G4V771_SCHMA Loading...

Putative ancient ubiquitous protein

AlphaFold DB , UniProt , Accession G4V771, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 428 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
1M59Low71.6Confident173 Ų17388.9 Ų88.985%0.85244%0.438SS*.  0116.40-102.1-177.6174.300111.1F5 K177M1-F5 HydrophobicContact CE-CD2 3.96Å; M1-F5 HydrophobicContact CE-CE2 3.55Å; M1-F5 HydrophobicContact CE-CZ 4.44Å; M1-F5 HydrophobicContact SD-CD2 4.04Å; M1-F5 HydrophobicContact SD-CE2 4.11Å; M1-K177 PolarHBondContact O-NZ 2.89Å
2R74.7Confident72.3Confident38 Ų3892.3 Ų92.314%0.14346%0.458CS..  trans-88.4-29.4176.3-67.4-150.1178.1-153.5-13.3114.3K177 V180 E188 W191R2-K177 WeakPolarHBondContact O-CG 3.44Å; R2-K177 PolarHBondContact O-N 3.41Å; R2-V180 HydrophobicContact CB-CG2 4.36Å; R2-V180 HydrophobicContact CG-CB 4.24Å; R2-V180 HydrophobicContact CG-CG2 3.75Å; R2-E188 IonicContact CZ-OE1 3.43Å; R2-E188 IonicContact CZ-OE2 3.43Å; R2-E188 IonicContact NH1-OE1 3.77Å; R2-E188 PolarHBondContact NH1-OE1 2.91Å; R2-E188 IonicContact NH1-OE2 3.29Å; R2-E188 PolarHBondContact NH1-OE2 2.97Å; R2-E188 VanDerWaalsContact NH2-CD 3.35Å; R2-E188 IonicContact NH2-OE1 2.64Å; R2-E188 PolarHBondContact NH2-OE1 2.81Å; R2-E188 IonicContact NH2-OE2 2.67Å; R2-W191 VanDerWaalsContact CZ-CD1 3.49Å
3I76.1Confident73.3Confident47 Ų4792.5 Ų92.524%0.24147%0.471CS..BIsolated β-bridgetrans-83.8132.4-179.7-59.6173.9000108.7F5 V11 P175I3-F5 PolarHBondContact O-N 3.49Å; I3-V11 HydrophobicContact CD1-CG1 4.24Å; I3-V11 HydrophobicContact CD1-CG2 4.47Å; I3-V11 HydrophobicContact CG2-CG2 4.19Å; I3-P175 WeakPolarHBondContact CA-O 3.37Å
4V71.2Confident74.4Confident60 Ų6087.4 Ų87.436%0.36444%0.443SS..  trans-85.1108.7177.5-175.20000108.4Y7 G8 P175 K177V4-Y7 PolarHBondContact O-N 3.38Å; V4-Y7 VanDerWaalsContact O-N 3.15Å; V4-G8 PolarHBondContact O-N 3.37Å; V4-G8 VanDerWaalsContact O-N 3.15Å; V4-P175 HydrophobicContact CB-CB 4.34Å; V4-P175 PolarHBondContact N-O 2.6Å; V4-K177 HydrophobicContact CG2-CG 3.98Å
5F67.2Low75.2Confident136 Ų13685.3 Ų85.360%0.59644%0.436SS*.THydrogen-bonded Turntrans-74.7142.8171.6-80.2-86.1000110.1M1 I3M1-F5 HydrophobicContact CE-CD2 3.96Å; M1-F5 HydrophobicContact CE-CE2 3.55Å; M1-F5 HydrophobicContact CE-CZ 4.44Å; M1-F5 HydrophobicContact SD-CD2 4.04Å; M1-F5 HydrophobicContact SD-CE2 4.11Å; I3-F5 PolarHBondContact O-N 3.49Å
6P64.4Low76.2Confident98 Ų9885.4 Ų85.464%0.63644%0.444SS*.THydrogen-bonded Turncis-88.5-6.21034.5-35.8000115.1G8 L9P6-G8 PolarHBondContact O-N 3.49Å; P6-L9 PolarHBondContact O-N 3.37Å
7Y70.8Confident77Confident138 Ų13886.3 Ų86.354%0.54145%0.449SS..G310 helixtrans-64.9-11.8-175.2-55.1-73000114.1V4 L9 F10 P175V4-Y7 PolarHBondContact O-N 3.38Å; V4-Y7 VanDerWaalsContact O-N 3.15Å; Y7-L9 PolarHBondContact O-N 3.49Å; Y7-F10 HydrophobicContact CD1-CD2 4.47Å; Y7-F10 HydrophobicContact CD1-CE2 4.2Å; Y7-F10 WeakPolarHBondContact O-CB 3.34Å; Y7-F10 WeakPolarHBondContact O-CD2 3.27Å; Y7-F10 PolarHBondContact O-N 3.07Å; Y7-P175 HydrophobicContact CG-CB 4.38Å; Y7-P175 WeakPolarHBondContact O-CG 3.36Å
8G70.7Confident77.8Confident10 Ų1081.5 Ų81.510%0.10342%0.424CS..G310 helixtrans-52.4-22.8171.900000115.2V4 P6 F10 V11V4-G8 PolarHBondContact O-N 3.37Å; V4-G8 VanDerWaalsContact O-N 3.15Å; P6-G8 PolarHBondContact O-N 3.49Å; G8-F10 PolarHBondContact O-N 3.2Å; G8-V11 VanDerWaalsContact O-CB 3.29Å; G8-V11 WeakPolarHBondContact O-CB 3.25Å; G8-V11 PolarHBondContact O-N 3.44Å
9L74.7Confident78.4Confident132 Ų13280.9 Ų80.969%0.69142%0.424SS*.G310 helixtrans-60.4-32.4174-170.765.2000112.7P6 Y7 V11 L12 P13P6-L9 PolarHBondContact O-N 3.37Å; Y7-L9 PolarHBondContact O-N 3.49Å; L9-V11 PolarHBondContact O-N 2.63Å; L9-L12 PolarHBondContact O-N 3.11Å; L9-P13 WeakPolarHBondContact O-CD 3.42Å
10F78.2Confident79.1Confident138 Ų13881.6 Ų81.661%0.60543%0.432SS*.G310 helixtrans-67.9-20.3175.6-68.1-71.4000113.1Y7 G8 P13 Y14Y7-F10 HydrophobicContact CD1-CD2 4.47Å; Y7-F10 HydrophobicContact CD1-CE2 4.2Å; Y7-F10 WeakPolarHBondContact O-CB 3.34Å; Y7-F10 WeakPolarHBondContact O-CD2 3.27Å; Y7-F10 PolarHBondContact O-N 3.07Å; G8-F10 PolarHBondContact O-N 3.2Å; F10-P13 WeakPolarHBondContact O-CD 3.41Å; F10-Y14 WeakPolarHBondContact O-CB 3.16Å
11V80.1Confident79.7Confident8 Ų879.7 Ų79.75%0.04842%0.421CS..Hα-helixtrans-74.5-31.3178.2-1760000110.9I3 G8 L9 Y14 T15 P175 F194I3-V11 HydrophobicContact CD1-CG1 4.24Å; I3-V11 HydrophobicContact CD1-CG2 4.47Å; I3-V11 HydrophobicContact CG2-CG2 4.19Å; G8-V11 VanDerWaalsContact O-CB 3.29Å; G8-V11 WeakPolarHBondContact O-CB 3.25Å; G8-V11 PolarHBondContact O-N 3.44Å; L9-V11 PolarHBondContact O-N 2.63Å; V11-Y14 CarbonylContact O-C 3.54Å; V11-Y14 PolarHBondContact O-N 3.11Å; V11-T15 PolarHBondContact O-N 3.42Å; V11-T15 PolarHBondContact O-OG1 2.89Å; V11-P175 HydrophobicContact CG2-CG 4.04Å; V11-F194 HydrophobicContact CG1-CE1 3.92Å; V11-F194 HydrophobicContact CG1-CZ 4.04Å
12L81Confident81.3Confident129 Ų12972.6 Ų72.668%0.67539%0.388SS*.Hα-helixtrans-60.1-53.8-176.6-168.472.8000113.4L9 Y14 T15L9-L12 PolarHBondContact O-N 3.11Å; L12-Y14 VanDerWaalsContact C-N 3.27Å; L12-Y14 PolarHBondContact O-N 2.93Å; L12-T15 PolarHBondContact O-N 2.98Å
13P84.9Confident82.1Confident96 Ų9675.6 Ų75.662%0.62341%0.405SS*.Hα-helixtrans-70.2-26.3176.629.4-35.8000112.5L9 F10 P16L9-P13 WeakPolarHBondContact O-CD 3.42Å; F10-P13 WeakPolarHBondContact O-CD 3.41Å; P13-P16 WeakPolarHBondContact O-CD 3.32Å
14Y88.1Confident82.9Confident21 Ų2178.5 Ų78.58%0.08242%0.421CS..Hα-helixtrans-73.6-28.6176.8177.3-105.4000112.3F10 V11 L12 L17 G18 I21 F174 F194 P196F10-Y14 WeakPolarHBondContact O-CB 3.16Å; V11-Y14 CarbonylContact O-C 3.54Å; V11-Y14 PolarHBondContact O-N 3.11Å; L12-Y14 VanDerWaalsContact C-N 3.27Å; L12-Y14 PolarHBondContact O-N 2.93Å; Y14-L17 HydrophobicContact CD2-CB 4.46Å; Y14-L17 HydrophobicContact CD2-CD2 4.26Å; Y14-L17 HydrophobicContact CE2-CD2 4.28Å; Y14-L17 HydrophobicContact CE2-CG 4.47Å; Y14-L17 CarbonylContact O-C 3.45Å; Y14-L17 WeakPolarHBondContact O-CA 3.37Å; Y14-L17 WeakPolarHBondContact O-CB 3.49Å; Y14-L17 PolarHBondContact O-N 3.48Å; Y14-G18 PolarHBondContact O-N 3.21Å; Y14-I21 HydrophobicContact CE2-CD1 4.03Å; Y14-I21 WeakPolarHBondContact OH-CD1 3.48Å; Y14-F174 HydrophobicContact CD1-CD1 4.36Å; Y14-F174 AromaticContact CD1-CE1 3.8Å; Y14-F174 HydrophobicContact CD1-CE1 3.8Å; Y14-F174 HydrophobicContact CD1-CZ 4.41Å; Y14-F174 HydrophobicContact CD2-CE1 4.04Å; Y14-F174 AromaticContact CD2-CZ 3.91Å; Y14-F174 HydrophobicContact CD2-CZ 3.91Å; Y14-F174 HydrophobicContact CE1-CE1 4.34Å; Y14-F174 HydrophobicContact CE2-CZ 4.26Å; Y14-F174 AromaticContact CG-CE1 3.63Å; Y14-F174 HydrophobicContact CG-CE1 3.63Å; Y14-F174 AromaticContact CG-CZ 3.99Å; Y14-F174 HydrophobicContact CG-CZ 3.99Å; Y14-F194 AromaticContact CD1-CE1 3.78Å; Y14-F194 HydrophobicContact CD1-CE1 3.78Å; Y14-F194 HydrophobicContact CD1-CE2 4.25Å; Y14-F194 AromaticContact CD1-CZ 3.59Å; Y14-F194 HydrophobicContact CD1-CZ 3.59Å; Y14-F194 HydrophobicContact CE1-CD1 4.09Å; Y14-F194 HydrophobicContact CE1-CD2 4.39Å; Y14-F194 AromaticContact CE1-CE1 3.73Å; Y14-F194 HydrophobicContact CE1-CE1 3.73Å; Y14-F194 HydrophobicContact CE1-CE2 4.06Å; Y14-F194 HydrophobicContact CE1-CG 4.41Å; Y14-F194 AromaticContact CE1-CZ 3.72Å; Y14-F194 HydrophobicContact CE1-CZ 3.72Å; Y14-F194 VanDerWaalsContact CE1-O 3.22Å; Y14-F194 WeakPolarHBondContact CE1-O 3.34Å; Y14-F194 PolarHBondContact OH-O 3.01Å; Y14-P196 HydrophobicContact CE2-CG 4.45Å
15T87.1Confident83.9Confident55 Ų5577 Ų7734%0.33741%0.409SS..Hα-helixtrans-49.6-50.6-172.5-61.70000114.7V11 L12 L17 G18 V19V11-T15 PolarHBondContact O-N 3.42Å; V11-T15 PolarHBondContact O-OG1 2.89Å; L12-T15 PolarHBondContact O-N 2.98Å; T15-L17 PolarHBondContact O-N 3.29Å; T15-G18 PolarHBondContact O-N 2.9Å; T15-V19 WeakPolarHBondContact O-CG2 3.23Å; T15-V19 PolarHBondContact O-N 3.25Å
