2000110.7D115 C119 A120 K121 P174 K176D115-D117 VanDerWaalsContact C-N 3.3Å; D115-D117 PolarHBondContact O-N 2.99Å; D115-D117 PolarHBondContact OD1-N 3Å; D117-C119 VanDerWaalsContact C-N 3.32Å; D117-A120 PolarHBondContact O-N 3.49Å; D117-K121 WeakPolarHBondContact O-CG 3.05Å; D117-K121 PolarHBondContact O-N 3.04Å; D117-K121 VanDerWaalsContact O-N 3.13Å; D117-P174 WeakPolarHBondContact OD1-CG 3.3Å; D117-K176 VanDerWaalsContact CG-CE 3.43Å; D117-K176 VanDerWaalsContact OD1-CE 3.25Å; D117-K176 WeakPolarHBondContact OD1-CE 3.49Å; D117-K176 IonicContact OD1-NZ 2.94Å; D117-K176 WeakPolarHBondContact OD2-CE 3.43Å; D117-K176 IonicContact OD2-NZ 2.75Å; D117-K176 PolarHBondContact OD2-NZ 3.14Å
118E98.6Very high98.4Very high80 Ų8046.9 Ų46.937%0.37423%0.233SC..Hα-helixtrans-69.3-32.4176.6-68.6-51139.300112.1L114 D115 A120 K121 N122L114-E118 HydrophobicContact CB-CB 4.28Å; L114-E118 HydrophobicContact CD1-CB 4.48Å; D115-E118 PolarHBondContact O-N 2.92Å; D115-E118 PolarHBondContact OD1-N 3.32Å; E118-A120 PolarHBondContact O-N 3.23Å; E118-K121 PolarHBondContact O-N 3.46Å; E118-K121 IonicContact OE1-NZ 3.18Å; E118-K121 PolarHBondContact OE1-NZ 3.45Å; E118-K121 WeakPolarHBondContact OE2-CD 3.25Å; E118-N122 WeakPolarHBondContact O-CB 3.19Å; E118-N122 PolarHBondContact O-N 3.36Å
119C98.7Very high98.3Very high0 Ų052.4 Ų52.40%026%0.259CS..Hα-helixtrans-59.6-46172.8-168.80000111.4D111 L114 D115 D117 N122 Y123 V186D111-C119 PolarHBondContact O-SG 3.47Å; L114-C119 HydrophobicContact CB-CB 4.14Å; D115-C119 WeakPolarHBondContact O-CB 3.34Å; D115-C119 PolarHBondContact O-N 2.9Å; D117-C119 VanDerWaalsContact C-N 3.32Å; C119-N122 PolarHBondContact O-N 3.03Å; C119-Y123 WeakPolarHBondContact O-CB 3.22Å; C119-Y123 PolarHBondContact O-N 2.9Å; C119-V186 HydrophobicContact CB-CG2 4.08Å
120A98.7Very high98.1Very high3 Ų352.8 Ų52.83%0.02526%0.261CS..Hα-helixtrans-64.5-44.8176.700000112.5V116 D117 E118 Y123 E124 V172 P174 V186V116-A120 PolarHBondContact O-N 2.84Å; D117-A120 PolarHBondContact O-N 3.49Å; E118-A120 PolarHBondContact O-N 3.23Å; A120-Y123 PolarHBondContact O-N 2.57Å; A120-E124 PolarHBondContact O-N 3.14Å; A120-V172 HydrophobicContact CB-CG1 4.13Å; A120-P174 HydrophobicContact CB-CB 3.98Å; A120-P174 HydrophobicContact CB-CG 4.25Å; A120-V186 HydrophobicContact CB-CG1 4.09Å; A120-V186 HydrophobicContact CB-CG2 4.28Å
121K98.7Very high98Very high124 Ų12453.2 Ų53.254%0.53926%0.264SS..Hα-helixtrans-62.5-43.3176-68171.6-169.8168.80111.9D117 E118 E124 K125D117-K121 WeakPolarHBondContact O-CG 3.05Å; D117-K121 PolarHBondContact O-N 3.04Å; D117-K121 VanDerWaalsContact O-N 3.13Å; E118-K121 PolarHBondContact O-N 3.46Å; E118-K121 IonicContact OE1-NZ 3.18Å; E118-K121 PolarHBondContact OE1-NZ 3.45Å; E118-K121 WeakPolarHBondContact OE2-CD 3.25Å; K121-E124 PolarHBondContact O-N 3.35Å; K121-K125 WeakPolarHBondContact O-CB 3.41Å; K121-K125 PolarHBondContact O-N 3.34Å
122N98.8Very high97.8Very high46 Ų4654.8 Ų54.825%0.24628%0.276CS..Hα-helixtrans-61.4-45.3176.9-177.7-81.6000111.2L114 E118 C119 K125 R126L114-N122 HydrophobicContact CD1-CB 3.67Å; E118-N122 WeakPolarHBondContact O-CB 3.19Å; E118-N122 PolarHBondContact O-N 3.36Å; C119-N122 PolarHBondContact O-N 3.03Å; N122-K125 PolarHBondContact O-N 2.82Å; N122-R126 WeakPolarHBondContact O-CG 3.22Å; N122-R126 PolarHBondContact O-N 2.86Å; N122-R126 WeakPolarHBondContact OD1-CD 3.09Å
123Y98.8Very high97.7Very high5 Ų556 Ų562%0.0228%0.279CS..Hα-helixtrans-62.6-44.4177.7-166.4-113.5000111.9F73 L108 T109 I110 C119 A120 K125 R126 L127 V172 V186F73-Y123 PolarHBondContact N-OH 2.84Å; F73-Y123 PolarHBondContact O-OH 3.32Å; L108-Y123 HydrophobicContact CD2-CE2 3.97Å; L108-Y123 HydrophobicContact CG-CE2 3.84Å; L108-Y123 WeakPolarHBondContact O-CE2 3.44Å; L108-Y123 PolarHBondContact O-OH 3.02Å; T109-Y123 VanDerWaalsContact C-CE2 3.5Å; T109-Y123 WeakPolarHBondContact O-CD2 3.5Å; I110-Y123 HydrophobicContact CB-CD2 4.44Å; I110-Y123 HydrophobicContact CG2-CD2 3.79Å; I110-Y123 HydrophobicContact CG2-CE2 4.28Å; I110-Y123 HydrophobicContact CG2-CG 3.99Å; C119-Y123 WeakPolarHBondContact O-CB 3.22Å; C119-Y123 PolarHBondContact O-N 2.9Å; A120-Y123 PolarHBondContact O-N 2.57Å; Y123-K125 PolarHBondContact O-N 2.88Å; Y123-R126 PolarHBondContact O-N 3.32Å; Y123-L127 VanDerWaalsContact O-CB 3.31Å; Y123-L127 WeakPolarHBondContact O-CB 3.49Å; Y123-L127 PolarHBondContact O-N 3.18Å; Y123-V172 HydrophobicContact CD1-CG1 4.08Å; Y123-V172 HydrophobicContact CD1-CG2 3.96Å; Y123-V186 HydrophobicContact CD1-CG1 4.44Å
124E98.7Very high97.3Very high34 Ų3454 Ų5416%0.15926%0.261CS..Hα-helixtrans-60-45.4175.4-172.8170.5132.100111.9A120 K121 R126 L127 R128 W171 V172A120-E124 PolarHBondContact O-N 3.14Å; K121-E124 PolarHBondContact O-N 3.35Å; E124-R126 PolarHBondContact O-N 2.95Å; E124-L127 WeakPolarHBondContact O-CB 3.38Å; E124-L127 PolarHBondContact O-N 3.1Å; E124-R128 WeakPolarHBondContact O-CG 3.3Å; E124-R128 PolarHBondContact O-N 3.34Å; E124-R128 IonicContact OE1-CZ 3.3Å; E124-R128 IonicContact OE1-NE 3.1Å; E124-R128 PolarHBondContact OE1-NE 2.87Å; E124-R128 VanDerWaalsContact OE1-NE 3.14Å; E124-R128 IonicContact OE1-NH2 2.74Å; E124-R128 PolarHBondContact OE1-NH2 3.18Å; E124-W171 HydrophobicContact CG-CB 4.02Å; E124-W171 HydrophobicContact CG-CE3 4.37Å; E124-W171 WeakPolarHBondContact OE2-CB 3.3Å; E124-W171 PolarHBondContact OE2-N 3.21Å; E124-V172 HydrophobicContact CB-CB 3.96Å; E124-V172 HydrophobicContact CB-CG2 3.71Å; E124-V172 HydrophobicContact CG-CG2 4.19Å; E124-V172 PolarHBondContact OE2-N 3.02Å
125K98.5Very high97Very high132 Ų13263.4 Ų63.457%0.57429%0.293SS*.Hα-helixtrans-57.2-50.7177.4-179.8-175.4173-174.20111.2K121 N122 Y123 L127 R128 E129K121-K125 WeakPolarHBondContact O-CB 3.41Å; K121-K125 PolarHBondContact O-N 3.34Å; N122-K125 PolarHBondContact O-N 2.82Å; Y123-K125 PolarHBondContact O-N 2.88Å; K125-L127 VanDerWaalsContact C-N 3.3Å; K125-L127 PolarHBondContact O-N 3.27Å; K125-R128 WeakPolarHBondContact O-CB 3.4Å; K125-R128 PolarHBondContact O-N 2.93Å; K125-E129 WeakPolarHBondContact CE-OE1 3.48Å; K125-E129 WeakPolarHBondContact O-CG 3.32Å; K125-E129 PolarHBondContact O-N 3.48Å
126R98.5Very high96.6Very high71 Ų7166 Ų6627%0.26831%0.312SS..Hα-helixtrans-66-33.9179.5-65.9172.761.7-162.2-6.6112.2L108 T109 N122 Y123 E124 E129 V130L108-R126 HydrophobicContact CD1-CB 3.87Å; T109-R126 VanDerWaalsContact O-CZ 3.29Å; T109-R126 PolarHBondContact O-NH1 2.83Å; N122-R126 WeakPolarHBondContact O-CG 3.22Å; N122-R126 PolarHBondContact O-N 2.86Å; N122-R126 WeakPolarHBondContact OD1-CD 3.09Å; Y123-R126 PolarHBondContact O-N 3.32Å; E124-R126 PolarHBondContact O-N 2.95Å; R126-E129 PolarHBondContact O-N 2.92Å; R126-V130 PolarHBondContact O-N 2.86Å
127L98.2Very high96.3Very high0 Ų068.8 Ų68.80%033%0.329CS..Hα-helixtrans-62.8-44174.1-175.962.7000110.9I72 L108 Y123 E124 K125 E129 V130 V131 W171 L188I72-L127 HydrophobicContact CB-CD1 4.48Å; I72-L127 HydrophobicContact CD1-CD1 4.02Å; I72-L127 HydrophobicContact CG2-CD1 3.78Å; L108-L127 HydrophobicContact CD2-CB 4.05Å; L108-L127 HydrophobicContact CD2-CD1 3.92Å; Y123-L127 VanDerWaalsContact O-CB 3.31Å; Y123-L127 WeakPolarHBondContact O-CB 3.49Å; Y123-L127 PolarHBondContact O-N 3.18Å; E124-L127 WeakPolarHBondContact O-CB 3.38Å; E124-L127 PolarHBondContact O-N 3.1Å; K125-L127 VanDerWaalsContact C-N 3.3Å; K125-L127 PolarHBondContact O-N 3.27Å; L127-E129 PolarHBondContact O-N 3.11Å; L127-V130 HydrophobicContact CD1-CG2 4.37Å; L127-V130 WeakPolarHBondContact O-CG2 3.21Å; L127-V130 PolarHBondContact O-N 3.14Å; L127-V130 VanDerWaalsContact O-N 3.15Å; L127-V131 HydrophobicContact CD1-CG1 3.58Å; L127-V131 HydrophobicContact CG-CG1 4.17Å; L127-V131 WeakPolarHBondContact O-CG1 3.31Å; L127-V131 VanDerWaalsContact O-CG2 3.23Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.89Å; L127-W171 HydrophobicContact CD2-CE3 4.19Å; L127-W171 HydrophobicContact CG-CE3 4.49Å; L127-L188 HydrophobicContact CD2-CD2 4.22Å
128R97.3Very high96.1Very high81 Ų8170.7 Ų70.731%0.30634%0.34SS..Hα-helixtrans-60.1-29.6176-71.3172.8-178.2-71.2-3.6113.2E124 K125 W171E124-R128 WeakPolarHBondContact O-CG 3.3Å; E124-R128 PolarHBondContact O-N 3.34Å; E124-R128 IonicContact OE1-CZ 3.3Å; E124-R128 IonicContact OE1-NE 3.1Å; E124-R128 PolarHBondContact OE1-NE 2.87Å; E124-R128 VanDerWaalsContact OE1-NE 3.14Å; E124-R128 IonicContact OE1-NH2 2.74Å; E124-R128 PolarHBondContact OE1-NH2 3.18Å; K125-R128 WeakPolarHBondContact O-CB 3.4Å; K125-R128 PolarHBondContact O-N 2.93Å; R128-W171 HydrophobicContact CB-CZ3 4.32Å; R128-W171 HydrophobicContact CG-CE3 3.86Å; R128-W171 HydrophobicContact CG-CH2 3.82Å; R128-W171 HydrophobicContact CG-CZ3 3.35Å
129E96.3Very high95.9Very high127 Ų12767.7 Ų67.759%0.59333%0.326SS*.Hα-helixtrans-74.6-26.2178-67.8165.8-176.800113K125 R126 L127K125-E129 WeakPolarHBondContact CE-OE1 3.48Å; K125-E129 WeakPolarHBondContact O-CG 3.32Å; K125-E129 PolarHBondContact O-N 3.48Å; R126-E129 PolarHBondContact O-N 2.92Å; L127-E129 PolarHBondContact O-N 3.11Å
130V95.1Very high95.8Very high26 Ų2667.7 Ų67.716%0.15833%0.326CS..Hα-helixtrans-105.3-14.8-173-56.20000114.9R35 M70 L108 R126 L127R35-V130 WeakPolarHBondContact CD-O 3.41Å; R35-V130 PolarHBondContact NH1-O 3.32Å; M70-V130 HydrophobicContact CG-CG2 4.31Å; L108-V130 HydrophobicContact CD2-CG2 3.99Å; R126-V130 PolarHBondContact O-N 2.86Å; L127-V130 HydrophobicContact CD1-CG2 4.37Å; L127-V130 WeakPolarHBondContact O-CG2 3.21Å; L127-V130 PolarHBondContact O-N 3.14Å; L127-V130 VanDerWaalsContact O-N 3.15Å