16P90.6Very high85.1Confident87 Ų8773 Ų7357%0.56539%0.393SS*.Hα-helixtrans-62.3-41.3178.123.8-34.2000112.6P13 V19 V20P13-P16 WeakPolarHBondContact O-CD 3.32Å; P16-V19 PolarHBondContact O-N 3.46Å; P16-V20 WeakPolarHBondContact O-CG2 3.29Å; P16-V20 PolarHBondContact O-N 3.5Å
17L90.4Very high86.4Confident101 Ų10172 Ų7253%0.52939%0.385SS..Hα-helixtrans-66.8-41.4176.4-176.466.3000111.4Y14 T15 V19 V20 I21Y14-L17 HydrophobicContact CD2-CB 4.46Å; Y14-L17 HydrophobicContact CD2-CD2 4.26Å; Y14-L17 HydrophobicContact CE2-CD2 4.28Å; Y14-L17 HydrophobicContact CE2-CG 4.47Å; Y14-L17 CarbonylContact O-C 3.45Å; Y14-L17 WeakPolarHBondContact O-CA 3.37Å; Y14-L17 WeakPolarHBondContact O-CB 3.49Å; Y14-L17 PolarHBondContact O-N 3.48Å; T15-L17 PolarHBondContact O-N 3.29Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.97Å; L17-V20 PolarHBondContact O-N 3.36Å; L17-I21 HydrophobicContact CD2-CD1 4.49Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.33Å; L17-I21 PolarHBondContact O-N 3.42Å
18G90.5Very high87.3Confident0 Ų068.8 Ų68.80%038%0.377CS..Hα-helixtrans-61.5-40.2176.900000111.9Y14 T15 I21 V22Y14-G18 PolarHBondContact O-N 3.21Å; T15-G18 PolarHBondContact O-N 2.9Å; G18-I21 PolarHBondContact O-N 3.18Å; G18-V22 WeakPolarHBondContact O-CB 3.14Å; G18-V22 WeakPolarHBondContact O-CG2 3.4Å; G18-V22 PolarHBondContact O-N 2.94Å
19V90.7Very high88.2Confident71 Ų7168.8 Ų68.843%0.4337%0.374SS..Hα-helixtrans-63.2-44.1174.2171.60000111.3T15 P16 L17 I21 V22 I23T15-V19 WeakPolarHBondContact O-CG2 3.23Å; T15-V19 PolarHBondContact O-N 3.25Å; P16-V19 PolarHBondContact O-N 3.46Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 2.97Å; V19-I21 VanDerWaalsContact C-N 3.33Å; V19-I21 PolarHBondContact O-N 2.8Å; V19-V22 PolarHBondContact O-N 3.37Å; V19-I23 HydrophobicContact CG1-CD1 4Å; V19-I23 WeakPolarHBondContact O-CG1 3.47Å; V19-I23 PolarHBondContact O-N 2.99Å
20V92.1Very high88.9Confident94 Ų9467.5 Ų67.557%0.5737%0.366SS*.Hα-helixtrans-60.9-44.1175175.30000111P16 L17 V22 I23 L24P16-V20 WeakPolarHBondContact O-CG2 3.29Å; P16-V20 PolarHBondContact O-N 3.5Å; L17-V20 PolarHBondContact O-N 3.36Å; V20-V22 VanDerWaalsContact C-N 3.35Å; V20-V22 PolarHBondContact O-N 3.48Å; V20-I23 PolarHBondContact O-N 3.26Å; V20-L24 WeakPolarHBondContact O-CB 3.28Å; V20-L24 PolarHBondContact O-N 3.09Å
21I91.3Very high89.4Confident41 Ų4167 Ų6721%0.2137%0.365CS..Hα-helixtrans-61.2-42.8175.9-71.3166.9000111.1Y14 L17 G18 V19 L24 R25Y14-I21 HydrophobicContact CE2-CD1 4.03Å; Y14-I21 WeakPolarHBondContact OH-CD1 3.48Å; L17-I21 HydrophobicContact CD2-CD1 4.49Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.33Å; L17-I21 PolarHBondContact O-N 3.42Å; G18-I21 PolarHBondContact O-N 3.18Å; V19-I21 VanDerWaalsContact C-N 3.33Å; V19-I21 PolarHBondContact O-N 2.8Å; I21-L24 PolarHBondContact O-N 3.26Å; I21-R25 HydrophobicContact CG2-CG 4.24Å; I21-R25 VanDerWaalsContact O-CB 3.28Å; I21-R25 WeakPolarHBondContact O-CB 3.46Å; I21-R25 WeakPolarHBondContact O-CG 3.4Å; I21-R25 PolarHBondContact O-N 2.88Å
22V92Very high89.6Confident24 Ų2467 Ų6715%0.14537%0.366CS..Hα-helixtrans-60.7-48.7176.9167.80000110.8G18 V19 V20 L24 R25 L26 F193 F194G18-V22 WeakPolarHBondContact O-CB 3.14Å; G18-V22 WeakPolarHBondContact O-CG2 3.4Å; G18-V22 PolarHBondContact O-N 2.94Å; V19-V22 PolarHBondContact O-N 3.37Å; V20-V22 VanDerWaalsContact C-N 3.35Å; V20-V22 PolarHBondContact O-N 3.48Å; V22-L24 PolarHBondContact O-N 3.05Å; V22-R25 PolarHBondContact O-N 3.27Å; V22-L26 HydrophobicContact CG1-CD1 3.65Å; V22-L26 HydrophobicContact CG1-CG 4.2Å; V22-L26 WeakPolarHBondContact O-CB 3.46Å; V22-L26 VanDerWaalsContact O-CG 3.26Å; V22-L26 WeakPolarHBondContact O-CG 3.46Å; V22-L26 PolarHBondContact O-N 2.92Å; V22-F193 HydrophobicContact CB-CB 4.42Å; V22-F193 HydrophobicContact CG1-CB 4.25Å; V22-F193 HydrophobicContact CG2-CB 4Å; V22-F194 VanDerWaalsContact CG2-CA 3.41Å; V22-F194 HydrophobicContact CG2-CB 3.7Å; V22-F194 HydrophobicContact CG2-CD2 4.01Å; V22-F194 HydrophobicContact CG2-CG 4.36Å
23I92.3Very high89.6Confident101 Ų10164.6 Ų64.652%0.51835%0.35SS..Hα-helixtrans-60-49.3179.7-67166.1000110.1V19 V20 R25 L26 V27V19-I23 HydrophobicContact CG1-CD1 4Å; V19-I23 WeakPolarHBondContact O-CG1 3.47Å; V19-I23 PolarHBondContact O-N 2.99Å; V20-I23 PolarHBondContact O-N 3.26Å; I23-R25 PolarHBondContact O-N 2.82Å; I23-L26 PolarHBondContact O-N 3.48Å; I23-V27 WeakPolarHBondContact O-CG2 3.37Å; I23-V27 PolarHBondContact O-N 3.49Å
24L92Very high89.6Confident109 Ų10965 Ų6557%0.57135%0.346SS*.Hα-helixtrans-57.9-48.3178.1-177.770.8000111.3V20 I21 V22 V27 I28V20-L24 WeakPolarHBondContact O-CB 3.28Å; V20-L24 PolarHBondContact O-N 3.09Å; I21-L24 PolarHBondContact O-N 3.26Å; V22-L24 PolarHBondContact O-N 3.05Å; L24-V27 PolarHBondContact O-N 3.09Å; L24-I28 HydrophobicContact CD1-CD1 4.34Å; L24-I28 HydrophobicContact CG-CD1 4.01Å; L24-I28 VanDerWaalsContact O-CG1 3.32Å; L24-I28 WeakPolarHBondContact O-CG1 3.26Å; L24-I28 PolarHBondContact O-N 3.4Å; L24-I28 VanDerWaalsContact O-N 3.09Å
25R93.4Very high89.3Confident28 Ų2865.5 Ų65.511%0.10636%0.355CS..Hα-helixtrans-65.1-40.1-179.9-75.2174.7168.2-169.7-10.4112.5I21 V22 I23 V27 I28 F29 V56 F193 T195 P196I21-R25 HydrophobicContact CG2-CG 4.24Å; I21-R25 VanDerWaalsContact O-CB 3.28Å; I21-R25 WeakPolarHBondContact O-CB 3.46Å; I21-R25 WeakPolarHBondContact O-CG 3.4Å; I21-R25 PolarHBondContact O-N 2.88Å; V22-R25 PolarHBondContact O-N 3.27Å; I23-R25 PolarHBondContact O-N 2.82Å; R25-V27 VanDerWaalsContact C-N 3.34Å; R25-V27 PolarHBondContact O-N 2.89Å; R25-I28 PolarHBondContact O-N 3.41Å; R25-F29 WeakPolarHBondContact O-CB 3.48Å; R25-F29 PolarHBondContact O-N 2.9Å; R25-V56 HydrophobicContact CB-CG1 3.75Å; R25-V56 WeakPolarHBondContact CD-O 3.3Å; R25-V56 HydrophobicContact CG-CG1 4.02Å; R25-V56 WeakPolarHBondContact CG-O 3.47Å; R25-V56 PolarHBondContact NE-O 2.96Å; R25-V56 VanDerWaalsContact O-CG1 3.22Å; R25-V56 WeakPolarHBondContact O-CG1 3.26Å; R25-F193 HydrophobicContact CB-CD1 3.64Å; R25-F193 HydrophobicContact CB-CE1 4.25Å; R25-F193 HydrophobicContact CB-CG 4.37Å; R25-F193 WeakPolarHBondContact CD-O 3.37Å; R25-F193 PolarHBondContact NH1-O 3.32Å; R25-T195 PolarHBondContact NH1-O 3.21Å; R25-P196 PolarHBondContact NH2-O 3.17Å
26L91.3Very high88.8Confident51 Ų5164 Ų6427%0.26735%0.347SS..Hα-helixtrans-60.1-45.2175.7-79170.1000111V22 I23 I28 F29 M30 F193V22-L26 HydrophobicContact CG1-CD1 3.65Å; V22-L26 HydrophobicContact CG1-CG 4.2Å; V22-L26 WeakPolarHBondContact O-CB 3.46Å; V22-L26 VanDerWaalsContact O-CG 3.26Å; V22-L26 WeakPolarHBondContact O-CG 3.46Å; V22-L26 PolarHBondContact O-N 2.92Å; I23-L26 PolarHBondContact O-N 3.48Å; L26-I28 PolarHBondContact O-N 3.34Å; L26-F29 PolarHBondContact O-N 3.21Å; L26-M30 WeakPolarHBondContact O-CB 3.16Å; L26-M30 WeakPolarHBondContact O-CG 3.44Å; L26-M30 PolarHBondContact O-N 3.01Å; L26-F193 HydrophobicContact CD2-CD2 3.59Å; L26-F193 HydrophobicContact CD2-CE2 3.36Å; L26-F193 HydrophobicContact CD2-CG 4.46Å; L26-F193 HydrophobicContact CD2-CZ 4.08Å; L26-F193 HydrophobicContact CG-CD2 4.08Å; L26-F193 HydrophobicContact CG-CE2 4.24Å
27V91.7Very high88Confident77 Ų7769.5 Ų69.547%0.46736%0.356SS..Hα-helixtrans-60.9-47.9177.7174.10000110.8I23 L24 R25 M30 H31I23-V27 WeakPolarHBondContact O-CG2 3.37Å; I23-V27 PolarHBondContact O-N 3.49Å; L24-V27 PolarHBondContact O-N 3.09Å; R25-V27 VanDerWaalsContact C-N 3.34Å; R25-V27 PolarHBondContact O-N 2.89Å; V27-M30 PolarHBondContact O-N 3.29Å; V27-H31 PolarHBondContact O-N 3.3Å; V27-H31 VanDerWaalsContact O-N 3.12Å; V27-H31 PolarHBondContact O-ND1 3.05Å
28I91.1Very high87.5Confident71 Ų7170.3 Ų70.336%0.36437%0.365SS..Hα-helixtrans-65.8-42.6179.6-57.7164000110.7L24 R25 L26 M30 H31 A32 V56L24-I28 HydrophobicContact CD1-CD1 4.34Å; L24-I28 HydrophobicContact CG-CD1 4.01Å; L24-I28 VanDerWaalsContact O-CG1 3.32Å; L24-I28 WeakPolarHBondContact O-CG1 3.26Å; L24-I28 PolarHBondContact O-N 3.4Å; L24-I28 VanDerWaalsContact O-N 3.09Å; R25-I28 PolarHBondContact O-N 3.41Å; L26-I28 PolarHBondContact O-N 3.34Å; I28-M30 PolarHBondContact O-N 3.43Å; I28-H31 PolarHBondContact O-N 2.92Å; I28-A32 WeakPolarHBondContact O-CB 3.42Å; I28-A32 PolarHBondContact O-N 3.28Å; I28-V56 HydrophobicContact CB-CG1 4.42Å; I28-V56 HydrophobicContact CB-CG2 3.95Å; I28-V56 HydrophobicContact CG2-CG2 3.39Å
29F89.8Confident86.5Confident10 Ų1072.9 Ų72.94%0.04438%0.379CS..Hα-helixtrans-61.3-43.8178.9-172.8-93.4000111.5R25 L26 H31 A32 F33 M53 V56 F104 F193R25-F29 WeakPolarHBondContact O-CB 3.48Å; R25-F29 PolarHBondContact O-N 2.9Å; L26-F29 PolarHBondContact O-N 3.21Å; F29-H31 PolarHBondContact O-N 3.02Å; F29-A32 PolarHBondContact O-N 3.15Å; F29-F33 VanDerWaalsContact O-CB 3.28Å; F29-F33 WeakPolarHBondContact O-CB 3.5Å; F29-F33 PolarHBondContact O-N 3.49Å; F29-M53 HydrophobicContact CD2-CG 4.23Å; F29-M53 HydrophobicContact CE2-CB 4.14Å; F29-M53 HydrophobicContact CE2-CG 3.87Å; F29-M53 HydrophobicContact CE2-SD 4.27Å; F29-V56 HydrophobicContact CB-CG1 3.96Å; F29-F104 HydrophobicContact CE1-CE1 4.02Å; F29-F104 HydrophobicContact CE2-CE1 4.43Å; F29-F104 HydrophobicContact CE2-CZ 4.28Å; F29-F104 HydrophobicContact CZ-CD1 4.19Å; F29-F104 AromaticContact CZ-CE1 3.41Å; F29-F104 HydrophobicContact CZ-CE1 3.41Å; F29-F104 VanDerWaalsContact CZ-CE1 3.41Å; F29-F104 AromaticContact CZ-CZ 3.66Å; F29-F104 HydrophobicContact CZ-CZ 3.66Å; F29-F193 HydrophobicContact CB-CE1 3.87Å; F29-F193 HydrophobicContact CB-CZ 3.78Å; F29-F193 AromaticContact CD1-CZ 3.88Å; F29-F193 HydrophobicContact CD1-CZ 3.88Å; F29-F193 AromaticContact CD2-CE1 4Å; F29-F193 HydrophobicContact CD2-CE1 4Å; F29-F193 AromaticContact CD2-CZ 3.87Å; F29-F193 HydrophobicContact CD2-CZ 3.87Å; F29-F193 HydrophobicContact CE1-CZ 4.49Å; F29-F193 HydrophobicContact CE2-CZ 4.48Å; F29-F193 AromaticContact CG-CE1 3.93Å; F29-F193 HydrophobicContact CG-CE1 3.93Å; F29-F193 AromaticContact CG-CZ 3.55Å; F29-F193 HydrophobicContact CG-CZ 3.55Å
30M87.9Confident85.4Confident106 Ų10673.4 Ų73.452%0.52239%0.385SS..Hα-helixtrans-62.4-41.7176.3-71.4-62.1-178.900111.7L26 V27 I28 F33 L34L26-M30 WeakPolarHBondContact O-CB 3.16Å; L26-M30 WeakPolarHBondContact O-CG 3.44Å; L26-M30 PolarHBondContact O-N 3.01Å; V27-M30 PolarHBondContact O-N 3.29Å; I28-M30 PolarHBondContact O-N 3.43Å; M30-F33 PolarHBondContact O-N 3.33Å; M30-L34 WeakPolarHBondContact O-CB 3.27Å; M30-L34 VanDerWaalsContact O-CG 3.26Å; M30-L34 WeakPolarHBondContact O-CG 3.42Å; M30-L34 PolarHBondContact O-N 3.49Å
31H88.3Confident84.3Confident127 Ų12777.2 Ų77.259%0.58840%0.397SS*.Hα-helixtrans-64.5-43.3174.6-76.678000112V27 I28 F29 F33 L34 A35V27-H31 PolarHBondContact O-N 3.3Å; V27-H31 VanDerWaalsContact O-N 3.12Å; V27-H31 PolarHBondContact O-ND1 3.05Å; I28-H31 PolarHBondContact O-N 2.92Å; F29-H31 PolarHBondContact O-N 3.02Å; H31-F33 VanDerWaalsContact C-N 3.32Å; H31-F33 PolarHBondContact O-N 3.06Å; H31-L34 PolarHBondContact O-N 2.88Å; H31-A35 VanDerWaalsContact O-CB 3.24Å; H31-A35 WeakPolarHBondContact O-CB 3.26Å; H31-A35 PolarHBondContact O-N 3.46Å
32A85.2Confident83.3Confident9 Ų980.8 Ų80.87%0.07441%0.411CS..Hα-helixtrans-63.8-39.2176.500000111.7I28 F29 A35 S36 V49 M53I28-A32 WeakPolarHBondContact O-CB 3.42Å; I28-A32 PolarHBondContact O-N 3.28Å; F29-A32 PolarHBondContact O-N 3.15Å; A32-A35 PolarHBondContact O-N 3.43Å; A32-S36 WeakPolarHBondContact O-CB 3.2Å; A32-S36 PolarHBondContact O-N 3.17Å; A32-V49 HydrophobicContact CB-CG1 4.43Å; A32-V49 VanDerWaalsContact O-CG1 3.27Å; A32-V49 WeakPolarHBondContact O-CG1 3.36Å; A32-M53 HydrophobicContact CB-CE 4.43Å; A32-M53 HydrophobicContact CB-CG 4.2Å
33F81.6Confident82.4Confident78 Ų7884 Ų8434%0.34242%0.424SS..Hα-helixtrans-66.7-45.6176.6-173.3-97.2000112.1F29 M30 H31 S36 W37 M53F29-F33 VanDerWaalsContact O-CB 3.28Å; F29-F33 WeakPolarHBondContact O-CB 3.5Å; F29-F33 PolarHBondContact O-N 3.49Å; M30-F33 PolarHBondContact O-N 3.33Å; H31-F33 VanDerWaalsContact C-N 3.32Å; H31-F33 PolarHBondContact O-N 3.06Å; F33-S36 WeakPolarHBondContact O-CB 3.4Å; F33-S36 PolarHBondContact O-N 3.37Å; F33-W37 HydrophobicContact CE1-CE3 4.4Å; F33-W37 PolarHBondContact O-N 3.49Å; F33-M53 HydrophobicContact CB-CE 3.97Å; F33-M53 HydrophobicContact CD2-CE 3.99Å; F33-M53 HydrophobicContact CG-CE 4.47Å
34L84.1Confident81.4Confident104 Ų10487.6 Ų87.655%0.54543%0.433SS..Hα-helixtrans-61.5-43.7173.9-73.2166.4000111.6M30 H31 S36 W37 V38M30-L34 WeakPolarHBondContact O-CB 3.27Å; M30-L34 VanDerWaalsContact O-CG 3.26Å; M30-L34 WeakPolarHBondContact O-CG 3.42Å; M30-L34 PolarHBondContact O-N 3.49Å; H31-L34 PolarHBondContact O-N 2.88Å; L34-S36 VanDerWaalsContact C-N 3.29Å; L34-S36 PolarHBondContact O-N 3.43Å; L34-W37 WeakPolarHBondContact O-CB 3.39Å; L34-W37 PolarHBondContact O-N 3.32Å; L34-V38 WeakPolarHBondContact O-CG2 3.35Å; L34-V38 PolarHBondContact O-N 3.43Å; L34-V38 VanDerWaalsContact O-N 3.09Å
35A82.3Confident80.6Confident32 Ų3285.1 Ų85.126%0.26442%0.42SS..Hα-helixtrans-60.2-40.4174.200000111.3H31 A32 W37 V38 L39 V49H31-A35 VanDerWaalsContact O-CB 3.24Å; H31-A35 WeakPolarHBondContact O-CB 3.26Å; H31-A35 PolarHBondContact O-N 3.46Å; A32-A35 PolarHBondContact O-N 3.43Å; A35-W37 VanDerWaalsContact C-N 3.32Å; A35-W37 PolarHBondContact O-N 3.48Å; A35-V38 PolarHBondContact O-N 2.89Å; A35-L39 HydrophobicContact CB-CD1 4.14Å; A35-L39 WeakPolarHBondContact O-CB 3.47Å; A35-L39 WeakPolarHBondContact O-CD1 3.18Å; A35-L39 VanDerWaalsContact O-CG 3.23Å; A35-L39 WeakPolarHBondContact O-CG 3.43Å; A35-L39 PolarHBondContact O-N 3.17Å; A35-V49 HydrophobicContact CB-CG2 4.42Å
36S75.6Confident79.7Confident23 Ų2385.1 Ų85.116%0.16142%0.42CS..Hα-helixtrans-57.2-44.9174.1-157.20000112.2A32 F33 L34 L39 S40A32-S36 WeakPolarHBondContact O-CB 3.2Å; A32-S36 PolarHBondContact O-N 3.17Å; F33-S36 WeakPolarHBondContact O-CB 3.4Å; F33-S36 PolarHBondContact O-N 3.37Å; L34-S36 VanDerWaalsContact C-N 3.29Å; L34-S36 PolarHBondContact O-N 3.43Å; S36-L39 PolarHBondContact O-N 3.06Å; S36-S40 WeakPolarHBondContact O-CA 3.34Å; S36-S40 PolarHBondContact O-N 3.01Å
37W73.6Confident79.1Confident203 Ų20387.7 Ų87.777%0.76943%0.426SS*.Hα-helixtrans-62.1-50.5-180-166.4-34.8000110.2F33 L34 A35 L39F33-W37 HydrophobicContact CE1-CE3 4.4Å; F33-W37 PolarHBondContact O-N 3.49Å; L34-W37 WeakPolarHBondContact O-CB 3.39Å; L34-W37 PolarHBondContact O-N 3.32Å; A35-W37 VanDerWaalsContact C-N 3.32Å; A35-W37 PolarHBondContact O-N 3.48Å; W37-L39 VanDerWaalsContact C-N 3.35Å; W37-L39 PolarHBondContact O-N 2.85Å
38V80.6Confident78.6Confident118 Ų11890.3 Ų90.372%0.71543%0.431SS*.Hα-helixtrans-66.9-37.2-178.1177.50000111.8L34 A35L34-V38 WeakPolarHBondContact O-CG2 3.35Å; L34-V38 PolarHBondContact O-N 3.43Å; L34-V38 VanDerWaalsContact O-N 3.09Å; A35-V38 PolarHBondContact O-N 2.89Å
39L69.8Low78.2Confident54 Ų5487.3 Ų87.328%0.28342%0.417SS..THydrogen-bonded Turntrans-101.412.7-170.4-59.1164.6000113.5A35 S36 W37 Q41 F42 L45A35-L39 HydrophobicContact CB-CD1 4.14Å; A35-L39 WeakPolarHBondContact O-CB 3.47Å; A35-L39 WeakPolarHBondContact O-CD1 3.18Å; A35-L39 VanDerWaalsContact O-CG 3.23Å; A35-L39 WeakPolarHBondContact O-CG 3.43Å; A35-L39 PolarHBondContact O-N 3.17Å; S36-L39 PolarHBondContact O-N 3.06Å; W37-L39 VanDerWaalsContact C-N 3.35Å; W37-L39 PolarHBondContact O-N 2.85Å; L39-Q41 PolarHBondContact O-N 3.38Å; L39-F42 PolarHBondContact O-N 2.88Å; L39-L45 HydrophobicContact CB-CB 4.16Å; L39-L45 HydrophobicContact CB-CD1 4.1Å; L39-L45 HydrophobicContact CD1-CB 4.4Å; L39-L45 HydrophobicContact CD1-CD1 4.02Å; L39-L45 HydrophobicContact CD2-CD1 3.62Å; L39-L45 HydrophobicContact CG-CD1 4.11Å