131V95.2Very high95.5Very high15 Ų1569.2 Ų69.29%0.09133%0.333CS..SBendtrans-106.9151.3-177.4-54.20000112.5I37 L127 P140 W171I37-V131 HydrophobicContact CD1-CG1 3.96Å; I37-V131 HydrophobicContact CG1-CB 4.48Å; I37-V131 HydrophobicContact CG1-CG1 3.9Å; I37-V131 HydrophobicContact CG2-CG1 4.27Å; L127-V131 HydrophobicContact CD1-CG1 3.58Å; L127-V131 HydrophobicContact CG-CG1 4.17Å; L127-V131 WeakPolarHBondContact O-CG1 3.31Å; L127-V131 VanDerWaalsContact O-CG2 3.23Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.89Å; V131-P140 HydrophobicContact CB-CB 4.26Å; V131-P140 HydrophobicContact CG1-CB 4.46Å; V131-P140 HydrophobicContact CG2-CB 3.67Å; V131-W171 HydrophobicContact CG2-CH2 4.32Å; V131-W171 HydrophobicContact CG2-CZ3 4.05Å
132T94.5Very high95.3Very high85 Ų8563.3 Ų63.352%0.52131%0.308SS..PPolyproline II helixtrans-76.9132.9163.7-51.70000109.7N141T132-N141 VanDerWaalsContact O-CB 3.23Å; T132-N141 WeakPolarHBondContact O-CB 3.37Å; T132-N141 PolarHBondContact O-N 3.41Å; T132-N141 PolarHBondContact O-ND2 2.98Å
133I94.7Very high95Very high59 Ų5961.4 Ų61.430%0.30330%0.298SS..BIsolated β-bridgetrans-92.6129.2178.8-48.4-171.1000109.3R135 W171I133-R135 PolarHBondContact O-N 2.96Å; I133-W171 HydrophobicContact CD1-CH2 3.84Å; I133-W171 HydrophobicContact CD1-CZ2 4.43Å; I133-W171 HydrophobicContact CG1-CH2 3.91Å; I133-W171 HydrophobicContact CG2-CH2 4.22Å; I133-W171 HydrophobicContact CG2-CZ2 4.1Å
134D91Very high94.8Very high57 Ų5761.2 Ų61.231%0.30530%0.297SS..PPolyproline II helixtrans-68.9122.2171.6-179.6-76.2000109.4T136 T137 N138 M139 N141D134-T136 VanDerWaalsContact C-N 3.29Å; D134-T136 PolarHBondContact O-N 2.98Å; D134-T136 WeakPolarHBondContact OD1-CA 3.43Å; D134-T136 WeakPolarHBondContact OD1-CB 3.24Å; D134-T136 PolarHBondContact OD1-N 3.27Å; D134-T137 VanDerWaalsContact CB-OG1 3.31Å; D134-T137 WeakPolarHBondContact CB-OG1 3.34Å; D134-T137 VanDerWaalsContact CG-OG1 3.25Å; D134-T137 PolarHBondContact OD1-N 2.99Å; D134-T137 PolarHBondContact OD1-OG1 3.22Å; D134-N138 WeakPolarHBondContact O-CA 3.49Å; D134-N138 PolarHBondContact O-N 3.41Å; D134-M139 PolarHBondContact N-O 3.08Å; D134-N141 PolarHBondContact N-ND2 3.37Å; D134-N141 VanDerWaalsContact N-ND2 3.16Å
135R91Very high94.7Very high249 Ų24959.6 Ų59.694%0.9429%0.29SS*.THydrogen-bonded Turntrans-72-21.7-172.3-67.9-174.4174.9-152.2-0.9113.7I133I133-R135 PolarHBondContact O-N 2.96Å
136T91.4Very high94.5Very high137 Ų13753.3 Ų53.384%0.8426%0.262SS*.THydrogen-bonded Turntrans-85.7-42.2-177.9-59.50000110.8D134D134-T136 VanDerWaalsContact C-N 3.29Å; D134-T136 PolarHBondContact O-N 2.98Å; D134-T136 WeakPolarHBondContact OD1-CA 3.43Å; D134-T136 WeakPolarHBondContact OD1-CB 3.24Å; D134-T136 PolarHBondContact OD1-N 3.27Å
137T90.9Very high94.4Very high59 Ų5949.9 Ų49.936%0.36225%0.25SC..THydrogen-bonded Turntrans-98.4-15.2-175.359.10000113.3D134 M139D134-T137 VanDerWaalsContact CB-OG1 3.31Å; D134-T137 WeakPolarHBondContact CB-OG1 3.34Å; D134-T137 VanDerWaalsContact CG-OG1 3.25Å; D134-T137 PolarHBondContact OD1-N 2.99Å; D134-T137 PolarHBondContact OD1-OG1 3.22Å; T137-M139 PolarHBondContact O-N 3.03Å; T137-M139 PolarHBondContact OG1-N 3.47Å
138N94.5Very high94.1Very high95 Ų9550.5 Ų50.551%0.50826%0.255SS..  trans54.237.2-170.3-16739.2000112.7D134 W171D134-N138 WeakPolarHBondContact O-CA 3.49Å; D134-N138 PolarHBondContact O-N 3.41Å; N138-W171 WeakPolarHBondContact O-CZ2 3.09Å; N138-W171 PolarHBondContact O-NE1 2.95Å
139M94.8Very high93.6Very high16 Ų1647.1 Ų47.18%0.07924%0.244CC..  trans-116.4155.1-178.6-69.8-69.8151.500111.3D134 T137 P191 V192 N195D134-M139 PolarHBondContact N-O 3.08Å; T137-M139 PolarHBondContact O-N 3.03Å; T137-M139 PolarHBondContact OG1-N 3.47Å; M139-P191 HydrophobicContact CE-CB 3.78Å; M139-P191 HydrophobicContact SD-CB 3.94Å; M139-V192 HydrophobicContact SD-CG2 4.46Å; M139-N195 HydrophobicContact CB-CB 3.59Å; M139-N195 HydrophobicContact CG-CB 3.9Å
140P96.2Very high93.2Very high1 Ų141.4 Ų41.41%0.00622%0.219CC..BIsolated β-bridgetrans-71.6134.3-178.930.5-34.3000110.5V131 I142 W171 V192V131-P140 HydrophobicContact CB-CB 4.26Å; V131-P140 HydrophobicContact CG1-CB 4.46Å; V131-P140 HydrophobicContact CG2-CB 3.67Å; P140-I142 HydrophobicContact CB-CD1 4.41Å; P140-I142 HydrophobicContact CB-CG1 4.19Å; P140-I142 HydrophobicContact CG-CD1 3.92Å; P140-I142 HydrophobicContact CG-CG1 4.19Å; P140-I142 PolarHBondContact O-N 3.05Å; P140-W171 HydrophobicContact CB-CE3 4.15Å; P140-W171 HydrophobicContact CB-CH2 3.93Å; P140-W171 HydrophobicContact CB-CZ2 4.48Å; P140-W171 HydrophobicContact CB-CZ3 3.74Å; P140-W171 HydrophobicContact CG-CD2 4.19Å; P140-W171 HydrophobicContact CG-CE3 4.03Å; P140-W171 HydrophobicContact CG-CH2 4.38Å; P140-W171 HydrophobicContact CG-CZ3 4.13Å; P140-V192 HydrophobicContact CG-CG1 3.87Å; P140-V192 HydrophobicContact CG-CG2 4.14Å
141N92.8Very high92.7Very high34 Ų3443.5 Ų43.518%0.18223%0.233CC..  trans-7293171.3-82.1-91.5000110.1T132 D134T132-N141 VanDerWaalsContact O-CB 3.23Å; T132-N141 WeakPolarHBondContact O-CB 3.37Å; T132-N141 PolarHBondContact O-N 3.41Å; T132-N141 PolarHBondContact O-ND2 2.98Å; D134-N141 PolarHBondContact N-ND2 3.37Å; D134-N141 VanDerWaalsContact N-ND2 3.16Å
142I94.1Very high92.4Very high1 Ų145.7 Ų45.71%0.00524%0.244CC..  trans-98.5125.9175.3-60.7171.7000109.5I37 I72 P140 L145 V192 A196 K197I37-I142 HydrophobicContact CG2-CG1 4.15Å; I37-I142 HydrophobicContact CG2-CG2 4.36Å; I72-I142 HydrophobicContact CD1-CD1 3.87Å; I72-I142 HydrophobicContact CD1-CG1 4.33Å; P140-I142 HydrophobicContact CB-CD1 4.41Å; P140-I142 HydrophobicContact CB-CG1 4.19Å; P140-I142 HydrophobicContact CG-CD1 3.92Å; P140-I142 HydrophobicContact CG-CG1 4.19Å; P140-I142 PolarHBondContact O-N 3.05Å; I142-L145 HydrophobicContact CD1-CD2 4.16Å; I142-L145 HydrophobicContact CG2-CD2 3.68Å; I142-L145 HydrophobicContact CG2-CG 3.94Å; I142-V192 HydrophobicContact CD1-CG1 3.4Å; I142-V192 VanDerWaalsContact CD1-CG1 3.4Å; I142-A196 HydrophobicContact CB-CB 4.11Å; I142-A196 HydrophobicContact CG2-CB 4.29Å; I142-K197 WeakPolarHBondContact O-CB 3.44Å; I142-K197 WeakPolarHBondContact O-CG 3.46Å; I142-K197 PolarHBondContact O-N 3.25Å
143S93Very high92Very high6 Ų643.1 Ų43.14%0.04224%0.235CC..SBendtrans-68.9-48.9-179.2-53.10000111.1I37 C198I37-S143 PolarHBondContact N-OG 3.17Å; I37-S143 VanDerWaalsContact O-CB 3.3Å; I37-S143 WeakPolarHBondContact O-CB 3.42Å; I37-S143 PolarHBondContact O-N 2.79Å; S143-C198 WeakPolarHBondContact O-CB 3.23Å; S143-C198 PolarHBondContact O-N 3.47Å
144V93.9Very high91.8Very high0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-152.6140.9175.954.50000111.8Q23 I37 V38 G39 L146 C198 I200Q23-V144 HydrophobicContact CB-CG1 4.47Å; Q23-V144 HydrophobicContact CG-CB 3.94Å; Q23-V144 HydrophobicContact CG-CG1 3.9Å; I37-V144 PolarHBondContact O-N 2.69Å; V38-V144 WeakPolarHBondContact CA-O 3.47Å; V38-V144 HydrophobicContact CB-CG1 4.45Å; V38-V144 HydrophobicContact CG1-CG1 4.15Å; V38-V144 HydrophobicContact CG2-CG1 4.01Å; G39-V144 PolarHBondContact N-O 2.95Å; V144-L146 HydrophobicContact CG2-CD2 3.95Å; V144-L146 HydrophobicContact CG2-CG 4.49Å; V144-C198 CarbonylContact C-O 3.46Å; V144-C198 VanDerWaalsContact CA-O 3.28Å; V144-C198 WeakPolarHBondContact CA-O 3.49Å; V144-C198 HydrophobicContact CB-CB 4.13Å; V144-C198 HydrophobicContact CG2-CB 4.15Å; V144-I200 HydrophobicContact CG2-CD1 3.75Å; V144-I200 HydrophobicContact CG2-CG1 3.94Å
145L95.8Very high91.9Very high0 Ų039.5 Ų39.50%022%0.216CC..EExtended strand (participates in β ladder)trans-105.4124.2166.4-65.8178.7000109.9I142 L147 L188 I193 A196 C198 V199 I200I142-L145 HydrophobicContact CD1-CD2 4.16Å; I142-L145 HydrophobicContact CG2-CD2 3.68Å; I142-L145 HydrophobicContact CG2-CG 3.94Å; L145-L147 HydrophobicContact CB-CD1 4.38Å; L145-L147 HydrophobicContact CB-CD2 3.94Å; L145-L147 HydrophobicContact CB-CG 3.93Å; L145-L188 HydrophobicContact CD2-CD1 4.17Å; L145-I193 HydrophobicContact CD1-CB 4.23Å; L145-I193 HydrophobicContact CD1-CG1 3.99Å; L145-I193 HydrophobicContact CD1-CG2 4.39Å; L145-A196 HydrophobicContact CD1-CB 3.63Å; L145-A196 HydrophobicContact CG-CB 3.76Å; L145-C198 PolarHBondContact N-O 3.1Å; L145-V199 HydrophobicContact CB-CG2 4.5Å; L145-V199 HydrophobicContact CD1-CG2 4.45Å; L145-I200 PolarHBondContact O-N 3.12Å
146L96.1Very high92.2Very high0 Ų027.9 Ų27.90%017%0.173CC..EExtended strand (participates in β ladder)trans-97.998.4171.9-56.8177.7000108L16 I20 V38 G39 L40 S41 L45 M49 V144 I200L16-L146 HydrophobicContact CD2-CD2 4.12Å; I20-L146 HydrophobicContact CD1-CD1 3.84Å; I20-L146 HydrophobicContact CG1-CD1 4.29Å; I20-L146 HydrophobicContact CG1-CD2 4.42Å; V38-L146 HydrophobicContact CG1-CD1 4.31Å; G39-L146 WeakPolarHBondContact O-CB 3.24Å; G39-L146 PolarHBondContact O-N 2.82Å; L40-L146 HydrophobicContact CD2-CD1 3.96Å; S41-L146 PolarHBondContact N-O 2.88Å; S41-L146 PolarHBondContact OG-O 3.15Å; L45-L146 HydrophobicContact CD2-CB 4.19Å; L45-L146 WeakPolarHBondContact CD2-O 3.32Å; M49-L146 HydrophobicContact CE-CD1 4.4Å; M49-L146 HydrophobicContact SD-CD1 3.56Å; M49-L146 VanDerWaalsContact SD-CD1 3.56Å; V144-L146 HydrophobicContact CG2-CD2 3.95Å; V144-L146 HydrophobicContact CG2-CG 4.49Å; L146-I200 HydrophobicContact CD2-CB 3.96Å; L146-I200 HydrophobicContact CD2-CD1 3.88Å; L146-I200 HydrophobicContact CD2-CG1 4.35Å; L146-I200 HydrophobicContact CD2-CG2 4.44Å
147L95.1Very high92.4Very high0 Ų021.4 Ų21.40%013%0.133CC..EExtended strand (participates in β ladder)trans-103.2126.7-168.7-63.2-169.8000112.3S41 C74 L145 I193 V199 I200 F201 V202S41-L147 WeakPolarHBondContact OG-CA 3.42Å; C74-L147 HydrophobicContact CB-CD2 3.87Å; C74-L147 VanDerWaalsContact SG-CD2 3.52Å; L145-L147 HydrophobicContact CB-CD1 4.38Å; L145-L147 HydrophobicContact CB-CD2 3.94Å; L145-L147 HydrophobicContact CB-CG 3.93Å; L147-I193 HydrophobicContact CD1-CD1 4.45Å; L147-I193 HydrophobicContact CD1-CG1 4.42Å; L147-I193 HydrophobicContact CD1-CG2 3.9Å; L147-V199 HydrophobicContact CD1-CG1 3.6Å; L147-V199 HydrophobicContact CG-CG1 4.15Å; L147-I200 PolarHBondContact N-O 3.15Å; L147-F201 HydrophobicContact CB-CD1 3.65Å; L147-F201 HydrophobicContact CB-CE1 3.81Å; L147-F201 HydrophobicContact CB-CG 4.49Å; L147-F201 HydrophobicContact CD1-CD1 4.37Å; L147-F201 HydrophobicContact CD1-CE1 3.7Å; L147-F201 HydrophobicContact CD1-CZ 4.04Å; L147-F201 HydrophobicContact CG-CE1 4.39Å; L147-F201 CarbonylContact O-C 3.51Å; L147-F201 WeakPolarHBondContact O-CA 3.43Å; L147-V202 PolarHBondContact O-N 3.05Å
148G91.9Very high92.6Very high12 Ų1218.8 Ų18.812%0.12412%0.117CC..EExtended strand (participates in β ladder)trans-79.4146.916800000111.2S41 T155S41-G148 PolarHBondContact OG-N 3.49Å; G148-T155 WeakPolarHBondContact O-CA 3.4Å; G148-T155 PolarHBondContact O-OG1 3.42Å
149V88.4Confident92.6Very high11 Ų1114.4 Ų14.47%0.0679%0.093CC..BIsolated β-bridgetrans-112.9131171.1-174.90000109.6H154 F201 K208 I211V149-H154 WeakPolarHBondContact CA-O 3.48Å; V149-F201 HydrophobicContact CG2-CB 4.09Å; V149-F201 HydrophobicContact CG2-CD1 3.58Å; V149-F201 HydrophobicContact CG2-CE1 4.41Å; V149-F201 HydrophobicContact CG2-CG 4.18Å; V149-K208 VanDerWaalsContact O-CD 3.22Å; V149-K208 WeakPolarHBondContact O-CD 3.4Å; V149-K208 WeakPolarHBondContact O-CE 3.38Å; V149-K208 PolarHBondContact O-NZ 3.37Å; V149-I211 HydrophobicContact CG1-CG1 4.48Å; V149-I211 HydrophobicContact CG1-CG2 4.14Å
150G87.9Confident92.4Very high6 Ų617.5 Ų17.56%0.06211%0.114CC..  trans-82.5166.3172.700000113.8D152 G153 H154G150-D152 PolarHBondContact O-N 3.13Å; G150-G153 WeakPolarHBondContact O-CA 3.4Å; G150-G153 PolarHBondContact O-N 3.46Å; G150-H154 VanDerWaalsContact CA-CE1 3.45Å; G150-H154 WeakPolarHBondContact CA-CE1 3.45Å; G150-H154 WeakPolarHBondContact CA-ND1 3.3Å; G150-H154 PolarHBondContact N-O 2.92Å
151P84.7Confident92Very high71 Ų7121.2 Ų21.246%0.46115%0.153SC..THydrogen-bonded Turntrans-63-28.2-179.926.3-34.9000113.7G153 H210P151-G153 VanDerWaalsContact C-N 3.32Å; P151-H210 PolarHBondContact O-NE2 3.05Å
152D86.9Confident92Very high60 Ų6021.4 Ų21.432%0.32115%0.153SC..THydrogen-bonded Turntrans-80-7.1171.952.6-17.8000113.6G150 H154 P160 K180G150-D152 PolarHBondContact O-N 3.13Å; D152-H154 IonicContact OD1-CE1 3.38Å; D152-H154 IonicContact OD1-CG 2.69Å; D152-H154 IonicContact OD1-ND1 3.43Å; D152-H154 PolarHBondContact OD1-ND1 3.38Å; D152-H154 IonicContact OD2-CG 3.49Å; D152-H154 IonicContact OD2-ND1 2.66Å; D152-H154 PolarHBondContact OD2-ND1 3.35Å; D152-P160 WeakPolarHBondContact O-CG 3.38Å; D152-K180 IonicContact OD1-NZ 2.87Å; D152-K180 PolarHBondContact OD1-NZ 2.97Å; D152-K180 WeakPolarHBondContact OD2-CE 3.47Å; D152-K180 IonicContact OD2-NZ 2.89Å; D152-K180 PolarHBondContact OD2-NZ 3.25Å
153G86.5Confident91.9Very high32 Ų3226.3 Ų26.333%0.3319%0.185SC..SBendtrans89.53.6-179.800000115.4G150 P151G150-G153 WeakPolarHBondContact O-CA 3.4Å; G150-G153 PolarHBondContact O-N 3.46Å; P151-G153 VanDerWaalsContact C-N 3.32Å
154H92Very high92Very high26 Ų2626.5 Ų26.512%0.1219%0.185CC..  trans-64.7149.6171.985.1-73.3000110.9V149 G150 D152 C156 L158 F159 K180V149-H154 WeakPolarHBondContact CA-O 3.48Å; G150-H154 VanDerWaalsContact CA-CE1 3.45Å; G150-H154 WeakPolarHBondContact CA-CE1 3.45Å; G150-H154 WeakPolarHBondContact CA-ND1 3.3Å; G150-H154 PolarHBondContact N-O 2.92Å; D152-H154 IonicContact OD1-CE1 3.38Å; D152-H154 IonicContact OD1-CG 2.69Å; D152-H154 IonicContact OD1-ND1 3.43Å; D152-H154 PolarHBondContact OD1-ND1 3.38Å; D152-H154 IonicContact OD2-CG 3.49Å; D152-H154 IonicContact OD2-ND1 2.66Å; D152-H154 PolarHBondContact OD2-ND1 3.35Å; H154-C156 PolarHBondContact CD2-O 3.15Å; H154-L158 WeakPolarHBondContact CA-O 3.31Å; H154-L158 VanDerWaalsContact CB-O 3.26Å; H154-L158 WeakPolarHBondContact CB-O 3.34Å; H154-F159 HydrophobicContact CB-CD1 3.72Å; H154-F159 HydrophobicContact CB-CE1 4.15Å; H154-F159 HydrophobicContact CB-CG 4.31Å; H154-F159 AromaticContact CD2-CE1 3.61Å; H154-F159 AromaticContact CG-CD1 3.83Å; H154-F159 AromaticContact CG-CE1 3.74Å; H154-K180 PolarHBondContact CE1-NZ 2.98Å; H154-K180 PolarHBondContact ND1-NZ 2.95Å; H154-K180 VanDerWaalsContact ND1-NZ 3.15Å
155T93.2Very high91.9Very high14 Ų1428.8 Ų28.89%0.08620%0.197CC..BIsolated β-bridgetrans-131153.3167.2-178.40000108.3G148 S157 L158 F201G148-T155 WeakPolarHBondContact O-CA 3.4Å; G148-T155 PolarHBondContact O-OG1 3.42Å; T155-S157 PolarHBondContact O-N 3.43Å; T155-L158 WeakPolarHBondContact O-CB 3.5Å; T155-L158 PolarHBondContact O-N 2.93Å; T155-F201 HydrophobicContact CG2-CE1 4.21Å
156C95.7Very high91.8Very high5 Ų535.1 Ų35.13%0.03423%0.227CC..THydrogen-bonded Turntrans49.7-133.2-167.1-51.10000108.2D75 H154 L158 T187D75-C156 HydrophobicContact CB-CB 4.04Å; D75-C156 VanDerWaalsContact CG-C 3.42Å; H154-C156 PolarHBondContact CD2-O 3.15Å; C156-L158 HydrophobicContact CB-CG 4.44Å; C156-T187 VanDerWaalsContact CB-OG1 3.24Å; C156-T187 WeakPolarHBondContact CB-OG1 3.43Å
157S96.8Very high91.7Very high0 Ų036.4 Ų36.40%023%0.233CC..THydrogen-bonded Turntrans-108.837.1164.2-68.90000113D75 T155 F159 I175 R185 T187D75-S157 PolarHBondContact OD2-N 3.05Å; D75-S157 PolarHBondContact OD2-OG 3.23Å; T155-S157 PolarHBondContact O-N 3.43Å; S157-F159 VanDerWaalsContact O-CD2 3.23Å; S157-F159 WeakPolarHBondContact O-CD2 3.27Å; S157-F159 VanDerWaalsContact O-CE2 3.32Å; S157-F159 WeakPolarHBondContact O-CE2 3.22Å; S157-I175 WeakPolarHBondContact O-CD1 3.42Å; S157-R185 WeakPolarHBondContact OG-CD 3.32Å; S157-R185 PolarHBondContact OG-NH1 3.38Å; S157-R185 VanDerWaalsContact OG-NH1 3.12Å; S157-T187 PolarHBondContact N-OG1 3.37Å; S157-T187 VanDerWaalsContact N-OG1 3.13Å
158L95.3Very high91.6Very high5 Ų543 Ų433%0.02626%0.262CS..BIsolated β-bridgetrans-97.597177.2-57.8172.6000110.4H154 T155 C156 L164 L165 T187 L190 I193H154-L158 WeakPolarHBondContact CA-O 3.31Å; H154-L158 VanDerWaalsContact CB-O 3.26Å; H154-L158 WeakPolarHBondContact CB-O 3.34Å; T155-L158 WeakPolarHBondContact O-CB 3.5Å; T155-L158 PolarHBondContact O-N 2.93Å; C156-L158 HydrophobicContact CB-CG 4.44Å; L158-L164 HydrophobicContact CD2-CB 4.39Å; L158-L164 HydrophobicContact CD2-CD2 3.64Å; L158-L164 HydrophobicContact CD2-CG 3.72Å; L158-L165 HydrophobicContact CB-CD2 3.94Å; L158-T187 HydrophobicContact CD2-CG2 4.27Å; L158-L190 HydrophobicContact CD1-CD2 3.66Å; L158-L190 HydrophobicContact CD1-CG 3.92Å; L158-I193 HydrophobicContact CD1-CD1 3.63Å
159F93.3Very high91.7Very high3 Ų346.5 Ų46.51%0.01328%0.284CS..  trans-88.6146.2-173.3-61.4-84.7000113.1H154 S157 G161 H162 L165 S178 P179 K180H154-F159 HydrophobicContact CB-CD1 3.72Å; H154-F159 HydrophobicContact CB-CE1 4.15Å; H154-F159 HydrophobicContact CB-CG 4.31Å; H154-F159 AromaticContact CD2-CE1 3.61Å; H154-F159 AromaticContact CG-CD1 3.83Å; H154-F159 AromaticContact CG-CE1 3.74Å; S157-F159 VanDerWaalsContact O-CD2 3.23Å; S157-F159 WeakPolarHBondContact O-CD2 3.27Å; S157-F159 VanDerWaalsContact O-CE2 3.32Å; S157-F159 WeakPolarHBondContact O-CE2 3.22Å; F159-G161 PolarHBondContact O-N 3.43Å; F159-H162 HydrophobicContact CB-CB 4.11Å; F159-H162 WeakPolarHBondContact O-CB 3.46Å; F159-H162 PolarHBondContact O-N 3Å; F159-H162 VanDerWaalsContact O-N 3.07Å; F159-L165 VanDerWaalsContact O-CD1 3.24Å; F159-L165 WeakPolarHBondContact O-CD1 3.46Å; F159-S178 WeakPolarHBondContact CE2-OG 3.38Å; F159-S178 WeakPolarHBondContact CZ-OG 3.5Å; F159-P179 HydrophobicContact CB-CG 4.31Å; F159-P179 HydrophobicContact CD1-CG 4.34Å; F159-P179 HydrophobicContact CD2-CG 4.37Å; F159-P179 HydrophobicContact CG-CG 4.08Å; F159-K180 HydrophobicContact CE1-CB 4.48Å; F159-K180 HydrophobicContact CE1-CD 3.98Å; F159-K180 HydrophobicContact CE1-CG 4.13Å
160P90.5Very high92.1Very high80 Ų8051 Ų5152%0.51930%0.3SS..THydrogen-bonded Turntrans-52.8132.2173.8-22.830.2000112.3D152 H162D152-P160 WeakPolarHBondContact O-CG 3.38Å; P160-H162 PolarHBondContact O-N 3.47Å
161G88.8Confident92.6Very high80 Ų8050.8 Ų50.883%0.82530%0.297SS*.THydrogen-bonded Turntrans74.5-2.1179.900000115.2F159F159-G161 PolarHBondContact O-N 3.43Å
162H91.6Very high93.3Very high37 Ų3747.7 Ų47.717%0.17128%0.277CS..  trans-76.5137.6179.8-169.9-89.8000111.3F159 P160 L164 L165F159-H162 HydrophobicContact CB-CB 4.11Å; F159-H162 WeakPolarHBondContact O-CB 3.46Å; F159-H162 PolarHBondContact O-N 3Å; F159-H162 VanDerWaalsContact O-N 3.07Å; P160-H162 PolarHBondContact O-N 3.47Å; H162-L164 WeakPolarHBondContact ND1-CB 3.41Å; H162-L164 PolarHBondContact ND1-N 3Å; H162-L164 VanDerWaalsContact ND1-N 3.12Å; H162-L164 PolarHBondContact O-N 2.98Å; H162-L165 WeakPolarHBondContact O-CB 3.39Å; H162-L165 WeakPolarHBondContact O-CG 3.32Å; H162-L165 PolarHBondContact O-N 2.91Å