40S67.4Low77.7Confident81 Ų8187 Ų8757%0.56642%0.415SS*.THydrogen-bonded Turntrans-52.1-23.5-176.6-178.20000113.7S36 F42S36-S40 WeakPolarHBondContact O-CA 3.34Å; S36-S40 PolarHBondContact O-N 3.01Å; S40-F42 VanDerWaalsContact C-N 3.34Å; S40-F42 PolarHBondContact O-N 3.48Å
41Q69.4Low77.6Confident174 Ų17489 Ų8981%0.81342%0.417SS*.THydrogen-bonded Turntrans-72.5-18.1179.6-61.3-173.9-12.100114.8L39L39-Q41 PolarHBondContact O-N 3.38Å
42F70.3Confident77.4Confident116 Ų11684.6 Ų84.651%0.50940%0.401SS..  trans-112.5112.7-174.4-61.4-78000112.2L39 S40 Y44 L45 R46L39-F42 PolarHBondContact O-N 2.88Å; S40-F42 VanDerWaalsContact C-N 3.34Å; S40-F42 PolarHBondContact O-N 3.48Å; F42-Y44 VanDerWaalsContact C-N 3.27Å; F42-Y44 PolarHBondContact O-N 3.29Å; F42-L45 HydrophobicContact CB-CB 4.11Å; F42-L45 HydrophobicContact CB-CD1 3.92Å; F42-L45 HydrophobicContact CB-CG 4.12Å; F42-L45 HydrophobicContact CD2-CD1 4Å; F42-L45 HydrophobicContact CG-CD1 4.16Å; F42-L45 PolarHBondContact O-N 3.49Å; F42-R46 PolarHBondContact O-N 3.25Å
43E71.7Confident77.4Confident91 Ų9184.8 Ų84.843%0.42540%0.4SS..Hα-helixtrans-54.4-39.5179.3-66.2-69.5121.500113.3R46 R47E43-R46 VanDerWaalsContact CD-NH1 3.26Å; E43-R46 PolarHBondContact O-N 3.12Å; E43-R46 IonicContact OE1-CZ 2.93Å; E43-R46 IonicContact OE1-NH1 2.64Å; E43-R46 PolarHBondContact OE1-NH1 2.81Å; E43-R46 IonicContact OE1-NH2 3.19Å; E43-R46 IonicContact OE2-CZ 3.4Å; E43-R46 IonicContact OE2-NH1 2.66Å; E43-R46 PolarHBondContact OE2-NH1 2.77Å; E43-R46 IonicContact OE2-NH2 3.66Å; E43-R46 PolarHBondContact OE2-NH2 3.35Å; E43-R47 PolarHBondContact O-N 3.09Å; E43-R47 VanDerWaalsContact O-N 3.14Å
44Y72.5Confident77.6Confident178 Ų17881.2 Ų81.270%0.69839%0.385SS*.Hα-helixtrans-66.9-46.2179.8-174.5-89000112.3F42 R46 R47 F48F42-Y44 VanDerWaalsContact C-N 3.27Å; F42-Y44 PolarHBondContact O-N 3.29Å; Y44-R46 VanDerWaalsContact C-N 3.28Å; Y44-R46 PolarHBondContact O-N 3.47Å; Y44-R47 PolarHBondContact O-N 3.46Å; Y44-F48 PolarHBondContact O-N 2.87Å
45L75.9Confident77.7Confident57 Ų5781.1 Ų81.130%0.29839%0.389SS..Hα-helixtrans-66.9-35.5179.5-67.8174.4000110.8L39 F42 R47 F48 V49L39-L45 HydrophobicContact CB-CB 4.16Å; L39-L45 HydrophobicContact CB-CD1 4.1Å; L39-L45 HydrophobicContact CD1-CB 4.4Å; L39-L45 HydrophobicContact CD1-CD1 4.02Å; L39-L45 HydrophobicContact CD2-CD1 3.62Å; L39-L45 HydrophobicContact CG-CD1 4.11Å; F42-L45 HydrophobicContact CB-CB 4.11Å; F42-L45 HydrophobicContact CB-CD1 3.92Å; F42-L45 HydrophobicContact CB-CG 4.12Å; F42-L45 HydrophobicContact CD2-CD1 4Å; F42-L45 HydrophobicContact CG-CD1 4.16Å; F42-L45 PolarHBondContact O-N 3.49Å; L45-R47 PolarHBondContact O-N 2.9Å; L45-F48 WeakPolarHBondContact O-CB 3.27Å; L45-F48 PolarHBondContact O-N 2.85Å; L45-V49 WeakPolarHBondContact O-CB 3.24Å; L45-V49 VanDerWaalsContact O-CG2 3.28Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 3.42Å
46R74Confident78.1Confident27 Ų2780.2 Ų80.210%0.10238%0.38CS..Hα-helixtrans-59.6-45.3173-164.9-173.671.5-153.3-8.1112.3F42 E43 Y44 F48 V49 L50 W106 K107F42-R46 PolarHBondContact O-N 3.25Å; E43-R46 VanDerWaalsContact CD-NH1 3.26Å; E43-R46 PolarHBondContact O-N 3.12Å; E43-R46 IonicContact OE1-CZ 2.93Å; E43-R46 IonicContact OE1-NH1 2.64Å; E43-R46 PolarHBondContact OE1-NH1 2.81Å; E43-R46 IonicContact OE1-NH2 3.19Å; E43-R46 IonicContact OE2-CZ 3.4Å; E43-R46 IonicContact OE2-NH1 2.66Å; E43-R46 PolarHBondContact OE2-NH1 2.77Å; E43-R46 IonicContact OE2-NH2 3.66Å; E43-R46 PolarHBondContact OE2-NH2 3.35Å; Y44-R46 VanDerWaalsContact C-N 3.28Å; Y44-R46 PolarHBondContact O-N 3.47Å; R46-F48 VanDerWaalsContact C-N 3.32Å; R46-F48 PolarHBondContact O-N 3.44Å; R46-V49 PolarHBondContact O-N 3.4Å; R46-L50 WeakPolarHBondContact O-CB 3.5Å; R46-L50 PolarHBondContact O-N 2.82Å; R46-W106 VanDerWaalsContact CD-CZ3 3.49Å; R46-W106 HydrophobicContact CG-CE3 4Å; R46-W106 HydrophobicContact CG-CZ3 3.59Å; R46-K107 VanDerWaalsContact NH2-CE 3.27Å
47R78Confident78.7Confident106 Ų10679.1 Ų79.140%0.437%0.372SS..Hα-helixtrans-62.4-40174.4-73.2-177.3-179.5158.33.4111.8E43 Y44 L45 L50 R51 D95E43-R47 PolarHBondContact O-N 3.09Å; E43-R47 VanDerWaalsContact O-N 3.14Å; Y44-R47 PolarHBondContact O-N 3.46Å; L45-R47 PolarHBondContact O-N 2.9Å; R47-L50 PolarHBondContact O-N 3.5Å; R47-R51 WeakPolarHBondContact O-CG 3.28Å; R47-R51 PolarHBondContact O-N 3.47Å; R47-D95 IonicContact CZ-OD1 2.59Å; R47-D95 IonicContact CZ-OD2 2.75Å; R47-D95 VanDerWaalsContact NE-CG 3.35Å; R47-D95 IonicContact NE-OD1 3.07Å; R47-D95 PolarHBondContact NE-OD1 3.45Å; R47-D95 IonicContact NE-OD2 3.02Å; R47-D95 PolarHBondContact NE-OD2 3.44Å; R47-D95 IonicContact NH2-OD1 3.3Å; R47-D95 IonicContact NH2-OD2 3.25Å; R47-D95 PolarHBondContact NH2-OD2 2.98Å
48F81.4Confident79.4Confident131 Ų13169.7 Ų69.758%0.57534%0.338SS*.Hα-helixtrans-62.5-46.9176-179.7-94.6000111.9Y44 L45 R46 L50 R51 S52Y44-F48 PolarHBondContact O-N 2.87Å; L45-F48 WeakPolarHBondContact O-CB 3.27Å; L45-F48 PolarHBondContact O-N 2.85Å; R46-F48 VanDerWaalsContact C-N 3.32Å; R46-F48 PolarHBondContact O-N 3.44Å; F48-L50 VanDerWaalsContact C-N 3.35Å; F48-L50 PolarHBondContact O-N 3.05Å; F48-R51 WeakPolarHBondContact O-CB 3.46Å; F48-R51 PolarHBondContact O-N 3.38Å; F48-S52 PolarHBondContact O-N 3.14Å
49V82.8Confident79.9Confident9 Ų964.8 Ų64.86%0.05531%0.307CS..Hα-helixtrans-60.8-44.3176.31690000110.9A32 A35 L45 R46 R51 S52 M53A32-V49 HydrophobicContact CB-CG1 4.43Å; A32-V49 VanDerWaalsContact O-CG1 3.27Å; A32-V49 WeakPolarHBondContact O-CG1 3.36Å; A35-V49 HydrophobicContact CB-CG2 4.42Å; L45-V49 WeakPolarHBondContact O-CB 3.24Å; L45-V49 VanDerWaalsContact O-CG2 3.28Å; L45-V49 WeakPolarHBondContact O-CG2 3.32Å; L45-V49 PolarHBondContact O-N 3.42Å; R46-V49 PolarHBondContact O-N 3.4Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.19Å; V49-S52 CarbonylContact O-C 3.51Å; V49-S52 WeakPolarHBondContact O-CB 3.15Å; V49-S52 PolarHBondContact O-N 3.3Å; V49-S52 VanDerWaalsContact O-N 3.15Å; V49-M53 HydrophobicContact CG1-CE 3.71Å; V49-M53 HydrophobicContact CG1-CG 4.34Å; V49-M53 HydrophobicContact CG1-SD 4.14Å; V49-M53 WeakPolarHBondContact O-CG 3.18Å; V49-M53 PolarHBondContact O-N 3.41Å
50L80.2Confident80.8Confident4 Ų465.2 Ų65.22%0.02131%0.312CS..Hα-helixtrans-62.4-41.7177.9-174.664.6000112R46 R47 F48 S52 M53 C54 L88 C91 L92 W106R46-L50 WeakPolarHBondContact O-CB 3.5Å; R46-L50 PolarHBondContact O-N 2.82Å; R47-L50 PolarHBondContact O-N 3.5Å; F48-L50 VanDerWaalsContact C-N 3.35Å; F48-L50 PolarHBondContact O-N 3.05Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-M53 PolarHBondContact O-N 3.34Å; L50-C54 PolarHBondContact O-N 3.34Å; L50-C54 PolarHBondContact O-SG 3.41Å; L50-C54 VanDerWaalsContact O-SG 3.37Å; L50-L88 HydrophobicContact CD1-CD1 3.18Å; L50-L88 HydrophobicContact CD1-CD2 4.4Å; L50-L88 HydrophobicContact CD1-CG 3.56Å; L50-C91 HydrophobicContact CD2-CB 4.24Å; L50-L92 HydrophobicContact CB-CD1 4.24Å; L50-L92 VanDerWaalsContact CD2-CA 3.47Å; L50-L92 HydrophobicContact CD2-CB 3.68Å; L50-L92 HydrophobicContact CD2-CD1 3.92Å; L50-L92 HydrophobicContact CD2-CG 4.42Å; L50-L92 HydrophobicContact CG-CB 4.06Å; L50-L92 HydrophobicContact CG-CD1 3.93Å; L50-W106 HydrophobicContact CD1-CH2 4.1Å; L50-W106 HydrophobicContact CD1-CZ2 3.78Å; L50-W106 HydrophobicContact CD2-CH2 3.59Å; L50-W106 HydrophobicContact CD2-CZ2 3.87Å; L50-W106 HydrophobicContact CG-CH2 4.36Å; L50-W106 HydrophobicContact CG-CZ2 4.45Å
51R84.9Confident81.9Confident147 Ų14763.7 Ų63.756%0.55530%0.299SS*.Hα-helixtrans-59.5-47.6172.1-75.2-176.7179.1150.40.3110.8R47 F48 V49 M53 C54 T55 L92R47-R51 WeakPolarHBondContact O-CG 3.28Å; R47-R51 PolarHBondContact O-N 3.47Å; F48-R51 WeakPolarHBondContact O-CB 3.46Å; F48-R51 PolarHBondContact O-N 3.38Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.19Å; R51-M53 PolarHBondContact O-N 2.95Å; R51-C54 PolarHBondContact O-N 2.92Å; R51-T55 WeakPolarHBondContact O-CB 3.23Å; R51-T55 PolarHBondContact O-N 3.3Å; R51-T55 PolarHBondContact O-OG1 2.94Å; R51-L92 HydrophobicContact CB-CD1 4.29Å; R51-L92 HydrophobicContact CG-CD1 3.28Å; R51-L92 HydrophobicContact CG-CD2 4.24Å; R51-L92 HydrophobicContact CG-CG 4.32Å