163P93.3Very high93.8Very high104 Ų10444.8 Ų44.868%0.67526%0.261SS*.G310 helixtrans-55.7-26.2-178.7-28.135.2000114.8L165 E166P163-L165 PolarHBondContact O-N 2.77Å; P163-L165 VanDerWaalsContact O-N 3.17Å; P163-E166 WeakPolarHBondContact O-CB 3.34Å; P163-E166 PolarHBondContact O-N 3.39Å
164L93.7Very high94.4Very high10 Ų1044.7 Ų44.75%0.05225%0.254CS..G310 helixtrans-62.7-18.7177.1-169.460.2000113.7L158 H162 E166 E167 A173 I175 T187 T189L158-L164 HydrophobicContact CD2-CB 4.39Å; L158-L164 HydrophobicContact CD2-CD2 3.64Å; L158-L164 HydrophobicContact CD2-CG 3.72Å; H162-L164 WeakPolarHBondContact ND1-CB 3.41Å; H162-L164 PolarHBondContact ND1-N 3Å; H162-L164 VanDerWaalsContact ND1-N 3.12Å; H162-L164 PolarHBondContact O-N 2.98Å; L164-E166 PolarHBondContact O-N 3.36Å; L164-E167 HydrophobicContact CD1-CB 3.92Å; L164-E167 HydrophobicContact CD1-CG 4.31Å; L164-E167 VanDerWaalsContact O-CB 3.26Å; L164-E167 WeakPolarHBondContact O-CB 3.21Å; L164-E167 PolarHBondContact O-N 3.48Å; L164-A173 HydrophobicContact CD1-CB 3.35Å; L164-A173 HydrophobicContact CD2-CB 3.89Å; L164-A173 HydrophobicContact CG-CB 4.26Å; L164-I175 HydrophobicContact CD2-CD1 3.94Å; L164-I175 HydrophobicContact CD2-CG1 3.87Å; L164-T187 HydrophobicContact CD2-CG2 3.56Å; L164-T189 HydrophobicContact CD1-CG2 4.47Å
165L92.2Very high94.6Very high48 Ų4843.6 Ų43.625%0.25125%0.249SC..G310 helixtrans-65.4-19.9170.2-65.9175.5000112.5L158 F159 H162 P163 L190L158-L165 HydrophobicContact CB-CD2 3.94Å; F159-L165 VanDerWaalsContact O-CD1 3.24Å; F159-L165 WeakPolarHBondContact O-CD1 3.46Å; H162-L165 WeakPolarHBondContact O-CB 3.39Å; H162-L165 WeakPolarHBondContact O-CG 3.32Å; H162-L165 PolarHBondContact O-N 2.91Å; P163-L165 PolarHBondContact O-N 2.77Å; P163-L165 VanDerWaalsContact O-N 3.17Å; L165-L190 HydrophobicContact CB-CD1 4.45Å; L165-L190 HydrophobicContact CD2-CD1 3.99Å; L165-L190 HydrophobicContact CD2-CG 4.47Å; L165-L190 WeakPolarHBondContact O-CD1 3.24Å
166E93.5Very high94.7Very high133 Ų13348.3 Ų48.362%0.62127%0.269SS*.G310 helixtrans-89.4-0.9175.8-61-52.515000114.1P163 L164 K168P163-E166 WeakPolarHBondContact O-CB 3.34Å; P163-E166 PolarHBondContact O-N 3.39Å; L164-E166 PolarHBondContact O-N 3.36Å; E166-K168 WeakPolarHBondContact O-CD 2.77Å; E166-K168 WeakPolarHBondContact O-CE 3.06Å; E166-K168 WeakPolarHBondContact O-CG 3.48Å; E166-K168 PolarHBondContact O-N 2.98Å; E166-K168 IonicContact OE2-NZ 2.74Å; E166-K168 PolarHBondContact OE2-NZ 3.46Å
167E94.7Very high94.6Very high28 Ų2853.5 Ų53.513%0.13130%0.296CS..  trans-62.8129.7175.8179.553-113.300111.8L164 S169 R170 T189 P191L164-E167 HydrophobicContact CD1-CB 3.92Å; L164-E167 HydrophobicContact CD1-CG 4.31Å; L164-E167 VanDerWaalsContact O-CB 3.26Å; L164-E167 WeakPolarHBondContact O-CB 3.21Å; L164-E167 PolarHBondContact O-N 3.48Å; E167-S169 PolarHBondContact OE1-N 2.78Å; E167-S169 PolarHBondContact OE1-OG 2.9Å; E167-R170 HydrophobicContact CG-CB 4.05Å; E167-R170 PolarHBondContact OE1-N 2.9Å; E167-R170 IonicContact OE2-CZ 2.72Å; E167-R170 IonicContact OE2-NE 3.14Å; E167-R170 PolarHBondContact OE2-NE 3.25Å; E167-R170 IonicContact OE2-NH2 3.46Å; E167-R170 PolarHBondContact OE2-NH2 3.04Å; E167-T189 HydrophobicContact CG-CG2 3.9Å; E167-P191 WeakPolarHBondContact O-CD 3.21Å; E167-P191 WeakPolarHBondContact O-CG 3.45Å
168K92.5Very high94.5Very high139 Ų13953.8 Ų53.860%0.60430%0.299SS*.  trans-119.5-13.4-175.2-51.4-53.9178.3-158.90114.4E166 P191E166-K168 WeakPolarHBondContact O-CD 2.77Å; E166-K168 WeakPolarHBondContact O-CE 3.06Å; E166-K168 WeakPolarHBondContact O-CG 3.48Å; E166-K168 PolarHBondContact O-N 2.98Å; E166-K168 IonicContact OE2-NZ 2.74Å; E166-K168 PolarHBondContact OE2-NZ 3.46Å; K168-P191 VanDerWaalsContact C-CG 3.48Å; K168-P191 WeakPolarHBondContact O-CG 3.29Å
169S94Very high94.3Very high84 Ų8458.1 Ų58.159%0.58733%0.327SS*.SBendtrans-127.1-42.9-170.265.20000114.7E167E167-S169 PolarHBondContact OE1-N 2.78Å; E167-S169 PolarHBondContact OE1-OG 2.9Å
170R96.9Very high94.2Very high107 Ų10760.9 Ų60.940%0.40434%0.339SS..  trans-64.8145.1-177.9-70.3-175.3-72.7176.2-0.4111.1E167 T189E167-R170 HydrophobicContact CG-CB 4.05Å; E167-R170 PolarHBondContact OE1-N 2.9Å; E167-R170 IonicContact OE2-CZ 2.72Å; E167-R170 IonicContact OE2-NE 3.14Å; E167-R170 PolarHBondContact OE2-NE 3.25Å; E167-R170 IonicContact OE2-NH2 3.46Å; E167-R170 PolarHBondContact OE2-NH2 3.04Å; R170-T189 HydrophobicContact CB-CG2 4.44Å; R170-T189 WeakPolarHBondContact O-CB 3.49Å; R170-T189 WeakPolarHBondContact O-CG2 3.32Å; R170-T189 PolarHBondContact O-OG1 2.61Å
171W98.4Very high94.3Very high1 Ų164.3 Ų64.30%0.00435%0.348CS..SBendtrans-86.2-40.1173.5-653.9000111.3E124 L127 R128 V131 I133 N138 P140 L188 T189 V192E124-W171 HydrophobicContact CG-CB 4.02Å; E124-W171 HydrophobicContact CG-CE3 4.37Å; E124-W171 WeakPolarHBondContact OE2-CB 3.3Å; E124-W171 PolarHBondContact OE2-N 3.21Å; L127-W171 HydrophobicContact CD2-CE3 4.19Å; L127-W171 HydrophobicContact CG-CE3 4.49Å; R128-W171 HydrophobicContact CB-CZ3 4.32Å; R128-W171 HydrophobicContact CG-CE3 3.86Å; R128-W171 HydrophobicContact CG-CH2 3.82Å; R128-W171 HydrophobicContact CG-CZ3 3.35Å; V131-W171 HydrophobicContact CG2-CH2 4.32Å; V131-W171 HydrophobicContact CG2-CZ3 4.05Å; I133-W171 HydrophobicContact CD1-CH2 3.84Å; I133-W171 HydrophobicContact CD1-CZ2 4.43Å; I133-W171 HydrophobicContact CG1-CH2 3.91Å; I133-W171 HydrophobicContact CG2-CH2 4.22Å; I133-W171 HydrophobicContact CG2-CZ2 4.1Å; N138-W171 WeakPolarHBondContact O-CZ2 3.09Å; N138-W171 PolarHBondContact O-NE1 2.95Å; P140-W171 HydrophobicContact CB-CE3 4.15Å; P140-W171 HydrophobicContact CB-CH2 3.93Å; P140-W171 HydrophobicContact CB-CZ2 4.48Å; P140-W171 HydrophobicContact CB-CZ3 3.74Å; P140-W171 HydrophobicContact CG-CD2 4.19Å; P140-W171 HydrophobicContact CG-CE3 4.03Å; P140-W171 HydrophobicContact CG-CH2 4.38Å; P140-W171 HydrophobicContact CG-CZ3 4.13Å; W171-L188 WeakPolarHBondContact O-CA 3.31Å; W171-T189 PolarHBondContact O-N 3.14Å; W171-T189 VanDerWaalsContact O-N 3.07Å; W171-T189 PolarHBondContact O-OG1 3.08Å; W171-V192 VanDerWaalsContact CA-CG2 3.48Å; W171-V192 HydrophobicContact CB-CG2 3.61Å; W171-V192 HydrophobicContact CG-CG2 3.92Å; W171-V192 WeakPolarHBondContact O-CG2 3.36Å
172V98.8Very high94.6Very high5 Ų561.4 Ų61.43%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-124.5141.1-179.6-170.80000108.7A120 Y123 E124 V186 T187 L188A120-V172 HydrophobicContact CB-CG1 4.13Å; Y123-V172 HydrophobicContact CD1-CG1 4.08Å; Y123-V172 HydrophobicContact CD1-CG2 3.96Å; E124-V172 HydrophobicContact CB-CB 3.96Å; E124-V172 HydrophobicContact CB-CG2 3.71Å; E124-V172 HydrophobicContact CG-CG2 4.19Å; E124-V172 PolarHBondContact OE2-N 3.02Å; V172-V186 HydrophobicContact CG1-CG1 3.36Å; V172-T187 CarbonylContact C-O 3.52Å; V172-T187 VanDerWaalsContact CA-O 3.31Å; V172-T187 WeakPolarHBondContact CA-O 3.4Å; V172-L188 HydrophobicContact CG2-CD2 4.11Å
173A98.5Very high94.8Very high0 Ų061.9 Ų61.90%032%0.321CS..EExtended strand (participates in β ladder)trans-134.1146.617600000112.3L164 T187 T189L164-A173 HydrophobicContact CD1-CB 3.35Å; L164-A173 HydrophobicContact CD2-CB 3.89Å; L164-A173 HydrophobicContact CG-CB 4.26Å; A173-T187 PolarHBondContact N-O 3.03Å; A173-T187 PolarHBondContact O-N 3.22Å; A173-T189 HydrophobicContact CB-CG2 3.86Å
174P98.3Very high95Very high29 Ų2960 Ų6019%0.18830%0.303CS..EExtended strand (participates in β ladder)trans-79.6153.2167.734.2-33.8000110.9V116 D117 A120 R185V116-P174 HydrophobicContact CG1-CB 4.24Å; V116-P174 HydrophobicContact CG2-CB 3.89Å; V116-P174 WeakPolarHBondContact O-CB 3.28Å; D117-P174 WeakPolarHBondContact OD1-CG 3.3Å; A120-P174 HydrophobicContact CB-CB 3.98Å; A120-P174 HydrophobicContact CB-CG 4.25Å; P174-R185 CarbonylContact C-O 3.52Å; P174-R185 WeakPolarHBondContact CA-O 3.27Å
175I97.1Very high95.3Very high3 Ų359.7 Ų59.72%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-130131.3166.4-61165.6000105.9S157 L164 E184 R185 T187S157-I175 WeakPolarHBondContact O-CD1 3.42Å; L164-I175 HydrophobicContact CD2-CD1 3.94Å; L164-I175 HydrophobicContact CD2-CG1 3.87Å; I175-E184 CarbonylContact O-C 3.57Å; I175-E184 WeakPolarHBondContact O-CA 3.44Å; I175-R185 HydrophobicContact CB-CB 4.28Å; I175-R185 PolarHBondContact N-O 2.95Å; I175-R185 PolarHBondContact O-N 2.74Å; I175-T187 HydrophobicContact CD1-CG2 3.83Å; I175-T187 HydrophobicContact CG1-CG2 4.39Å
176K96Very high95.6Very high113 Ų11357.5 Ų57.549%0.49129%0.29SS..SBendtrans-104.7-20.6-178.6-72.7177.6-178.9-173.10113V116 D117 P183V116-K176 HydrophobicContact CG1-CD 4.31Å; V116-K176 HydrophobicContact CG1-CG 3.55Å; D117-K176 VanDerWaalsContact CG-CE 3.43Å; D117-K176 VanDerWaalsContact OD1-CE 3.25Å; D117-K176 WeakPolarHBondContact OD1-CE 3.49Å; D117-K176 IonicContact OD1-NZ 2.94Å; D117-K176 WeakPolarHBondContact OD2-CE 3.43Å; D117-K176 IonicContact OD2-NZ 2.75Å; D117-K176 PolarHBondContact OD2-NZ 3.14Å; K176-P183 CarbonylContact C-O 3.45Å
177D93.1Very high95.8Very high114 Ų11451.2 Ų51.261%0.6126%0.261SS*.SBendtrans-134.642.8-166.260.3-29.1000110.6
178S93.5Very high96Very high7 Ų750 Ų505%0.04926%0.255CS..  trans-53.4134.5178.9-179.10000110.6F159 K180 P183 R185F159-S178 WeakPolarHBondContact CE2-OG 3.38Å; F159-S178 WeakPolarHBondContact CZ-OG 3.5Å; S178-K180 WeakPolarHBondContact CB-O 3.31Å; S178-K180 PolarHBondContact O-N 3.29Å; S178-K180 PolarHBondContact OG-N 2.92Å; S178-K180 PolarHBondContact OG-O 3.49Å; S178-P183 WeakPolarHBondContact CB-O 3.48Å; S178-P183 PolarHBondContact N-O 2.84Å; S178-R185 PolarHBondContact OG-NE 3.07Å; S178-R185 VanDerWaalsContact OG-NE 3.11Å
179P91.7Very high96.2Very high95 Ų9543.3 Ų43.362%0.61723%0.226SC*.SBendtrans-59-10.7174.1-24.733.8000114.1F159F159-P179 HydrophobicContact CB-CG 4.31Å; F159-P179 HydrophobicContact CD1-CG 4.34Å; F159-P179 HydrophobicContact CD2-CG 4.37Å; F159-P179 HydrophobicContact CG-CG 4.08Å
180K91.9Very high96.3Very high62 Ų6240.8 Ų40.827%0.2721%0.205SC..SBendtrans-124.8137.6178.5-66.3-175-172.1168.90110.1D152 H154 F159 S178 P182 R185D152-K180 IonicContact OD1-NZ 2.87Å; D152-K180 PolarHBondContact OD1-NZ 2.97Å; D152-K180 WeakPolarHBondContact OD2-CE 3.47Å; D152-K180 IonicContact OD2-NZ 2.89Å; D152-K180 PolarHBondContact OD2-NZ 3.25Å; H154-K180 PolarHBondContact CE1-NZ 2.98Å; H154-K180 PolarHBondContact ND1-NZ 2.95Å; H154-K180 VanDerWaalsContact ND1-NZ 3.15Å; F159-K180 HydrophobicContact CE1-CB 4.48Å; F159-K180 HydrophobicContact CE1-CD 3.98Å; F159-K180 HydrophobicContact CE1-CG 4.13Å; S178-K180 WeakPolarHBondContact CB-O 3.31Å; S178-K180 PolarHBondContact O-N 3.29Å; S178-K180 PolarHBondContact OG-N 2.92Å; S178-K180 PolarHBondContact OG-O 3.49Å; K180-P182 CarbonylContact O-C 3.55Å; K180-R185 VanDerWaalsContact CB-NH2 3.25Å; K180-R185 PolarHBondContact O-NH2 2.84Å
181Q91.9Very high96.1Very high151 Ų15136.3 Ų36.371%0.70619%0.19SC*.SBendtrans-64.3149.4174.6-65.9-63.6-40.700112.2R185Q181-R185 PolarHBondContact O-NH2 3.41Å
182P95.3Very high96Very high19 Ų1936.2 Ų36.212%0.12319%0.19CC..SBendcis-64152.3-18.2-19.333.4000112.4R77 V79 N85 K180 R185R77-P182 HydrophobicContact CB-CG 4.27Å; R77-P182 HydrophobicContact CG-CG 4.32Å; V79-P182 HydrophobicContact CG1-CB 4.16Å; V79-P182 HydrophobicContact CG1-CG 3.9Å; N85-P182 HydrophobicContact CB-CG 3.89Å; K180-P182 CarbonylContact O-C 3.55Å; P182-R185 PolarHBondContact O-NE 3.16Å
183P95.6Very high95.8Very high47 Ų4736 Ų3631%0.30519%0.189SC..SBendtrans-74.4-33.5-170.331.5-35.4000112.5K176 S178K176-P183 CarbonylContact C-O 3.45Å; S178-P183 WeakPolarHBondContact CB-O 3.48Å; S178-P183 PolarHBondContact N-O 2.84Å
184E98.4Very high95.5Very high64 Ų6440.1 Ų40.130%0.29921%0.208SC..  trans-85.3125.7-179.8-65-165.9132.700111.8K78 V116 I175K78-E184 HydrophobicContact CB-CB 3.8Å; K78-E184 PolarHBondContact N-O 2.88Å; K78-E184 IonicContact NZ-OE2 2.65Å; V116-E184 HydrophobicContact CB-CB 4.25Å; V116-E184 HydrophobicContact CB-CG 4.45Å; V116-E184 HydrophobicContact CG1-CG 4.42Å; V116-E184 HydrophobicContact CG2-CB 4.17Å; I175-E184 CarbonylContact O-C 3.57Å; I175-E184 WeakPolarHBondContact O-CA 3.44Å
185R98.4Very high95.1Very high4 Ų441.8 Ų41.82%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-144.5153.7-177.5-50.3-170.2179.7-158.5-2.7112.1E76 V116 S157 P174 I175 S178 K180 Q181 P182E76-R185 CarbonylContact O-C 3.58Å; E76-R185 VanDerWaalsContact O-CA 3.3Å; E76-R185 WeakPolarHBondContact O-CA 3.42Å; V116-R185 VanDerWaalsContact CG2-O 3.32Å; V116-R185 WeakPolarHBondContact CG2-O 3.38Å; S157-R185 WeakPolarHBondContact OG-CD 3.32Å; S157-R185 PolarHBondContact OG-NH1 3.38Å; S157-R185 VanDerWaalsContact OG-NH1 3.12Å; P174-R185 CarbonylContact C-O 3.52Å; P174-R185 WeakPolarHBondContact CA-O 3.27Å; I175-R185 HydrophobicContact CB-CB 4.28Å; I175-R185 PolarHBondContact N-O 2.95Å; I175-R185 PolarHBondContact O-N 2.74Å; S178-R185 PolarHBondContact OG-NE 3.07Å; S178-R185 VanDerWaalsContact OG-NE 3.11Å; K180-R185 VanDerWaalsContact CB-NH2 3.25Å; K180-R185 PolarHBondContact O-NH2 2.84Å; Q181-R185 PolarHBondContact O-NH2 3.41Å; P182-R185 PolarHBondContact O-NE 3.16Å
186V98.7Very high94.8Very high3 Ų341.7 Ų41.72%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-115.9129.6170177.20000107.5D75 E76 I110 V116 C119 A120 Y123 V172D75-V186 CarbonylContact C-O 3.57Å; D75-V186 WeakPolarHBondContact CA-O 3.38Å; E76-V186 PolarHBondContact N-O 3.24Å; E76-V186 PolarHBondContact O-N 3.32Å; I110-V186 HydrophobicContact CG2-CB 4.22Å; I110-V186 HydrophobicContact CG2-CG1 4.16Å; V116-V186 HydrophobicContact CG2-CG2 4.2Å; C119-V186 HydrophobicContact CB-CG2 4.08Å; A120-V186 HydrophobicContact CB-CG1 4.09Å; A120-V186 HydrophobicContact CB-CG2 4.28Å; Y123-V186 HydrophobicContact CD1-CG1 4.44Å; V172-V186 HydrophobicContact CG1-CG1 3.36Å
187T98.7Very high94.5Very high1 Ų141.4 Ų41.41%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-139.7146.3-174-172.60000112.6C156 S157 L158 L164 V172 A173 I175C156-T187 VanDerWaalsContact CB-OG1 3.24Å; C156-T187 WeakPolarHBondContact CB-OG1 3.43Å; S157-T187 PolarHBondContact N-OG1 3.37Å; S157-T187 VanDerWaalsContact N-OG1 3.13Å; L158-T187 HydrophobicContact CD2-CG2 4.27Å; L164-T187 HydrophobicContact CD2-CG2 3.56Å; V172-T187 CarbonylContact C-O 3.52Å; V172-T187 VanDerWaalsContact CA-O 3.31Å; V172-T187 WeakPolarHBondContact CA-O 3.4Å; A173-T187 PolarHBondContact N-O 3.03Å; A173-T187 PolarHBondContact O-N 3.22Å; I175-T187 HydrophobicContact CD1-CG2 3.83Å; I175-T187 HydrophobicContact CG1-CG2 4.39Å
188L98.7Very high94.4Very high1 Ų136.7 Ų36.71%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-64.1146.1159.5-61.6-175.6000109.7I72 C74 L127 L145 W171 V172 V192I72-L188 HydrophobicContact CD1-CD1 4.22Å; C74-L188 HydrophobicContact CB-CD1 4.38Å; C74-L188 WeakPolarHBondContact O-CB 3.33Å; C74-L188 WeakPolarHBondContact O-CG 3.47Å; C74-L188 PolarHBondContact O-N 3.13Å; L127-L188 HydrophobicContact CD2-CD2 4.22Å; L145-L188 HydrophobicContact CD2-CD1 4.17Å; W171-L188 WeakPolarHBondContact O-CA 3.31Å; V172-L188 HydrophobicContact CG2-CD2 4.11Å; L188-V192 HydrophobicContact CB-CG1 4.46Å; L188-V192 HydrophobicContact CD1-CG1 4.02Å; L188-V192 HydrophobicContact CD2-CG1 4.32Å
189T97.2Very high94.3Very high0 Ų036.4 Ų36.40%019%0.187CC..  trans-96.7167.9-178.364.30000111.6L164 E167 R170 W171 A173 P191 V192 I193L164-T189 HydrophobicContact CD1-CG2 4.47Å; E167-T189 HydrophobicContact CG-CG2 3.9Å; R170-T189 HydrophobicContact CB-CG2 4.44Å; R170-T189 WeakPolarHBondContact O-CB 3.49Å; R170-T189 WeakPolarHBondContact O-CG2 3.32Å; R170-T189 PolarHBondContact O-OG1 2.61Å; W171-T189 PolarHBondContact O-N 3.14Å; W171-T189 VanDerWaalsContact O-N 3.07Å; W171-T189 PolarHBondContact O-OG1 3.08Å; A173-T189 HydrophobicContact CB-CG2 3.86Å; T189-P191 WeakPolarHBondContact OG1-CD 3.19Å; T189-V192 PolarHBondContact O-N 3.25Å; T189-I193 WeakPolarHBondContact O-CG1 3.45Å; T189-I193 PolarHBondContact O-N 2.65Å
190L94.8Very high94.3Very high30 Ų3031.9 Ų31.916%0.15716%0.158CC..Hα-helixtrans-56.9-40.9176.4-69.2-179.2000113.9L158 L165 V192 I193 H194L158-L190 HydrophobicContact CD1-CD2 3.66Å; L158-L190 HydrophobicContact CD1-CG 3.92Å; L165-L190 HydrophobicContact CB-CD1 4.45Å; L165-L190 HydrophobicContact CD2-CD1 3.99Å; L165-L190 HydrophobicContact CD2-CG 4.47Å; L165-L190 WeakPolarHBondContact O-CD1 3.24Å; L190-V192 VanDerWaalsContact C-N 3.28Å; L190-V192 PolarHBondContact O-N 3.47Å; L190-I193 HydrophobicContact CD2-CD1 4.38Å; L190-I193 PolarHBondContact O-N 3.23Å; L190-I193 VanDerWaalsContact O-N 3.16Å; L190-H194 WeakPolarHBondContact O-CB 3.3Å; L190-H194 PolarHBondContact O-N 3.36Å; L190-H194 PolarHBondContact O-ND1 2.99Å
191P93.9Very high94.2Very high13 Ų1329.3 Ų29.38%0.08415%0.147CC..Hα-helixtrans-50.3-44173.3-31.435.1000114M139 E167 K168 T189 N195M139-P191 HydrophobicContact CE-CB 3.78Å; M139-P191 HydrophobicContact SD-CB 3.94Å; E167-P191 WeakPolarHBondContact O-CD 3.21Å; E167-P191 WeakPolarHBondContact O-CG 3.45Å; K168-P191 VanDerWaalsContact C-CG 3.48Å; K168-P191 WeakPolarHBondContact O-CG 3.29Å; T189-P191 WeakPolarHBondContact OG1-CD 3.19Å; P191-N195 WeakPolarHBondContact O-CB 3.49Å; P191-N195 PolarHBondContact O-N 3.41Å; P191-N195 VanDerWaalsContact O-N 3.16Å; P191-N195 PolarHBondContact O-ND2 3.27Å
192V96.5Very high94Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-68.3-45.2178.2175.10000111.2M139 P140 I142 W171 L188 T189 L190 H194 N195 A196M139-V192 HydrophobicContact SD-CG2 4.46Å; P140-V192 HydrophobicContact CG-CG1 3.87Å; P140-V192 HydrophobicContact CG-CG2 4.14Å; I142-V192 HydrophobicContact CD1-CG1 3.4Å; I142-V192 VanDerWaalsContact CD1-CG1 3.4Å; W171-V192 VanDerWaalsContact CA-CG2 3.48Å; W171-V192 HydrophobicContact CB-CG2 3.61Å; W171-V192 HydrophobicContact CG-CG2 3.92Å; W171-V192 WeakPolarHBondContact O-CG2 3.36Å; L188-V192 HydrophobicContact CB-CG1 4.46Å; L188-V192 HydrophobicContact CD1-CG1 4.02Å; L188-V192 HydrophobicContact CD2-CG1 4.32Å; T189-V192 PolarHBondContact O-N 3.25Å; L190-V192 VanDerWaalsContact C-N 3.28Å; L190-V192 PolarHBondContact O-N 3.47Å; V192-H194 VanDerWaalsContact C-N 3.31Å; V192-H194 PolarHBondContact O-N 2.73Å; V192-N195 PolarHBondContact O-N 3.44Å; V192-N195 VanDerWaalsContact O-N 3.14Å; V192-A196 PolarHBondContact O-N 3Å