52S84.3Confident82.9Confident35 Ų3561.2 Ų61.225%0.24528%0.283CS..Hα-helixtrans-57.6-47.6176.8-175.60000111.3F48 V49 L50 C54 T55 V56F48-S52 PolarHBondContact O-N 3.14Å; V49-S52 CarbonylContact O-C 3.51Å; V49-S52 WeakPolarHBondContact O-CB 3.15Å; V49-S52 PolarHBondContact O-N 3.3Å; V49-S52 VanDerWaalsContact O-N 3.15Å; L50-S52 VanDerWaalsContact C-N 3.34Å; S52-C54 PolarHBondContact O-N 3.37Å; S52-T55 PolarHBondContact O-N 3.15Å; S52-V56 WeakPolarHBondContact O-CB 3.46Å; S52-V56 WeakPolarHBondContact O-CG2 3.44Å; S52-V56 PolarHBondContact O-N 3.48Å
53M84.4Confident83.8Confident12 Ų1258.7 Ų58.76%0.05927%0.274CS..Hα-helixtrans-58.7-48.9176.7-72.5179.8173.600112F29 A32 F33 V49 L50 R51 T55 V56 L57F29-M53 HydrophobicContact CD2-CG 4.23Å; F29-M53 HydrophobicContact CE2-CB 4.14Å; F29-M53 HydrophobicContact CE2-CG 3.87Å; F29-M53 HydrophobicContact CE2-SD 4.27Å; A32-M53 HydrophobicContact CB-CE 4.43Å; A32-M53 HydrophobicContact CB-CG 4.2Å; F33-M53 HydrophobicContact CB-CE 3.97Å; F33-M53 HydrophobicContact CD2-CE 3.99Å; F33-M53 HydrophobicContact CG-CE 4.47Å; V49-M53 HydrophobicContact CG1-CE 3.71Å; V49-M53 HydrophobicContact CG1-CG 4.34Å; V49-M53 HydrophobicContact CG1-SD 4.14Å; V49-M53 WeakPolarHBondContact O-CG 3.18Å; V49-M53 PolarHBondContact O-N 3.41Å; L50-M53 PolarHBondContact O-N 3.34Å; R51-M53 PolarHBondContact O-N 2.95Å; M53-T55 VanDerWaalsContact C-N 3.35Å; M53-T55 PolarHBondContact O-N 3.32Å; M53-V56 PolarHBondContact O-N 3.05Å; M53-L57 WeakPolarHBondContact O-CB 3.28Å; M53-L57 VanDerWaalsContact O-CG 3.23Å; M53-L57 WeakPolarHBondContact O-CG 3.39Å; M53-L57 PolarHBondContact O-N 3.35Å
54C85.9Confident84.6Confident4 Ų455.9 Ų55.93%0.02726%0.262CS..Hα-helixtrans-60.6-42.8177-71.10000112.1L50 R51 S52 L57 G58 F59 L88 L92L50-C54 PolarHBondContact O-N 3.34Å; L50-C54 PolarHBondContact O-SG 3.41Å; L50-C54 VanDerWaalsContact O-SG 3.37Å; R51-C54 PolarHBondContact O-N 2.92Å; S52-C54 PolarHBondContact O-N 3.37Å; C54-L57 PolarHBondContact O-N 2.72Å; C54-G58 PolarHBondContact O-N 3.27Å; C54-F59 HydrophobicContact CB-CB 4.31Å; C54-F59 HydrophobicContact CB-CD2 4.06Å; C54-F59 WeakPolarHBondContact O-CB 3.44Å; C54-F59 PolarHBondContact O-N 3.27Å; C54-L88 VanDerWaalsContact SG-CD2 3.58Å; C54-L92 HydrophobicContact CB-CD2 4.1Å
55T87.2Confident85Confident102 Ų10250.5 Ų50.563%0.62625%0.25SS*.Hα-helixtrans-64.5-42.5176.7-58.70000111.8R51 S52 M53 L57 G58R51-T55 WeakPolarHBondContact O-CB 3.23Å; R51-T55 PolarHBondContact O-N 3.3Å; R51-T55 PolarHBondContact O-OG1 2.94Å; S52-T55 PolarHBondContact O-N 3.15Å; M53-T55 VanDerWaalsContact C-N 3.35Å; M53-T55 PolarHBondContact O-N 3.32Å; T55-L57 VanDerWaalsContact C-N 3.31Å; T55-L57 PolarHBondContact O-N 2.98Å; T55-G58 WeakPolarHBondContact O-CA 3.37Å; T55-G58 PolarHBondContact O-N 2.84Å
56V89.6Confident85Confident13 Ų1354.8 Ų54.88%0.07927%0.273CS..Hα-helixtrans-65.9-36.1178172.80000111.2R25 I28 F29 S52 M53 G58 F193R25-V56 HydrophobicContact CB-CG1 3.75Å; R25-V56 WeakPolarHBondContact CD-O 3.3Å; R25-V56 HydrophobicContact CG-CG1 4.02Å; R25-V56 WeakPolarHBondContact CG-O 3.47Å; R25-V56 PolarHBondContact NE-O 2.96Å; R25-V56 VanDerWaalsContact O-CG1 3.22Å; R25-V56 WeakPolarHBondContact O-CG1 3.26Å; I28-V56 HydrophobicContact CB-CG1 4.42Å; I28-V56 HydrophobicContact CB-CG2 3.95Å; I28-V56 HydrophobicContact CG2-CG2 3.39Å; F29-V56 HydrophobicContact CB-CG1 3.96Å; S52-V56 WeakPolarHBondContact O-CB 3.46Å; S52-V56 WeakPolarHBondContact O-CG2 3.44Å; S52-V56 PolarHBondContact O-N 3.48Å; M53-V56 PolarHBondContact O-N 3.05Å; V56-G58 PolarHBondContact O-N 3.16Å; V56-F193 HydrophobicContact CG1-CE1 4.1Å
57L88.6Confident85.2Confident0 Ų057.3 Ų57.30%029%0.289CS..THydrogen-bonded Turntrans-70.8-6.5172-67.8169.5000113M53 C54 T55 F59 L88 L189 Q192 F193M53-L57 WeakPolarHBondContact O-CB 3.28Å; M53-L57 VanDerWaalsContact O-CG 3.23Å; M53-L57 WeakPolarHBondContact O-CG 3.39Å; M53-L57 PolarHBondContact O-N 3.35Å; C54-L57 PolarHBondContact O-N 2.72Å; T55-L57 VanDerWaalsContact C-N 3.31Å; T55-L57 PolarHBondContact O-N 2.98Å; L57-F59 HydrophobicContact CB-CD1 4.04Å; L57-F59 HydrophobicContact CB-CD2 4.02Å; L57-F59 HydrophobicContact CB-CE1 3.93Å; L57-F59 HydrophobicContact CB-CE2 3.83Å; L57-F59 HydrophobicContact CB-CG 4.13Å; L57-F59 HydrophobicContact CB-CZ 3.79Å; L57-F59 HydrophobicContact CD1-CD2 4.25Å; L57-F59 HydrophobicContact CD1-CE2 3.51Å; L57-F59 HydrophobicContact CD1-CZ 3.82Å; L57-F59 HydrophobicContact CG-CE2 4.31Å; L57-F59 HydrophobicContact CG-CZ 4.36Å; L57-L88 HydrophobicContact CD1-CD2 3.82Å; L57-L189 HydrophobicContact CD2-CD1 3.59Å; L57-Q192 HydrophobicContact CB-CG 4.02Å; L57-Q192 HydrophobicContact CD2-CB 4.26Å; L57-Q192 HydrophobicContact CD2-CG 3.79Å; L57-Q192 HydrophobicContact CG-CG 4.44Å; L57-Q192 PolarHBondContact O-NE2 3.42Å; L57-F193 HydrophobicContact CD2-CD1 4.04Å; L57-F193 HydrophobicContact CD2-CE1 3.63Å; L57-F193 HydrophobicContact CD2-CZ 4.08Å
58G88.3Confident85.2Confident4 Ų455.5 Ų55.54%0.04128%0.282CS..THydrogen-bonded Turntrans74.427.5-17900000113.3C54 T55 V56 F197 T198C54-G58 PolarHBondContact O-N 3.27Å; T55-G58 WeakPolarHBondContact O-CA 3.37Å; T55-G58 PolarHBondContact O-N 2.84Å; V56-G58 PolarHBondContact O-N 3.16Å; G58-F197 CarbonylContact O-C 3.57Å; G58-F197 VanDerWaalsContact O-CA 3.29Å; G58-F197 WeakPolarHBondContact O-CA 3.28Å; G58-T198 PolarHBondContact O-N 3.43Å
59F91Very high84.7Confident15 Ų1550.8 Ų50.87%0.06626%0.264CS..EExtended strand (participates in β ladder)trans-79.8122.6178.3-61-21.8000111C54 L57 V61 F85 L88 V89 Q192 T198 Y200C54-F59 HydrophobicContact CB-CB 4.31Å; C54-F59 HydrophobicContact CB-CD2 4.06Å; C54-F59 WeakPolarHBondContact O-CB 3.44Å; C54-F59 PolarHBondContact O-N 3.27Å; L57-F59 HydrophobicContact CB-CD1 4.04Å; L57-F59 HydrophobicContact CB-CD2 4.02Å; L57-F59 HydrophobicContact CB-CE1 3.93Å; L57-F59 HydrophobicContact CB-CE2 3.83Å; L57-F59 HydrophobicContact CB-CG 4.13Å; L57-F59 HydrophobicContact CB-CZ 3.79Å; L57-F59 HydrophobicContact CD1-CD2 4.25Å; L57-F59 HydrophobicContact CD1-CE2 3.51Å; L57-F59 HydrophobicContact CD1-CZ 3.82Å; L57-F59 HydrophobicContact CG-CE2 4.31Å; L57-F59 HydrophobicContact CG-CZ 4.36Å; F59-V61 HydrophobicContact CB-CG2 4.44Å; F59-F85 HydrophobicContact CE2-CB 3.77Å; F59-F85 HydrophobicContact CE2-CG 4.26Å; F59-F85 HydrophobicContact CZ-CB 3.56Å; F59-F85 AromaticContact CZ-CD2 3.87Å; F59-F85 HydrophobicContact CZ-CD2 3.87Å; F59-F85 AromaticContact CZ-CG 3.76Å; F59-F85 HydrophobicContact CZ-CG 3.76Å; F59-L88 HydrophobicContact CE2-CD2 4.03Å; F59-V89 HydrophobicContact CD2-CG2 4.14Å; F59-Q192 HydrophobicContact CE1-CG 3.7Å; F59-Q192 HydrophobicContact CZ-CG 3.99Å; F59-T198 WeakPolarHBondContact CA-O 3.48Å; F59-Y200 HydrophobicContact CB-CD2 4.25Å; F59-Y200 HydrophobicContact CB-CE2 4.19Å; F59-Y200 HydrophobicContact CD1-CD2 4.27Å; F59-Y200 AromaticContact CD1-CE2 3.43Å; F59-Y200 HydrophobicContact CD1-CE2 3.43Å; F59-Y200 VanDerWaalsContact CD1-CE2 3.43Å; F59-Y200 HydrophobicContact CD2-CE2 4.31Å; F59-Y200 AromaticContact CE1-CE2 3.68Å; F59-Y200 HydrophobicContact CE1-CE2 3.68Å; F59-Y200 WeakPolarHBondContact CE1-OH 3.34Å; F59-Y200 HydrophobicContact CG-CD2 4.29Å; F59-Y200 AromaticContact CG-CE2 3.74Å; F59-Y200 HydrophobicContact CG-CE2 3.74Å; F59-Y200 HydrophobicContact CZ-CE2 4.29Å