193I94.6Very high93.4Very high1 Ų121.3 Ų21.31%0.00511%0.108CC..Hα-helixtrans-61.7-41.7179.4-62.7166.2000110.8L145 L147 L158 T189 L190 N195 A196 V199 K224L145-I193 HydrophobicContact CD1-CB 4.23Å; L145-I193 HydrophobicContact CD1-CG1 3.99Å; L145-I193 HydrophobicContact CD1-CG2 4.39Å; L147-I193 HydrophobicContact CD1-CD1 4.45Å; L147-I193 HydrophobicContact CD1-CG1 4.42Å; L147-I193 HydrophobicContact CD1-CG2 3.9Å; L158-I193 HydrophobicContact CD1-CD1 3.63Å; T189-I193 WeakPolarHBondContact O-CG1 3.45Å; T189-I193 PolarHBondContact O-N 2.65Å; L190-I193 HydrophobicContact CD2-CD1 4.38Å; L190-I193 PolarHBondContact O-N 3.23Å; L190-I193 VanDerWaalsContact O-N 3.16Å; I193-N195 VanDerWaalsContact C-N 3.28Å; I193-N195 PolarHBondContact O-N 3.31Å; I193-A196 PolarHBondContact O-N 2.81Å; I193-V199 HydrophobicContact CG2-CG1 4.45Å; I193-V199 HydrophobicContact CG2-CG2 4.31Å; I193-V199 WeakPolarHBondContact O-CG2 3.22Å; I193-K224 PolarHBondContact O-NZ 3.18Å
194H90.5Very high92.5Very high86 Ų8619.6 Ų19.640%0.39810%0.097SC..Hα-helixtrans-68.3-24.4177.8-67.4165.7000113.2L190 V192 K224L190-H194 WeakPolarHBondContact O-CB 3.3Å; L190-H194 PolarHBondContact O-N 3.36Å; L190-H194 PolarHBondContact O-ND1 2.99Å; V192-H194 VanDerWaalsContact C-N 3.31Å; V192-H194 PolarHBondContact O-N 2.73Å; H194-K224 VanDerWaalsContact C-NZ 3.25Å; H194-K224 PolarHBondContact O-NZ 3.03Å
195N90.6Very high91.2Very high63 Ų6317 Ų1734%0.3379%0.087SC..Hα-helixtrans-100.3-4.8179.5-75-83.7000114.4M139 P191 V192 I193M139-N195 HydrophobicContact CB-CB 3.59Å; M139-N195 HydrophobicContact CG-CB 3.9Å; P191-N195 WeakPolarHBondContact O-CB 3.49Å; P191-N195 PolarHBondContact O-N 3.41Å; P191-N195 VanDerWaalsContact O-N 3.16Å; P191-N195 PolarHBondContact O-ND2 3.27Å; V192-N195 PolarHBondContact O-N 3.44Å; V192-N195 VanDerWaalsContact O-N 3.14Å; I193-N195 VanDerWaalsContact C-N 3.28Å; I193-N195 PolarHBondContact O-N 3.31Å
196A91.5Very high89.7Confident2 Ų219.7 Ų19.72%0.01711%0.11CC..SBendtrans-62.6139.3170.300000111.2I142 L145 V192 I193 C198 V199 K224I142-A196 HydrophobicContact CB-CB 4.11Å; I142-A196 HydrophobicContact CG2-CB 4.29Å; L145-A196 HydrophobicContact CD1-CB 3.63Å; L145-A196 HydrophobicContact CG-CB 3.76Å; V192-A196 PolarHBondContact O-N 3Å; I193-A196 PolarHBondContact O-N 2.81Å; A196-C198 VanDerWaalsContact C-N 3.31Å; A196-C198 PolarHBondContact O-N 2.95Å; A196-V199 HydrophobicContact CB-CG2 4.01Å; A196-K224 PolarHBondContact O-NZ 3.04Å
197K90Very high88.3Confident107 Ų10723.4 Ų23.447%0.46514%0.137SC..SBendtrans-60.5-40.6-179-70.9-174.2165.6-150.70112.4E27 I142E27-K197 IonicContact OE1-NZ 2.97Å; I142-K197 WeakPolarHBondContact O-CB 3.44Å; I142-K197 WeakPolarHBondContact O-CG 3.46Å; I142-K197 PolarHBondContact O-N 3.25Å
198C90.1Very high87Confident15 Ų1525 Ų2510%0.10114%0.143CC..  trans-135.6136.8176.8-173.70000109.6S143 V144 L145 A196S143-C198 WeakPolarHBondContact O-CB 3.23Å; S143-C198 PolarHBondContact O-N 3.47Å; V144-C198 CarbonylContact C-O 3.46Å; V144-C198 VanDerWaalsContact CA-O 3.28Å; V144-C198 WeakPolarHBondContact CA-O 3.49Å; V144-C198 HydrophobicContact CB-CB 4.13Å; V144-C198 HydrophobicContact CG2-CB 4.15Å; L145-C198 PolarHBondContact N-O 3.1Å; A196-C198 VanDerWaalsContact C-N 3.31Å; A196-C198 PolarHBondContact O-N 2.95Å
199V90.8Very high85.7Confident0 Ų026.5 Ų26.50%015%0.154CC..EExtended strand (participates in β ladder)trans-124.4121.8172.7-178.90000107.8L145 L147 I193 A196 F201 Y226 I227L145-V199 HydrophobicContact CB-CG2 4.5Å; L145-V199 HydrophobicContact CD1-CG2 4.45Å; L147-V199 HydrophobicContact CD1-CG1 3.6Å; L147-V199 HydrophobicContact CG-CG1 4.15Å; I193-V199 HydrophobicContact CG2-CG1 4.45Å; I193-V199 HydrophobicContact CG2-CG2 4.31Å; I193-V199 WeakPolarHBondContact O-CG2 3.22Å; A196-V199 HydrophobicContact CB-CG2 4.01Å; V199-F201 HydrophobicContact CG1-CD2 4.18Å; V199-F201 HydrophobicContact CG1-CE2 3.72Å; V199-F201 HydrophobicContact CG1-CZ 3.92Å; V199-Y226 HydrophobicContact CB-CD1 4.06Å; V199-Y226 HydrophobicContact CB-CE1 4.32Å; V199-Y226 HydrophobicContact CG1-CD1 4.3Å; V199-I227 PolarHBondContact O-N 3Å
200I91.6Very high84.7Confident0 Ų031.3 Ų31.30%018%0.176CC..EExtended strand (participates in β ladder)trans-116.2110.9178.9-54.8177.9000107.7L16 L19 V144 L145 L146 L147 V202 I227 L229L16-I200 HydrophobicContact CD2-CG2 4.22Å; L19-I200 HydrophobicContact CB-CD1 3.78Å; L19-I200 HydrophobicContact CD1-CD1 4.07Å; L19-I200 HydrophobicContact CG-CD1 4.48Å; V144-I200 HydrophobicContact CG2-CD1 3.75Å; V144-I200 HydrophobicContact CG2-CG1 3.94Å; L145-I200 PolarHBondContact O-N 3.12Å; L146-I200 HydrophobicContact CD2-CB 3.96Å; L146-I200 HydrophobicContact CD2-CD1 3.88Å; L146-I200 HydrophobicContact CD2-CG1 4.35Å; L146-I200 HydrophobicContact CD2-CG2 4.44Å; L147-I200 PolarHBondContact N-O 3.15Å; I200-V202 HydrophobicContact CG2-CG2 4.09Å; I200-I227 CarbonylContact C-O 3.56Å; I200-I227 VanDerWaalsContact CA-O 3.32Å; I200-I227 WeakPolarHBondContact CA-O 3.46Å; I200-I227 HydrophobicContact CG1-CB 4.3Å; I200-I227 HydrophobicContact CG2-CG2 4.42Å; I200-L229 HydrophobicContact CG2-CD1 3.47Å; I200-L229 VanDerWaalsContact CG2-CD1 3.47Å; I200-L229 HydrophobicContact CG2-CG 3.78Å
201F89.6Confident83.9Confident8 Ų831 Ų314%0.03518%0.175CC..EExtended strand (participates in β ladder)trans-83.3125.5171-69.6-77.1000109.7L147 V149 T155 V199 W219 Y226 I227 F228 L229L147-F201 HydrophobicContact CB-CD1 3.65Å; L147-F201 HydrophobicContact CB-CE1 3.81Å; L147-F201 HydrophobicContact CB-CG 4.49Å; L147-F201 HydrophobicContact CD1-CD1 4.37Å; L147-F201 HydrophobicContact CD1-CE1 3.7Å; L147-F201 HydrophobicContact CD1-CZ 4.04Å; L147-F201 HydrophobicContact CG-CE1 4.39Å; L147-F201 CarbonylContact O-C 3.51Å; L147-F201 WeakPolarHBondContact O-CA 3.43Å; V149-F201 HydrophobicContact CG2-CB 4.09Å; V149-F201 HydrophobicContact CG2-CD1 3.58Å; V149-F201 HydrophobicContact CG2-CE1 4.41Å; V149-F201 HydrophobicContact CG2-CG 4.18Å; T155-F201 HydrophobicContact CG2-CE1 4.21Å; V199-F201 HydrophobicContact CG1-CD2 4.18Å; V199-F201 HydrophobicContact CG1-CE2 3.72Å; V199-F201 HydrophobicContact CG1-CZ 3.92Å; F201-W219 HydrophobicContact CZ-CH2 4.47Å; F201-Y226 AromaticContact CE2-CD1 3.83Å; F201-Y226 HydrophobicContact CE2-CD1 3.83Å; F201-Y226 HydrophobicContact CE2-CE1 4.36Å; F201-I227 PolarHBondContact N-O 3.15Å; F201-F228 HydrophobicContact CB-CD1 3.59Å; F201-F228 HydrophobicContact CB-CE1 3.85Å; F201-F228 HydrophobicContact CB-CG 4.28Å; F201-F228 AromaticContact CD2-CD1 3.94Å; F201-F228 HydrophobicContact CD2-CD1 3.94Å; F201-F228 AromaticContact CD2-CE1 3.45Å; F201-F228 HydrophobicContact CD2-CE1 3.45Å; F201-F228 VanDerWaalsContact CD2-CE1 3.45Å; F201-F228 HydrophobicContact CD2-CE2 4.18Å; F201-F228 HydrophobicContact CD2-CG 4.48Å; F201-F228 AromaticContact CD2-CZ 3.6Å; F201-F228 HydrophobicContact CD2-CZ 3.6Å; F201-F228 HydrophobicContact CE2-CE1 4.16Å; F201-F228 AromaticContact CE2-CZ 3.98Å; F201-F228 HydrophobicContact CE2-CZ 3.98Å; F201-F228 HydrophobicContact CG-CD1 4.04Å; F201-F228 AromaticContact CG-CE1 3.76Å; F201-F228 HydrophobicContact CG-CE1 3.76Å; F201-F228 HydrophobicContact CG-CZ 4.37Å; F201-L229 PolarHBondContact O-N 2.77Å
202V88.9Confident82.9Confident0 Ų030.6 Ų30.60%017%0.172CC..EExtended strand (participates in β ladder)trans-113.5112.5-179.8-177.10000108.4M12 L16 L45 L48 L147 I200 T204M12-V202 HydrophobicContact CE-CG1 3.85Å; M12-V202 HydrophobicContact SD-CG1 4.23Å; L16-V202 HydrophobicContact CD2-CG2 3.99Å; L45-V202 HydrophobicContact CD1-CB 4.02Å; L45-V202 HydrophobicContact CD1-CG1 4.05Å; L45-V202 HydrophobicContact CD2-CB 4.37Å; L45-V202 HydrophobicContact CG-CB 4.31Å; L45-V202 HydrophobicContact CG-CG1 4.36Å; L48-V202 HydrophobicContact CD2-CG1 3.7Å; L147-V202 PolarHBondContact O-N 3.05Å; I200-V202 HydrophobicContact CG2-CG2 4.09Å; V202-T204 HydrophobicContact CG1-CG2 4.36Å
203A83.5Confident81.7Confident2 Ų237.2 Ų37.22%0.01720%0.201CC..EExtended strand (participates in β ladder)trans-116.6113.1175.900000110K208 V212 L229 K230 I231A203-K208 HydrophobicContact CB-CB 4.1Å; A203-K208 HydrophobicContact CB-CD 3.96Å; A203-V212 HydrophobicContact CB-CG2 3.58Å; A203-L229 PolarHBondContact N-O 2.84Å; A203-K230 WeakPolarHBondContact O-CA 3.33Å; A203-I231 PolarHBondContact O-N 2.86Å
204T75.1Confident80.6Confident11 Ų1140.6 Ų40.67%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-103.1136.4170.673.20000110.4M12 S44 L48 V202 K208 I231 E234M12-T204 HydrophobicContact SD-CG2 4.37Å; S44-T204 WeakPolarHBondContact CB-OG1 3.43Å; S44-T204 PolarHBondContact OG-OG1 3.41Å; L48-T204 HydrophobicContact CD2-CG2 4.38Å; V202-T204 HydrophobicContact CG1-CG2 4.36Å; T204-K208 WeakPolarHBondContact O-CD 3.19Å; T204-K208 WeakPolarHBondContact O-CE 3.47Å; T204-I231 HydrophobicContact CG2-CD1 3.94Å; T204-E234 WeakPolarHBondContact CB-OE1 3.4Å; T204-E234 PolarHBondContact OG1-OE1 3.4Å; T204-E234 VanDerWaalsContact OG1-OE1 3.08Å
205G70.7Confident79.5Confident10 Ų1037.3 Ų37.310%0.10321%0.209CC..SBendtrans100.2143174.600000115S207 K208 I231G205-S207 PolarHBondContact O-N 3.27Å; G205-K208 PolarHBondContact O-N 3.48Å; G205-I231 PolarHBondContact N-O 3.24Å; G205-I231 VanDerWaalsContact N-O 3.14Å
206A68.1Low78.2Confident60 Ų6037.3 Ų37.350%0.49621%0.205SC..G310 helixtrans-59.1-31.1-176.400000113.6K208 S209 F232A206-K208 PolarHBondContact O-N 3.2Å; A206-S209 WeakPolarHBondContact O-CB 3.33Å; A206-S209 PolarHBondContact O-N 3.41Å; A206-S209 PolarHBondContact O-OG 3.45Å; A206-F232 WeakPolarHBondContact CB-O 3.42Å
207S69.2Low76.5Confident82 Ų8246.2 Ų46.257%0.57324%0.239SC*.G310 helixtrans-60.5-28.8-179.9590000112.9G205 S209 H210G205-S207 PolarHBondContact O-N 3.27Å; S207-S209 VanDerWaalsContact C-N 3.25Å; S207-S209 PolarHBondContact O-N 3.37Å; S207-H210 PolarHBondContact O-CE1 3.45Å; S207-H210 VanDerWaalsContact O-CE1 3.22Å; S207-H210 PolarHBondContact O-ND1 3.1Å
208K72.1Confident75.1Confident33 Ų3347.8 Ų47.814%0.14325%0.246CC..G310 helixtrans-83.30.5178.1-57.8-175.8-175.2-168.20113.2V149 A203 T204 G205 A206 H210 I211 V212V149-K208 VanDerWaalsContact O-CD 3.22Å; V149-K208 WeakPolarHBondContact O-CD 3.4Å; V149-K208 WeakPolarHBondContact O-CE 3.38Å; V149-K208 PolarHBondContact O-NZ 3.37Å; A203-K208 HydrophobicContact CB-CB 4.1Å; A203-K208 HydrophobicContact CB-CD 3.96Å; T204-K208 WeakPolarHBondContact O-CD 3.19Å; T204-K208 WeakPolarHBondContact O-CE 3.47Å; G205-K208 PolarHBondContact O-N 3.48Å; A206-K208 PolarHBondContact O-N 3.2Å; K208-H210 PolarHBondContact O-N 3.01Å; K208-I211 HydrophobicContact CB-CG2 4.21Å; K208-I211 VanDerWaalsContact O-CG2 3.28Å; K208-I211 WeakPolarHBondContact O-CG2 3.43Å; K208-I211 PolarHBondContact O-N 2.72Å; K208-V212 VanDerWaalsContact O-CG2 3.3Å; K208-V212 WeakPolarHBondContact O-CG2 3.16Å; K208-V212 PolarHBondContact O-N 2.96Å; K208-V212 VanDerWaalsContact O-N 3.14Å
209S70.5Confident73.4Confident34 Ų3450.2 Ų50.224%0.23825%0.253CS..Hα-helixtrans-65.6-40.1-171650000113.7A206 S207 K213 K230A206-S209 WeakPolarHBondContact O-CB 3.33Å; A206-S209 PolarHBondContact O-N 3.41Å; A206-S209 PolarHBondContact O-OG 3.45Å; S207-S209 VanDerWaalsContact C-N 3.25Å; S207-S209 PolarHBondContact O-N 3.37Å; S209-K213 WeakPolarHBondContact O-CG 3.43Å; S209-K213 PolarHBondContact O-N 3.26Å; S209-K230 VanDerWaalsContact CA-CE 3.44Å; S209-K230 PolarHBondContact O-NZ 3.17Å
210H76.4Confident71.5Confident101 Ų10153.4 Ų53.447%0.46827%0.272SS..Hα-helixtrans-69-45.6179.573.7-76000111.2P151 S207 K208 V212 K213 V214P151-H210 PolarHBondContact O-NE2 3.05Å; S207-H210 PolarHBondContact O-CE1 3.45Å; S207-H210 VanDerWaalsContact O-CE1 3.22Å; S207-H210 PolarHBondContact O-ND1 3.1Å; K208-H210 PolarHBondContact O-N 3.01Å; H210-V212 PolarHBondContact O-N 3.19Å; H210-K213 WeakPolarHBondContact O-CB 3.5Å; H210-K213 PolarHBondContact O-N 2.89Å; H210-K213 VanDerWaalsContact O-N 3.09Å; H210-V214 PolarHBondContact O-N 2.9Å
211I77.6Confident69.5Low24 Ų2459 Ų5912%0.12331%0.307CS..Hα-helixtrans-68.4-36.3-176.2-165.458.1000112.2V149 K208 K213 V214 A215V149-I211 HydrophobicContact CG1-CG1 4.48Å; V149-I211 HydrophobicContact CG1-CG2 4.14Å; K208-I211 HydrophobicContact CB-CG2 4.21Å; K208-I211 VanDerWaalsContact O-CG2 3.28Å; K208-I211 WeakPolarHBondContact O-CG2 3.43Å; K208-I211 PolarHBondContact O-N 2.72Å; I211-K213 VanDerWaalsContact C-N 3.29Å; I211-K213 PolarHBondContact O-N 3.01Å; I211-V214 PolarHBondContact O-N 3.49Å; I211-A215 VanDerWaalsContact O-CB 3.32Å; I211-A215 WeakPolarHBondContact O-CB 3.37Å; I211-A215 PolarHBondContact O-N 3.15Å
212V72.4Confident67.5Low4 Ų462.2 Ų62.22%0.02433%0.327CS..Hα-helixtrans-63.5-36.7173175.50000111.1A203 K208 H210 W216 F228 K230A203-V212 HydrophobicContact CB-CG2 3.58Å; K208-V212 VanDerWaalsContact O-CG2 3.3Å; K208-V212 WeakPolarHBondContact O-CG2 3.16Å; K208-V212 PolarHBondContact O-N 2.96Å; K208-V212 VanDerWaalsContact O-N 3.14Å; H210-V212 PolarHBondContact O-N 3.19Å; V212-W216 WeakPolarHBondContact O-CB 3.37Å; V212-W216 PolarHBondContact O-N 3.27Å; V212-F228 HydrophobicContact CG1-CD1 4.37Å; V212-K230 HydrophobicContact CB-CD 4.21Å; V212-K230 HydrophobicContact CG1-CD 3.93Å
213K71.7Confident65.5Low138 Ų13870.9 Ų70.960%0.637%0.373SS*.Hα-helixtrans-65.5-44.8175.7-72.3175.9178.2-174.80111.6S209 H210 I211 W216 Y217S209-K213 WeakPolarHBondContact O-CG 3.43Å; S209-K213 PolarHBondContact O-N 3.26Å; H210-K213 WeakPolarHBondContact O-CB 3.5Å; H210-K213 PolarHBondContact O-N 2.89Å; H210-K213 VanDerWaalsContact O-N 3.09Å; I211-K213 VanDerWaalsContact C-N 3.29Å; I211-K213 PolarHBondContact O-N 3.01Å; K213-W216 PolarHBondContact O-N 3.02Å; K213-Y217 PolarHBondContact O-N 3.44Å
214V71.5Confident64Low72 Ų7273.1 Ų73.144%0.43638%0.383SS..Hα-helixtrans-64.9-46.1178.3174.50000111.2H210 I211 K218H210-V214 PolarHBondContact O-N 2.9Å; I211-V214 PolarHBondContact O-N 3.49Å; V214-K218 PolarHBondContact O-N 2.97Å
215A68.7Low63.1Low18 Ų1878.8 Ų78.815%0.14941%0.408CS..Hα-helixtrans-61.1-50.217600000110.4I211 Y217 K218 W219 F228I211-A215 VanDerWaalsContact O-CB 3.32Å; I211-A215 WeakPolarHBondContact O-CB 3.37Å; I211-A215 PolarHBondContact O-N 3.15Å; A215-Y217 VanDerWaalsContact C-N 3.32Å; A215-Y217 PolarHBondContact O-N 2.84Å; A215-K218 PolarHBondContact O-N 2.85Å; A215-W219 WeakPolarHBondContact O-CB 3.4Å; A215-W219 PolarHBondContact O-N 2.86Å; A215-F228 HydrophobicContact CB-CE1 4.37Å
216W62Low62.4Low63 Ų6378.5 Ų78.524%0.23940%0.404CS..Hα-helixtrans-51-50.7179.1-179.2-96.1000113.1S2 I3 I4 V212 K213 K218 W219 T220 F228S2-W216 WeakPolarHBondContact O-CH2 3.43Å; I3-W216 VanDerWaalsContact C-CH2 3.48Å; I3-W216 VanDerWaalsContact N-CH2 3.34Å; I4-W216 HydrophobicContact CB-CH2 4.43Å; I4-W216 HydrophobicContact CB-CZ3 4.41Å; I4-W216 HydrophobicContact CD1-CB 4.48Å; I4-W216 HydrophobicContact CD1-CD2 3.65Å; I4-W216 HydrophobicContact CD1-CE3 3.83Å; I4-W216 HydrophobicContact CD1-CG 3.93Å; I4-W216 HydrophobicContact CD1-CH2 4.32Å; I4-W216 HydrophobicContact CD1-CZ2 4.29Å; I4-W216 HydrophobicContact CD1-CZ3 4.16Å; I4-W216 HydrophobicContact CG1-CD2 3.73Å; I4-W216 HydrophobicContact CG1-CE3 3.44Å; I4-W216 VanDerWaalsContact CG1-CE3 3.44Å; I4-W216 HydrophobicContact CG1-CH2 3.44Å; I4-W216 VanDerWaalsContact CG1-CH2 3.44Å; I4-W216 HydrophobicContact CG1-CZ2 3.85Å; I4-W216 HydrophobicContact CG1-CZ3 3.27Å; V212-W216 WeakPolarHBondContact O-CB 3.37Å; V212-W216 PolarHBondContact O-N 3.27Å; K213-W216 PolarHBondContact O-N 3.02Å; W216-K218 VanDerWaalsContact C-N 3.29Å; W216-K218 PolarHBondContact O-N 2.85Å; W216-W219 PolarHBondContact O-N 3.44Å; W216-T220 HydrophobicContact CD2-CG2 4.08Å; W216-T220 HydrophobicContact CG-CG2 4.39Å; W216-T220 HydrophobicContact CZ2-CG2 4.15Å; W216-T220 VanDerWaalsContact O-CG2 3.28Å; W216-T220 WeakPolarHBondContact O-CG2 3.43Å; W216-T220 PolarHBondContact O-N 3.43Å; W216-T220 VanDerWaalsContact O-N 3.14Å; W216-T220 PolarHBondContact O-OG1 3.24Å; W216-F228 HydrophobicContact CE3-CB 4.18Å; W216-F228 AromaticContact CE3-CD2 3.36Å; W216-F228 HydrophobicContact CE3-CD2 3.36Å; W216-F228 AromaticContact CE3-CE2 3.86Å; W216-F228 HydrophobicContact CE3-CE2 3.86Å; W216-F228 AromaticContact CE3-CG 3.91Å; W216-F228 HydrophobicContact CE3-CG 3.91Å; W216-F228 HydrophobicContact CZ3-CB 4.15Å; W216-F228 AromaticContact CZ3-CD2 3.51Å; W216-F228 HydrophobicContact CZ3-CD2 3.51Å; W216-F228 HydrophobicContact CZ3-CE2 4.27Å; W216-F228 HydrophobicContact CZ3-CG 4.17Å
217Y56.6Low62Low188 Ų18876.9 Ų76.974%0.73739%0.387SS*.Hα-helixtrans-60.2-37.3179.8-174.9-97.3000113.2K213 A215 T220K213-Y217 PolarHBondContact O-N 3.44Å; A215-Y217 VanDerWaalsContact C-N 3.32Å; A215-Y217 PolarHBondContact O-N 2.84Å; Y217-T220 PolarHBondContact O-OG1 3.28Å
218K59.1Low61.6Low141 Ų14173.2 Ų73.261%0.61336%0.361SS*.Hα-helixtrans-79.8-26.3179.5-72.7-171.7176.9-172.40113.9V214 A215 W216 T221V214-K218 PolarHBondContact O-N 2.97Å; A215-K218 PolarHBondContact O-N 2.85Å; W216-K218 VanDerWaalsContact C-N 3.29Å; W216-K218 PolarHBondContact O-N 2.85Å; K218-T221 PolarHBondContact O-OG1 2.63Å
219W54.8Low61Low65 Ų6571.8 Ų71.825%0.24635%0.354CS..Hα-helixtrans-95.5-21.2-171.8-70.961.1000112.8F201 A215 W216 T221 V222 Y226 F228F201-W219 HydrophobicContact CZ-CH2 4.47Å; A215-W219 WeakPolarHBondContact O-CB 3.4Å; A215-W219 PolarHBondContact O-N 2.86Å; W216-W219 PolarHBondContact O-N 3.44Å; W219-T221 PolarHBondContact O-N 3.45Å; W219-V222 PolarHBondContact O-N 3.21Å; W219-V222 VanDerWaalsContact O-N 3.17Å; W219-Y226 HydrophobicContact CB-CD2 4.47Å; W219-Y226 HydrophobicContact CE3-CD1 4.27Å; W219-Y226 HydrophobicContact CE3-CD2 4.02Å; W219-Y226 AromaticContact CE3-CE1 3.84Å; W219-Y226 HydrophobicContact CE3-CE1 3.84Å; W219-Y226 AromaticContact CE3-CE2 3.56Å; W219-Y226 HydrophobicContact CE3-CE2 3.56Å; W219-Y226 HydrophobicContact CE3-CG 4.35Å; W219-Y226 AromaticContact CE3-CZ 3.45Å; W219-Y226 VanDerWaalsContact CE3-CZ 3.45Å; W219-Y226 AromaticContact CZ3-CE1 3.75Å; W219-Y226 HydrophobicContact CZ3-CE1 3.75Å; W219-Y226 HydrophobicContact CZ3-CE2 4.14Å; W219-Y226 AromaticContact CZ3-CZ 3.53Å; W219-Y226 WeakPolarHBondContact CZ3-OH 3.46Å; W219-F228 HydrophobicContact CB-CZ 4.41Å; W219-F228 HydrophobicContact CG-CZ 4.42Å
220T52.2Low60.3Low67 Ų6770.4 Ų70.441%0.41134%0.344SS..THydrogen-bonded Turntrans-66.5-11.5172.750.40000113.8W216 Y217W216-T220 HydrophobicContact CD2-CG2 4.08Å; W216-T220 HydrophobicContact CG-CG2 4.39Å; W216-T220 HydrophobicContact CZ2-CG2 4.15Å; W216-T220 VanDerWaalsContact O-CG2 3.28Å; W216-T220 WeakPolarHBondContact O-CG2 3.43Å; W216-T220 PolarHBondContact O-N 3.43Å; W216-T220 VanDerWaalsContact O-N 3.14Å; W216-T220 PolarHBondContact O-OG1 3.24Å; Y217-T220 PolarHBondContact O-OG1 3.28Å
221T48.6Very low59Low118 Ų11865.9 Ų65.972%0.72432%0.324SS*.THydrogen-bonded Turntrans-87.6-7.7175.158.10000113.2K218 W219K218-T221 PolarHBondContact O-OG1 2.63Å; W219-T221 PolarHBondContact O-N 3.45Å
222V47.2Very low57.2Low76 Ų7668.2 Ų68.246%0.46133%0.333SS..SBendtrans-93.9134.3174.9-170.30000108.4W219 K224W219-V222 PolarHBondContact O-N 3.21Å; W219-V222 VanDerWaalsContact O-N 3.17Å; V222-K224 PolarHBondContact O-N 3.22Å