60V90Very high84Confident64 Ų6456 Ų5639%0.38829%0.292SS..EExtended strand (participates in β ladder)trans-107.5108.3170.8-178.50000106.7F197 T198 Y199 Y200V60-F197 HydrophobicContact CG2-CB 4.5Å; V60-F197 HydrophobicContact CG2-CD1 3.95Å; V60-T198 PolarHBondContact N-O 3.44Å; V60-Y199 HydrophobicContact CB-CD2 4.1Å; V60-Y199 HydrophobicContact CG1-CD2 3.82Å; V60-Y199 HydrophobicContact CG1-CE2 4.13Å; V60-Y199 CarbonylContact O-C 3.59Å; V60-Y199 WeakPolarHBondContact O-CA 3.37Å; V60-Y200 PolarHBondContact O-N 3.27Å
61V89.8Confident83.3Confident48 Ų4864.6 Ų64.629%0.29132%0.324SS..EExtended strand (participates in β ladder)trans-103.6123.3-174.5-172.90000109.2F59 I63 V89 Y200 V202F59-V61 HydrophobicContact CB-CG2 4.44Å; V61-I63 HydrophobicContact CG1-CD1 4.41Å; V61-I63 HydrophobicContact CG1-CG1 3.93Å; V61-V89 HydrophobicContact CB-CG1 4.37Å; V61-V89 HydrophobicContact CG1-CG1 3.64Å; V61-V89 HydrophobicContact CG2-CG1 3.74Å; V61-V89 HydrophobicContact CG2-CG2 4.34Å; V61-Y200 WeakPolarHBondContact CA-O 3.25Å; V61-V202 HydrophobicContact CG1-CG2 4.02Å
62Y90.6Very high82Confident122 Ų12264.2 Ų64.248%0.47833%0.333SS..EExtended strand (participates in β ladder)trans-111.5129.2169.6-179.2-91.7000108.9D64 Y199 Y200 H201 V202Y62-D64 HydrophobicContact CE1-CB 4.29Å; Y62-Y199 WeakPolarHBondContact CB-OH 3.5Å; Y62-Y200 PolarHBondContact N-O 2.91Å; Y62-H201 AromaticContact CD1-CD2 3.27Å; Y62-H201 WeakPolarHBondContact CD1-CD2 3.35Å; Y62-H201 AromaticContact CD1-NE2 3.49Å; Y62-H201 WeakPolarHBondContact CD1-NE2 3.37Å; Y62-H201 AromaticContact CE1-CD2 3.82Å; Y62-H201 AromaticContact CE1-NE2 3.55Å; Y62-V202 PolarHBondContact O-N 3.46Å
63I89.7Confident81.2Confident64 Ų6465.5 Ų65.533%0.32834%0.339SS..EExtended strand (participates in β ladder)trans-117.3116.9-175.5-56.4175.1000108.4V61 S93 V202 Y204V61-I63 HydrophobicContact CG1-CD1 4.41Å; V61-I63 HydrophobicContact CG1-CG1 3.93Å; I63-S93 WeakPolarHBondContact CD1-OG 3.48Å; I63-V202 WeakPolarHBondContact CA-O 3.47Å; I63-V202 HydrophobicContact CG1-CB 4.41Å; I63-Y204 HydrophobicContact CG2-CD2 4.17Å; I63-Y204 HydrophobicContact CG2-CE2 3.54Å
64D88.5Confident80.6Confident31 Ų3165.7 Ų65.717%0.16634%0.341CS..EExtended strand (participates in β ladder)trans-93.399.1170.7179.7-2000108.3Y62 D66 V202 K203 Y204Y62-D64 HydrophobicContact CE1-CB 4.29Å; D64-D66 PolarHBondContact OD1-N 3.04Å; D64-V202 PolarHBondContact N-O 3.43Å; D64-K203 HydrophobicContact CB-CB 4.35Å; D64-K203 HydrophobicContact CB-CG 4.27Å; D64-Y204 WeakPolarHBondContact O-CD2 3.27Å; D64-Y204 PolarHBondContact O-N 2.93Å
65S79.7Confident80.4Confident66 Ų6666.1 Ų66.146%0.46234%0.343SS..  trans-97.49.1-172.358.80000114.6L67 R68S65-L67 PolarHBondContact O-N 3.05Å; S65-R68 WeakPolarHBondContact O-CB 3.26Å; S65-R68 PolarHBondContact O-N 2.67Å; S65-R68 VanDerWaalsContact O-N 3.08Å
66D76.2Confident80.4Confident146 Ų14661.8 Ų61.878%0.78132%0.317SS*.THydrogen-bonded Turntrans-60.3-33.3-170.1-73.1-8.1000113.5D64D64-D66 PolarHBondContact OD1-N 3.04Å
67L77.9Confident80.3Confident81 Ų8162 Ų6242%0.42432%0.317SS..THydrogen-bonded Turntrans-104.910.3-179.1-64.2169.5000113.3S65 T69S65-L67 PolarHBondContact O-N 3.05Å; L67-T69 PolarHBondContact O-N 2.81Å
68R77.2Confident80.5Confident67 Ų6762 Ų6225%0.25332%0.317SS..PPolyproline II helixtrans-70.1126.7-175.3-178.2-172.2151.2147.616.2110.2S65 E94 Y204S65-R68 WeakPolarHBondContact O-CB 3.26Å; S65-R68 PolarHBondContact O-N 2.67Å; S65-R68 VanDerWaalsContact O-N 3.08Å; R68-E94 VanDerWaalsContact CZ-CD 3.5Å; R68-E94 IonicContact CZ-OE1 3.17Å; R68-E94 IonicContact CZ-OE2 2.71Å; R68-E94 IonicContact NE-OE1 3.05Å; R68-E94 IonicContact NH1-OE1 3.07Å; R68-E94 PolarHBondContact NH1-OE1 3.18Å; R68-E94 IonicContact NH1-OE2 3.18Å; R68-E94 PolarHBondContact NH1-OE2 3.37Å; R68-E94 IonicContact NH2-OE1 2.77Å; R68-E94 PolarHBondContact NH2-OE1 2.7Å; R68-E94 IonicContact NH2-OE2 2.73Å; R68-E94 PolarHBondContact NH2-OE2 2.92Å; R68-Y204 HydrophobicContact CB-CD2 4.18Å; R68-Y204 HydrophobicContact CB-CG 4.14Å; R68-Y204 HydrophobicContact CG-CD2 4.38Å; R68-Y204 HydrophobicContact CG-CG 4.34Å
69T72.3Confident80.6Confident33 Ų3361.9 Ų61.920%0.20232%0.315CS..PPolyproline II helixtrans-64.1150172.6-52.10000111.5L67 R71 T73 M75 Q164 P207L67-T69 PolarHBondContact O-N 2.81Å; T69-R71 PolarHBondContact O-N 2.96Å; T69-T73 HydrophobicContact CG2-CG2 4.11Å; T69-T73 VanDerWaalsContact CG2-OG1 3.23Å; T69-T73 WeakPolarHBondContact CG2-OG1 3.18Å; T69-M75 HydrophobicContact CG2-CE 4.12Å; T69-M75 VanDerWaalsContact OG1-CE 3.29Å; T69-M75 WeakPolarHBondContact OG1-CE 3.45Å; T69-Q164 PolarHBondContact OG1-OE1 3.36Å; T69-P207 WeakPolarHBondContact OG1-CG 3.19Å
70D67.6Low80.7Confident118 Ų11861.2 Ų61.263%0.63131%0.312SS*.PPolyproline II helixtrans-52.2139.4175.4-167.912.1000111.8N72 T73D70-N72 PolarHBondContact O-N 3.49Å; D70-T73 PolarHBondContact O-N 3.48Å; D70-T73 VanDerWaalsContact O-N 3.16Å; D70-T73 PolarHBondContact O-OG1 3.24Å
71R65.4Low80.7Confident184 Ų18459.3 Ų59.369%0.69430%0.298SS*.THydrogen-bonded Turntrans-55.8-21.4-177.8-86.9-179.1161.5178.5-7.3113.2T69 T73T69-R71 PolarHBondContact O-N 2.96Å; R71-T73 PolarHBondContact O-N 3.32Å
72N58.8Low80.6Confident139 Ų13957 Ų5774%0.74328%0.284SS*.THydrogen-bonded Turntrans-75-5.8-176.9-129.534.7000114.1D70D70-N72 PolarHBondContact O-N 3.49Å
73T67.2Low80.5Confident63 Ų6351.2 Ų51.239%0.38726%0.262SS..  trans-97.4116.8176.160.20000110.3T69 D70 R71 M75T69-T73 HydrophobicContact CG2-CG2 4.11Å; T69-T73 VanDerWaalsContact CG2-OG1 3.23Å; T69-T73 WeakPolarHBondContact CG2-OG1 3.18Å; D70-T73 PolarHBondContact O-N 3.48Å; D70-T73 VanDerWaalsContact O-N 3.16Å; D70-T73 PolarHBondContact O-OG1 3.24Å; R71-T73 PolarHBondContact O-N 3.32Å; T73-M75 PolarHBondContact O-N 2.8Å
74C70.8Confident80.2Confident15 Ų1549 Ų4910%0.10125%0.251CS..  trans-74.757.7171.5-1760000110.8C126 H131C74-C126 PolarHBondContact SG-O 2.97Å; C74-C126 VanDerWaalsContact SG-O 3.41Å; C74-H131 PolarHBondContact SG-O 3.29Å
75M81.5Confident80.2Confident14 Ų1447.8 Ų47.87%0.06924%0.244CC..PPolyproline II helixtrans-89.8132.8179.6179.6163.561.200109.8T69 T73 K162 Q164 P207T69-M75 HydrophobicContact CG2-CE 4.12Å; T69-M75 VanDerWaalsContact OG1-CE 3.29Å; T69-M75 WeakPolarHBondContact OG1-CE 3.45Å; T73-M75 PolarHBondContact O-N 2.8Å; M75-K162 HydrophobicContact SD-CB 4.23Å; M75-K162 HydrophobicContact SD-CD 3.77Å; M75-K162 HydrophobicContact SD-CG 3.56Å; M75-K162 VanDerWaalsContact SD-CG 3.56Å; M75-Q164 HydrophobicContact CE-CB 3.47Å; M75-Q164 VanDerWaalsContact CE-CB 3.47Å; M75-Q164 HydrophobicContact CE-CG 4Å; M75-Q164 HydrophobicContact CG-CB 4.13Å; M75-Q164 HydrophobicContact SD-CB 4.19Å; M75-P207 HydrophobicContact CE-CB 3.75Å; M75-P207 HydrophobicContact CE-CG 3.65Å; M75-P207 HydrophobicContact SD-CB 4.02Å
76P86.9Confident80.6Confident10 Ų1044.6 Ų44.67%0.06522%0.222CC..PPolyproline II helixtrans-67.5136.1175.826.2-33.5000111.5V123 V134 L136 V160 K162 V163 Q164P76-V123 HydrophobicContact CB-CG1 4.04Å; P76-V123 HydrophobicContact CG-CG1 3.94Å; P76-V134 CarbonylContact C-O 3.41Å; P76-V134 VanDerWaalsContact CA-O 3.23Å; P76-V134 WeakPolarHBondContact CA-O 3.5Å; P76-V134 HydrophobicContact CB-CB 4.35Å; P76-L136 HydrophobicContact CB-CD1 4.16Å; P76-V160 HydrophobicContact CG-CG1 3.48Å; P76-V160 VanDerWaalsContact CG-CG1 3.48Å; P76-K162 WeakPolarHBondContact CD-O 3.47Å; P76-V163 HydrophobicContact CG-CG1 4.24Å; P76-Q164 PolarHBondContact O-N 3.47Å
77F89Confident81Confident19 Ų1937.9 Ų37.98%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-85.1131.8171.3-64.4-75000110E94 P133 V134 H135 L136 Q164 V166 Y204F77-E94 HydrophobicContact CE2-CB 3.89Å; F77-E94 HydrophobicContact CE2-CG 3.91Å; F77-E94 HydrophobicContact CZ-CB 4.33Å; F77-E94 HydrophobicContact CZ-CG 3.9Å; F77-P133 HydrophobicContact CD2-CB 3.85Å; F77-P133 HydrophobicContact CD2-CG 4.21Å; F77-P133 HydrophobicContact CE2-CB 3.56Å; F77-P133 HydrophobicContact CE2-CG 3.62Å; F77-V134 PolarHBondContact N-O 3.24Å; F77-H135 WeakPolarHBondContact O-CA 3.37Å; F77-L136 PolarHBondContact O-N 3.47Å; F77-Q164 WeakPolarHBondContact CA-O 3.3Å; F77-Q164 HydrophobicContact CD1-CB 3.6Å; F77-Q164 HydrophobicContact CD1-CG 3.44Å; F77-Q164 VanDerWaalsContact CD1-CG 3.44Å; F77-Q164 HydrophobicContact CE1-CB 3.95Å; F77-Q164 HydrophobicContact CE1-CG 3.46Å; F77-Q164 VanDerWaalsContact CE1-CG 3.46Å; F77-Q164 HydrophobicContact CG-CB 4.46Å; F77-V166 HydrophobicContact CB-CG2 4.2Å; F77-V166 HydrophobicContact CD1-CG2 3.75Å; F77-V166 HydrophobicContact CG-CG2 4.39Å; F77-Y204 HydrophobicContact CD1-CD1 4.38Å; F77-Y204 AromaticContact CD1-CE1 3.95Å; F77-Y204 HydrophobicContact CD1-CE1 3.95Å; F77-Y204 HydrophobicContact CE1-CD1 4.07Å; F77-Y204 AromaticContact CE1-CE1 3.6Å; F77-Y204 HydrophobicContact CE1-CE1 3.6Å; F77-Y204 HydrophobicContact CZ-CE1 4.42Å
78V91.5Very high81.3Confident0 Ų034.1 Ų34.10%017%0.166CC..EExtended strand (participates in β ladder)trans-116.4120174.8177.90000107.7L136 P138 F152 F157 V163 Q164 P165 V166 V223 I227V78-L136 HydrophobicContact CG2-CB 4.26Å; V78-L136 HydrophobicContact CG2-CD1 4.21Å; V78-P138 HydrophobicContact CG1-CG 3.96Å; V78-F152 HydrophobicContact CG1-CE2 4.3Å; V78-F157 HydrophobicContact CG1-CE1 4.16Å; V78-F157 HydrophobicContact CG1-CZ 3.81Å; V78-F157 HydrophobicContact CG2-CE1 3.86Å; V78-F157 HydrophobicContact CG2-CZ 4.25Å; V78-V163 HydrophobicContact CG2-CB 3.84Å; V78-V163 HydrophobicContact CG2-CG1 3.81Å; V78-V163 HydrophobicContact CG2-CG2 4.42Å; V78-Q164 PolarHBondContact N-O 3.31Å; V78-P165 CarbonylContact O-C 3.56Å; V78-P165 WeakPolarHBondContact O-CA 3.47Å; V78-V166 PolarHBondContact O-N 3.19Å; V78-V223 HydrophobicContact CB-CG1 4.31Å; V78-V223 HydrophobicContact CG1-CG1 3.9Å; V78-I227 HydrophobicContact CG1-CD1 4.38Å
79S91.9Very high81.7Confident0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-124.8161176.579.30000112.4H135 L136 L137 P138 V166S79-H135 PolarHBondContact OG-NE2 3.25Å; S79-L136 PolarHBondContact N-O 3.37Å; S79-L137 VanDerWaalsContact OG-CD2 3.29Å; S79-L137 WeakPolarHBondContact OG-CD2 3.5Å; S79-P138 WeakPolarHBondContact O-CD 3.48Å; S79-V166 VanDerWaalsContact CA-O 3.25Å; S79-V166 WeakPolarHBondContact CA-O 3.49Å; S79-V166 WeakPolarHBondContact CB-O 3.36Å
80N92.6Very high82.3Confident2 Ų229.4 Ų29.41%0.01114%0.144CC..  trans-64.9162160.961.7-55.8000111.1V82 L137 E139 L149 L168 I227N80-V82 WeakPolarHBondContact ND2-CG2 3.35Å; N80-L137 WeakPolarHBondContact O-CD2 3.44Å; N80-E139 WeakPolarHBondContact CA-OE1 3.22Å; N80-E139 WeakPolarHBondContact CB-OE1 3.47Å; N80-L149 HydrophobicContact CB-CD1 3.3Å; N80-L168 PolarHBondContact ND2-O 2.9Å; N80-L168 WeakPolarHBondContact OD1-CB 3.49Å; N80-L168 PolarHBondContact OD1-N 2.64Å; N80-I227 HydrophobicContact CB-CG2 4.21Å
81Y89.5Confident83Confident23 Ų2324 Ų249%0.0912%0.116CC..  trans-119.295.7-177.9-165.5-169.4000109.5T83 L84 L137 E139 A141 P142 S143Y81-T83 WeakPolarHBondContact CD2-O 3.28Å; Y81-T83 WeakPolarHBondContact CE2-O 3.15Å; Y81-L84 WeakPolarHBondContact OH-CD2 3.28Å; Y81-L137 HydrophobicContact CD1-CB 4.34Å; Y81-L137 HydrophobicContact CD2-CD1 4.28Å; Y81-L137 HydrophobicContact CD2-CD2 4.03Å; Y81-L137 HydrophobicContact CE2-CD1 4.29Å; Y81-L137 HydrophobicContact CG-CB 4.31Å; Y81-L137 HydrophobicContact CG-CD1 4.48Å; Y81-L137 HydrophobicContact CG-CD2 4.02Å; Y81-E139 PolarHBondContact N-OE1 3.01Å; Y81-A141 WeakPolarHBondContact CD1-O 3.37Å; Y81-P142 HydrophobicContact CD2-CB 4.3Å; Y81-P142 HydrophobicContact CE2-CB 4.33Å; Y81-P142 HydrophobicContact CG-CB 4.47Å; Y81-P142 CarbonylContact O-C 3.58Å; Y81-P142 VanDerWaalsContact O-CA 3.25Å; Y81-P142 WeakPolarHBondContact O-CA 3.5Å; Y81-S143 PolarHBondContact O-N 3.24Å; Y81-S143 PolarHBondContact O-OG 3.24Å
82V88.2Confident83.7Confident0 Ų016.9 Ų16.90%09%0.091CC..  trans-95.1-44.5-178-171.80000111.2N80 D86 G144 L168 V170 L178N80-V82 WeakPolarHBondContact ND2-CG2 3.35Å; V82-D86 WeakPolarHBondContact CA-OD2 3.37Å; V82-D86 PolarHBondContact N-OD2 3.47Å; V82-G144 WeakPolarHBondContact O-CA 3.21Å; V82-G144 PolarHBondContact O-N 3.48Å; V82-G144 VanDerWaalsContact O-N 3.13Å; V82-L168 HydrophobicContact CG2-CB 4.5Å; V82-V170 HydrophobicContact CB-CB 4.5Å; V82-V170 HydrophobicContact CB-CG2 3.97Å; V82-V170 HydrophobicContact CG1-CB 3.99Å; V82-V170 HydrophobicContact CG1-CG2 4.02Å; V82-V170 HydrophobicContact CG2-CG2 4.3Å; V82-L178 HydrophobicContact CG1-CD1 3.9Å
83T87.5Confident84.7Confident1 Ų111.2 Ų11.21%0.0066%0.063CC..SBendtrans-133.6156.3-176.884.60000111.7Y81 F85 D86 V170 L178 Y200Y81-T83 WeakPolarHBondContact CD2-O 3.28Å; Y81-T83 WeakPolarHBondContact CE2-O 3.15Å; T83-F85 PolarHBondContact O-N 3.02Å; T83-F85 PolarHBondContact OG1-N 2.88Å; T83-D86 WeakPolarHBondContact CB-OD1 3.46Å; T83-D86 PolarHBondContact N-OD1 3.36Å; T83-D86 PolarHBondContact N-OD2 2.79Å; T83-D86 PolarHBondContact O-N 2.89Å; T83-D86 PolarHBondContact OG1-N 3.43Å; T83-D86 PolarHBondContact OG1-OD1 2.82Å; T83-V170 HydrophobicContact CG2-CB 4.37Å; T83-V170 HydrophobicContact CG2-CG1 4.04Å; T83-V170 HydrophobicContact CG2-CG2 4.35Å; T83-L178 HydrophobicContact CG2-CB 4.38Å; T83-L178 HydrophobicContact CG2-CD2 4.24Å; T83-Y200 PolarHBondContact OG1-OH 3.45Å; T83-Y200 VanDerWaalsContact OG1-OH 3.13Å
84L84.9Confident85.1Confident18 Ų189 Ų99%0.0945%0.048CC..THydrogen-bonded Turntrans-56.7-20.1174.2-69.7-178.6000114.1Y81 H87 V103 P142 V183 W185 E188Y81-L84 WeakPolarHBondContact OH-CD2 3.28Å; L84-H87 PolarHBondContact O-CE1 3.48Å; L84-H87 PolarHBondContact O-ND1 3.34Å; L84-V103 HydrophobicContact CB-CG2 4.47Å; L84-V103 HydrophobicContact CD1-CG2 4.24Å; L84-P142 HydrophobicContact CD2-CG 4.18Å; L84-V183 HydrophobicContact CD1-CG1 3.58Å; L84-V183 HydrophobicContact CD2-CG1 4Å; L84-V183 HydrophobicContact CG-CG1 3.92Å; L84-W185 HydrophobicContact CD1-CB 3.98Å; L84-E188 HydrophobicContact CD1-CB 4Å; L84-E188 HydrophobicContact CD1-CG 3.89Å
85F87.3Confident85.4Confident4 Ų49.3 Ų9.32%0.0185%0.049CC..THydrogen-bonded Turntrans-100.33.4-173.4-54-68.6000113.6F59 T83 H87 L88 V89 F104 L189 Q192F59-F85 HydrophobicContact CE2-CB 3.77Å; F59-F85 HydrophobicContact CE2-CG 4.26Å; F59-F85 HydrophobicContact CZ-CB 3.56Å; F59-F85 AromaticContact CZ-CD2 3.87Å; F59-F85 HydrophobicContact CZ-CD2 3.87Å; F59-F85 AromaticContact CZ-CG 3.76Å; F59-F85 HydrophobicContact CZ-CG 3.76Å; T83-F85 PolarHBondContact O-N 3.02Å; T83-F85 PolarHBondContact OG1-N 2.88Å; F85-H87 PolarHBondContact O-N 2.66Å; F85-L88 WeakPolarHBondContact O-CA 3.36Å; F85-L88 WeakPolarHBondContact O-CB 3.43Å; F85-L88 PolarHBondContact O-N 2.83Å; F85-V89 PolarHBondContact O-N 3.15Å; F85-F104 AromaticContact CD1-CE2 3.81Å; F85-F104 HydrophobicContact CD1-CE2 3.81Å; F85-F104 HydrophobicContact CD1-CZ 4.49Å; F85-F104 AromaticContact CE1-CE2 3.65Å; F85-F104 HydrophobicContact CE1-CE2 3.65Å; F85-F104 AromaticContact CE1-CZ 3.91Å; F85-F104 HydrophobicContact CE1-CZ 3.91Å; F85-L189 HydrophobicContact CE1-CD1 4.09Å; F85-L189 HydrophobicContact CZ-CB 4.14Å; F85-L189 HydrophobicContact CZ-CD1 3.92Å; F85-Q192 HydrophobicContact CE2-CB 4.12Å; F85-Q192 HydrophobicContact CE2-CG 4.28Å
86D88.1Confident85.1Confident0 Ų08.7 Ų8.70%05%0.046CC..Hα-helixtrans-58-39.5-178-66.4-4.1000112.1V82 T83 L88 V89 L90 L168V82-D86 WeakPolarHBondContact CA-OD2 3.37Å; V82-D86 PolarHBondContact N-OD2 3.47Å; T83-D86 WeakPolarHBondContact CB-OD1 3.46Å; T83-D86 PolarHBondContact N-OD1 3.36Å; T83-D86 PolarHBondContact N-OD2 2.79Å; T83-D86 PolarHBondContact O-N 2.89Å; T83-D86 PolarHBondContact OG1-N 3.43Å; T83-D86 PolarHBondContact OG1-OD1 2.82Å; D86-L88 PolarHBondContact O-N 3.26Å; D86-V89 PolarHBondContact O-N 2.91Å; D86-L90 PolarHBondContact O-N 3.47Å; D86-L90 VanDerWaalsContact O-N 3.12Å; D86-L168 HydrophobicContact CB-CD1 3.8Å