223N47.1Very low55.1Low181 Ų18176.9 Ų76.997%0.96837%0.365SS*.SBendtrans-74.243.9-175.4-146.4-0.5000113.2
224K53.4Low53.4Low49 Ų4976.2 Ų76.221%0.21336%0.364CS..SBendtrans-131.3140.9177.1-176.8170.3-177.8177.70109.8I193 H194 A196 V222 Y226I193-K224 PolarHBondContact O-NZ 3.18Å; H194-K224 VanDerWaalsContact C-NZ 3.25Å; H194-K224 PolarHBondContact O-NZ 3.03Å; A196-K224 PolarHBondContact O-NZ 3.04Å; V222-K224 PolarHBondContact O-N 3.22Å; K224-Y226 HydrophobicContact CB-CD2 4.5Å; K224-Y226 HydrophobicContact CB-CE2 3.83Å; K224-Y226 HydrophobicContact CD-CE1 4.2Å; K224-Y226 HydrophobicContact CD-CE2 4.41Å; K224-Y226 HydrophobicContact CG-CE2 4.12Å; K224-Y226 WeakPolarHBondContact O-CD2 3.27Å
225E55.4Low51.8Low131 Ų13184.3 Ų84.361%0.61239%0.394SS*.  trans-80.4118.8176.7-50.9-160.4133.900110.8M1M1-E225 VanDerWaalsContact N-CD 3.32Å; M1-E225 VanDerWaalsContact N-CG 3.35Å; M1-E225 PolarHBondContact N-OE1 2.78Å
226Y55.8Low50.9Low4 Ų487.7 Ų87.72%0.01641%0.406CS..  trans-114.3131.6174.3-66.4-79.5000110.3S2 I3 V199 F201 W219 K224 F228S2-Y226 WeakPolarHBondContact CA-O 3.23Å; S2-Y226 WeakPolarHBondContact CB-O 3.41Å; I3-Y226 PolarHBondContact N-O 3.18Å; V199-Y226 HydrophobicContact CB-CD1 4.06Å; V199-Y226 HydrophobicContact CB-CE1 4.32Å; V199-Y226 HydrophobicContact CG1-CD1 4.3Å; F201-Y226 AromaticContact CE2-CD1 3.83Å; F201-Y226 HydrophobicContact CE2-CD1 3.83Å; F201-Y226 HydrophobicContact CE2-CE1 4.36Å; W219-Y226 HydrophobicContact CB-CD2 4.47Å; W219-Y226 HydrophobicContact CE3-CD1 4.27Å; W219-Y226 HydrophobicContact CE3-CD2 4.02Å; W219-Y226 AromaticContact CE3-CE1 3.84Å; W219-Y226 HydrophobicContact CE3-CE1 3.84Å; W219-Y226 AromaticContact CE3-CE2 3.56Å; W219-Y226 HydrophobicContact CE3-CE2 3.56Å; W219-Y226 HydrophobicContact CE3-CG 4.35Å; W219-Y226 AromaticContact CE3-CZ 3.45Å; W219-Y226 VanDerWaalsContact CE3-CZ 3.45Å; W219-Y226 AromaticContact CZ3-CE1 3.75Å; W219-Y226 HydrophobicContact CZ3-CE1 3.75Å; W219-Y226 HydrophobicContact CZ3-CE2 4.14Å; W219-Y226 AromaticContact CZ3-CZ 3.53Å; W219-Y226 WeakPolarHBondContact CZ3-OH 3.46Å; K224-Y226 HydrophobicContact CB-CD2 4.5Å; K224-Y226 HydrophobicContact CB-CE2 3.83Å; K224-Y226 HydrophobicContact CD-CE1 4.2Å; K224-Y226 HydrophobicContact CD-CE2 4.41Å; K224-Y226 HydrophobicContact CG-CE2 4.12Å; K224-Y226 WeakPolarHBondContact O-CD2 3.27Å; Y226-F228 HydrophobicContact CG-CE2 4.41Å
227I58.9Low50.4Low25 Ų2588.9 Ų88.913%0.12842%0.415CS..EExtended strand (participates in β ladder)trans-98.5123.6174.3-58.1175000107.9L19 V199 I200 F201 L229L19-I227 HydrophobicContact CD1-CG2 4.05Å; L19-I227 HydrophobicContact CD2-CD1 3.77Å; V199-I227 PolarHBondContact O-N 3Å; I200-I227 CarbonylContact C-O 3.56Å; I200-I227 VanDerWaalsContact CA-O 3.32Å; I200-I227 WeakPolarHBondContact CA-O 3.46Å; I200-I227 HydrophobicContact CG1-CB 4.3Å; I200-I227 HydrophobicContact CG2-CG2 4.42Å; F201-I227 PolarHBondContact N-O 3.15Å; I227-L229 HydrophobicContact CG2-CD2 3.97Å; I227-L229 HydrophobicContact CG2-CG 4.2Å
228F62.2Low50Low5 Ų583.4 Ų83.42%0.02240%0.397CS..EExtended strand (participates in β ladder)trans-109.3119.5174.5-71-97.6000108.6I3 I4 V5 F201 V212 A215 W216 W219 Y226I3-F228 PolarHBondContact O-N 3.09Å; I3-F228 VanDerWaalsContact O-O 3.09Å; I4-F228 CarbonylContact C-O 3.56Å; I4-F228 VanDerWaalsContact CA-O 3.24Å; I4-F228 WeakPolarHBondContact CA-O 3.44Å; I4-F228 HydrophobicContact CG1-CB 4.47Å; V5-F228 PolarHBondContact N-O 2.99Å; F201-F228 HydrophobicContact CB-CD1 3.59Å; F201-F228 HydrophobicContact CB-CE1 3.85Å; F201-F228 HydrophobicContact CB-CG 4.28Å; F201-F228 AromaticContact CD2-CD1 3.94Å; F201-F228 HydrophobicContact CD2-CD1 3.94Å; F201-F228 AromaticContact CD2-CE1 3.45Å; F201-F228 HydrophobicContact CD2-CE1 3.45Å; F201-F228 VanDerWaalsContact CD2-CE1 3.45Å; F201-F228 HydrophobicContact CD2-CE2 4.18Å; F201-F228 HydrophobicContact CD2-CG 4.48Å; F201-F228 AromaticContact CD2-CZ 3.6Å; F201-F228 HydrophobicContact CD2-CZ 3.6Å; F201-F228 HydrophobicContact CE2-CE1 4.16Å; F201-F228 AromaticContact CE2-CZ 3.98Å; F201-F228 HydrophobicContact CE2-CZ 3.98Å; F201-F228 HydrophobicContact CG-CD1 4.04Å; F201-F228 AromaticContact CG-CE1 3.76Å; F201-F228 HydrophobicContact CG-CE1 3.76Å; F201-F228 HydrophobicContact CG-CZ 4.37Å; V212-F228 HydrophobicContact CG1-CD1 4.37Å; A215-F228 HydrophobicContact CB-CE1 4.37Å; W216-F228 HydrophobicContact CE3-CB 4.18Å; W216-F228 AromaticContact CE3-CD2 3.36Å; W216-F228 HydrophobicContact CE3-CD2 3.36Å; W216-F228 AromaticContact CE3-CE2 3.86Å; W216-F228 HydrophobicContact CE3-CE2 3.86Å; W216-F228 AromaticContact CE3-CG 3.91Å; W216-F228 HydrophobicContact CE3-CG 3.91Å; W216-F228 HydrophobicContact CZ3-CB 4.15Å; W216-F228 AromaticContact CZ3-CD2 3.51Å; W216-F228 HydrophobicContact CZ3-CD2 3.51Å; W216-F228 HydrophobicContact CZ3-CE2 4.27Å; W216-F228 HydrophobicContact CZ3-CG 4.17Å; W219-F228 HydrophobicContact CB-CZ 4.41Å; W219-F228 HydrophobicContact CG-CZ 4.42Å; Y226-F228 HydrophobicContact CG-CE2 4.41Å
229L59Low49.5Very low3 Ų380.1 Ų80.12%0.01638%0.384CS..EExtended strand (participates in β ladder)trans-107.6127.7173.8-55.9177.1000108.5V5 M12 L16 L19 I200 F201 A203 I227V5-L229 HydrophobicContact CB-CD2 3.42Å; V5-L229 VanDerWaalsContact CB-CD2 3.42Å; V5-L229 HydrophobicContact CG1-CD2 4.34Å; V5-L229 HydrophobicContact CG2-CD2 3.49Å; V5-L229 VanDerWaalsContact CG2-CD2 3.49Å; M12-L229 HydrophobicContact CE-CB 3.63Å; M12-L229 VanDerWaalsContact CE-O 3.3Å; M12-L229 WeakPolarHBondContact CE-O 3.49Å; L16-L229 HydrophobicContact CD1-CD1 4.3Å; L16-L229 HydrophobicContact CD2-CD1 3.37Å; L16-L229 HydrophobicContact CG-CD1 3.51Å; L19-L229 HydrophobicContact CD1-CD1 3.93Å; L19-L229 HydrophobicContact CD1-CD2 4.02Å; L19-L229 HydrophobicContact CD1-CG 4.43Å; I200-L229 HydrophobicContact CG2-CD1 3.47Å; I200-L229 VanDerWaalsContact CG2-CD1 3.47Å; I200-L229 HydrophobicContact CG2-CG 3.78Å; F201-L229 PolarHBondContact O-N 2.77Å; A203-L229 PolarHBondContact N-O 2.84Å; I227-L229 HydrophobicContact CG2-CD2 3.97Å; I227-L229 HydrophobicContact CG2-CG 4.2Å
230K55.1Low49.1Very low6 Ų681 Ų813%0.02639%0.393CS..EExtended strand (participates in β ladder)trans-132.8125.4-171.7-172178.8-175.7178.20112.2V5 E6 G7 A203 S209 V212 F232V5-K230 PolarHBondContact O-N 2.86Å; E6-K230 WeakPolarHBondContact CA-O 3.29Å; G7-K230 PolarHBondContact N-O 3.45Å; A203-K230 WeakPolarHBondContact O-CA 3.33Å; S209-K230 VanDerWaalsContact CA-CE 3.44Å; S209-K230 PolarHBondContact O-NZ 3.17Å; V212-K230 HydrophobicContact CB-CD 4.21Å; V212-K230 HydrophobicContact CG1-CD 3.93Å; K230-F232 HydrophobicContact CD-CD2 4.16Å; K230-F232 HydrophobicContact CD-CE1 4.14Å; K230-F232 HydrophobicContact CD-CE2 3.41Å; K230-F232 VanDerWaalsContact CD-CE2 3.41Å; K230-F232 HydrophobicContact CD-CZ 3.45Å; K230-F232 VanDerWaalsContact CD-CZ 3.45Å; K230-F232 HydrophobicContact CG-CD2 4.11Å; K230-F232 HydrophobicContact CG-CE2 3.83Å; K230-F232 HydrophobicContact CG-CZ 4.29Å; K230-F232 VanDerWaalsContact NZ-CE1 3.32Å
231I49Very low48.9Very low6 Ų681.9 Ų81.93%0.03139%0.392CS..EExtended strand (participates in β ladder)trans-101.9125.3166.6-68.8168.7000108.6G7 R9 M12 A203 T204 G205 R233G7-I231 WeakPolarHBondContact O-CG1 3.37Å; R9-I231 HydrophobicContact CB-CD1 4.32Å; M12-I231 HydrophobicContact CB-CD1 3.96Å; M12-I231 HydrophobicContact CB-CG1 4.2Å; M12-I231 HydrophobicContact CE-CB 4.49Å; M12-I231 HydrophobicContact CE-CD1 4.14Å; M12-I231 HydrophobicContact CE-CG1 3.75Å; M12-I231 HydrophobicContact CG-CD1 3.79Å; M12-I231 HydrophobicContact CG-CG1 3.63Å; M12-I231 HydrophobicContact SD-CD1 3.14Å; M12-I231 WeakPolarHBondContact SD-CD1 3.47Å; M12-I231 HydrophobicContact SD-CG1 3.32Å; M12-I231 WeakPolarHBondContact SD-CG1 3.3Å; A203-I231 PolarHBondContact O-N 2.86Å; T204-I231 HydrophobicContact CG2-CD1 3.94Å; G205-I231 PolarHBondContact N-O 3.24Å; G205-I231 VanDerWaalsContact N-O 3.14Å; I231-R233 WeakPolarHBondContact CG2-O 3.45Å
232F40.2Very low49Very low72 Ų7279.4 Ų79.432%0.31637%0.368SS..  trans-90.3-16.6176.2-75.3-95000114.7E6 A206 K230E6-F232 HydrophobicContact CB-CE2 4.36Å; E6-F232 HydrophobicContact CG-CE2 3.92Å; E6-F232 VanDerWaalsContact OE1-CE2 3.29Å; E6-F232 WeakPolarHBondContact OE1-CE2 3.48Å; A206-F232 WeakPolarHBondContact CB-O 3.42Å; K230-F232 HydrophobicContact CD-CD2 4.16Å; K230-F232 HydrophobicContact CD-CE1 4.14Å; K230-F232 HydrophobicContact CD-CE2 3.41Å; K230-F232 VanDerWaalsContact CD-CE2 3.41Å; K230-F232 HydrophobicContact CD-CZ 3.45Å; K230-F232 VanDerWaalsContact CD-CZ 3.45Å; K230-F232 HydrophobicContact CG-CD2 4.11Å; K230-F232 HydrophobicContact CG-CE2 3.83Å; K230-F232 HydrophobicContact CG-CZ 4.29Å; K230-F232 VanDerWaalsContact NZ-CE1 3.32Å
233R29.5Very low49.1Very low186 Ų18679.6 Ų79.670%0.70236%0.361SS*.  trans-137.7118-179-72.1-173.5175.4-178.3-1.8111.2I231I231-R233 WeakPolarHBondContact CG2-O 3.45Å
234E35.4Very low49.3Very low124 Ų12471.2 Ų71.258%0.57931%0.311SS*.  trans-86.3141.8154.7-70.6176.7178.700106.5T204T204-E234 WeakPolarHBondContact CB-OE1 3.4Å; T204-E234 PolarHBondContact OG1-OE1 3.4Å; T204-E234 VanDerWaalsContact OG1-OE1 3.08Å
235F37.4Very low48.9Very low243 Ų24373.2 Ų73.2100%1.06632%0.319SS*.  trans-92.30170.1-69.6-79.1000108.6

Retrieved 235 of 235 residues in 251.6 ms (Link to these results)

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