87H84.3Confident84.6Confident4 Ų49.3 Ų9.32%0.0195%0.048CC..Hα-helixtrans-57.3-37.3174.273.6-78.8000111.9L84 F85 C91 T98 H102L84-H87 PolarHBondContact O-CE1 3.48Å; L84-H87 PolarHBondContact O-ND1 3.34Å; F85-H87 PolarHBondContact O-N 2.66Å; H87-C91 WeakPolarHBondContact O-CB 3.13Å; H87-C91 PolarHBondContact O-N 3.45Å; H87-C91 PolarHBondContact O-SG 3.14Å; H87-T98 HydrophobicContact CB-CG2 4.15Å; H87-H102 AromaticContact CD2-CD2 3.92Å; H87-H102 AromaticContact CD2-CG 3.73Å; H87-H102 WeakPolarHBondContact NE2-CB 3.47Å; H87-H102 AromaticContact NE2-CD2 3.75Å; H87-H102 AromaticContact NE2-CG 3.78Å
88L84Confident83.9Confident2 Ų28.6 Ų8.61%0.015%0.045CC..Hα-helixtrans-66.1-43.1-178.6-162.477.9000110.7L50 C54 L57 F59 F85 D86 L92 F104L50-L88 HydrophobicContact CD1-CD1 3.18Å; L50-L88 HydrophobicContact CD1-CD2 4.4Å; L50-L88 HydrophobicContact CD1-CG 3.56Å; C54-L88 VanDerWaalsContact SG-CD2 3.58Å; L57-L88 HydrophobicContact CD1-CD2 3.82Å; F59-L88 HydrophobicContact CE2-CD2 4.03Å; F85-L88 WeakPolarHBondContact O-CA 3.36Å; F85-L88 WeakPolarHBondContact O-CB 3.43Å; F85-L88 PolarHBondContact O-N 2.83Å; D86-L88 PolarHBondContact O-N 3.26Å; L88-L92 WeakPolarHBondContact O-CB 3.49Å; L88-L92 PolarHBondContact O-N 3.44Å; L88-F104 HydrophobicContact CD1-CD2 4.34Å
89V86.7Confident82.6Confident1 Ų110.2 Ų10.21%0.0066%0.056CC..Hα-helixtrans-66.1-42.5180174.70000111.2F59 V61 F85 D86 L92 S93 Y200 V202F59-V89 HydrophobicContact CD2-CG2 4.14Å; V61-V89 HydrophobicContact CB-CG1 4.37Å; V61-V89 HydrophobicContact CG1-CG1 3.64Å; V61-V89 HydrophobicContact CG2-CG1 3.74Å; V61-V89 HydrophobicContact CG2-CG2 4.34Å; F85-V89 PolarHBondContact O-N 3.15Å; D86-V89 PolarHBondContact O-N 2.91Å; V89-L92 PolarHBondContact O-N 3.5Å; V89-S93 PolarHBondContact O-N 3.2Å; V89-S93 PolarHBondContact O-OG 3.22Å; V89-Y200 HydrophobicContact CB-CD1 4.39Å; V89-Y200 HydrophobicContact CG1-CD1 4.28Å; V89-Y200 HydrophobicContact CG1-CG 4.33Å; V89-Y200 HydrophobicContact CG2-CD1 3.85Å; V89-Y200 HydrophobicContact CG2-CD2 4.2Å; V89-Y200 HydrophobicContact CG2-CE1 3.86Å; V89-Y200 HydrophobicContact CG2-CE2 4.22Å; V89-Y200 HydrophobicContact CG2-CG 4.02Å; V89-V202 HydrophobicContact CG1-CG2 4.02Å
90L85.8Confident81.3Confident1 Ų111.8 Ų11.81%0.0056%0.064CC..Hα-helixtrans-74-39.9177.6-75.9168.7000112.5D86 L92 S93 E94 C96 H135 V166 L168 V202D86-L90 PolarHBondContact O-N 3.47Å; D86-L90 VanDerWaalsContact O-N 3.12Å; L90-L92 PolarHBondContact O-N 3.01Å; L90-S93 PolarHBondContact O-N 3.03Å; L90-E94 PolarHBondContact O-N 3.45Å; L90-C96 VanDerWaalsContact C-SG 3.53Å; L90-H135 WeakPolarHBondContact CD1-CE1 3.29Å; L90-H135 WeakPolarHBondContact CD1-NE2 3.14Å; L90-V166 HydrophobicContact CD2-CG1 4.18Å; L90-L168 HydrophobicContact CD1-CD1 4.05Å; L90-L168 HydrophobicContact CD1-CD2 4.29Å; L90-L168 HydrophobicContact CD2-CD2 4.5Å; L90-L168 HydrophobicContact CG-CD2 4.44Å; L90-V202 HydrophobicContact CD2-CG1 3.92Å
91C81.4Confident79.6Confident4 Ų417 Ų173%0.02710%0.096CC..Hα-helixtrans-57.8-35.3172.5-74.10000111.5L50 H87 S93 D95 C96 W106L50-C91 HydrophobicContact CD2-CB 4.24Å; H87-C91 WeakPolarHBondContact O-CB 3.13Å; H87-C91 PolarHBondContact O-N 3.45Å; H87-C91 PolarHBondContact O-SG 3.14Å; C91-S93 VanDerWaalsContact C-N 3.31Å; C91-D95 VanDerWaalsContact O-CA 3.24Å; C91-D95 WeakPolarHBondContact O-CA 3.41Å; C91-D95 PolarHBondContact O-N 3.24Å; C91-C96 PolarHBondContact N-SG 3.23Å; C91-C96 PolarHBondContact SG-O 3.47Å; C91-W106 HydrophobicContact CB-CH2 4.23Å; C91-W106 HydrophobicContact CB-CZ2 3.77Å
92L80.4Confident78.4Confident35 Ų3516.2 Ų16.218%0.1839%0.093CC..Hα-helixtrans-69-32.2178178.663.3000113.1L50 R51 C54 L88 V89 L90L50-L92 HydrophobicContact CB-CD1 4.24Å; L50-L92 VanDerWaalsContact CD2-CA 3.47Å; L50-L92 HydrophobicContact CD2-CB 3.68Å; L50-L92 HydrophobicContact CD2-CD1 3.92Å; L50-L92 HydrophobicContact CD2-CG 4.42Å; L50-L92 HydrophobicContact CG-CB 4.06Å; L50-L92 HydrophobicContact CG-CD1 3.93Å; R51-L92 HydrophobicContact CB-CD1 4.29Å; R51-L92 HydrophobicContact CG-CD1 3.28Å; R51-L92 HydrophobicContact CG-CD2 4.24Å; R51-L92 HydrophobicContact CG-CG 4.32Å; C54-L92 HydrophobicContact CB-CD2 4.1Å; L88-L92 WeakPolarHBondContact O-CB 3.49Å; L88-L92 PolarHBondContact O-N 3.44Å; V89-L92 PolarHBondContact O-N 3.5Å; L90-L92 PolarHBondContact O-N 3.01Å
93S79.1Confident77Confident20 Ų2017.9 Ų17.914%0.1410%0.103CC..Hα-helixtrans-88-39.4-173.6-550000112.1I63 V89 L90 C91I63-S93 WeakPolarHBondContact CD1-OG 3.48Å; V89-S93 PolarHBondContact O-N 3.2Å; V89-S93 PolarHBondContact O-OG 3.22Å; L90-S93 PolarHBondContact O-N 3.03Å; C91-S93 VanDerWaalsContact C-N 3.31Å
94E76Confident75.6Confident15 Ų1519 Ų197%0.0711%0.108CC..Hα-helixtrans-122.3-0.8-169.4-59-55.7156.400115.1R68 F77 L90 C96 Y204R68-E94 VanDerWaalsContact CZ-CD 3.5Å; R68-E94 IonicContact CZ-OE1 3.17Å; R68-E94 IonicContact CZ-OE2 2.71Å; R68-E94 IonicContact NE-OE1 3.05Å; R68-E94 IonicContact NH1-OE1 3.07Å; R68-E94 PolarHBondContact NH1-OE1 3.18Å; R68-E94 IonicContact NH1-OE2 3.18Å; R68-E94 PolarHBondContact NH1-OE2 3.37Å; R68-E94 IonicContact NH2-OE1 2.77Å; R68-E94 PolarHBondContact NH2-OE1 2.7Å; R68-E94 IonicContact NH2-OE2 2.73Å; R68-E94 PolarHBondContact NH2-OE2 2.92Å; F77-E94 HydrophobicContact CE2-CB 3.89Å; F77-E94 HydrophobicContact CE2-CG 3.91Å; F77-E94 HydrophobicContact CZ-CB 4.33Å; F77-E94 HydrophobicContact CZ-CG 3.9Å; L90-E94 PolarHBondContact O-N 3.45Å; E94-C96 HydrophobicContact CB-CB 4.48Å; E94-C96 PolarHBondContact O-N 3.28Å; E94-C96 VanDerWaalsContact O-N 3.17Å; E94-Y204 VanDerWaalsContact CD-OH 3.28Å; E94-Y204 WeakPolarHBondContact CG-OH 3.29Å; E94-Y204 PolarHBondContact OE1-OH 3Å
95D76.3Confident74.4Confident23 Ų2324 Ų2412%0.12313%0.131CC..  trans50.634.5-171.3-63.7-72.9000113.3R47 C91 Q132R47-D95 IonicContact CZ-OD1 2.59Å; R47-D95 IonicContact CZ-OD2 2.75Å; R47-D95 VanDerWaalsContact NE-CG 3.35Å; R47-D95 IonicContact NE-OD1 3.07Å; R47-D95 PolarHBondContact NE-OD1 3.45Å; R47-D95 IonicContact NE-OD2 3.02Å; R47-D95 PolarHBondContact NE-OD2 3.44Å; R47-D95 IonicContact NH2-OD1 3.3Å; R47-D95 IonicContact NH2-OD2 3.25Å; R47-D95 PolarHBondContact NH2-OD2 2.98Å; C91-D95 VanDerWaalsContact O-CA 3.24Å; C91-D95 WeakPolarHBondContact O-CA 3.41Å; C91-D95 PolarHBondContact O-N 3.24Å; D95-Q132 WeakPolarHBondContact O-CB 3.41Å; D95-Q132 WeakPolarHBondContact O-CG 3.44Å; D95-Q132 PolarHBondContact O-OE1 2.9Å
96C76.1Confident72.7Confident1 Ų126.7 Ų26.71%0.00714%0.141CC..  trans-70.8160.1-179.160.30000113L90 C91 E94 P133 H135L90-C96 VanDerWaalsContact C-SG 3.53Å; C91-C96 PolarHBondContact N-SG 3.23Å; C91-C96 PolarHBondContact SG-O 3.47Å; E94-C96 HydrophobicContact CB-CB 4.48Å; E94-C96 PolarHBondContact O-N 3.28Å; E94-C96 VanDerWaalsContact O-N 3.17Å; C96-P133 CarbonylContact C-O 3.49Å; C96-P133 WeakPolarHBondContact CA-O 3.41Å; C96-P133 HydrophobicContact CB-CG 4.23Å; C96-P133 WeakPolarHBondContact CB-O 3.34Å; C96-H135 HydrophobicContact CB-CB 3.98Å
97I76.7Confident71Confident22 Ų2228.1 Ų28.111%0.11315%0.147CC..BIsolated β-bridgetrans-111.1131.8172.2-57.5172.2000107.9I109 F122 Q132 P133 V134 H135I97-I109 HydrophobicContact CG2-CD1 4.04Å; I97-I109 HydrophobicContact CG2-CG1 4.42Å; I97-F122 HydrophobicContact CG2-CE1 4.37Å; I97-F122 HydrophobicContact CG2-CZ 3.88Å; I97-Q132 HydrophobicContact CD1-CB 3.86Å; I97-Q132 HydrophobicContact CG1-CB 3.91Å; I97-P133 PolarHBondContact N-O 2.95Å; I97-V134 CarbonylContact O-C 3.49Å; I97-V134 VanDerWaalsContact O-CA 3.27Å; I97-V134 WeakPolarHBondContact O-CA 3.33Å; I97-H135 PolarHBondContact O-N 2.96Å
98T73.5Confident69.2Low4 Ų429.3 Ų29.33%0.02516%0.156CC..  trans-106.7132.2175.5-170.40000110.8H87 N100 H102 H135H87-T98 HydrophobicContact CB-CG2 4.15Å; T98-N100 PolarHBondContact O-N 3.25Å; T98-N100 PolarHBondContact OG1-N 2.96Å; T98-H102 WeakPolarHBondContact CG2-ND1 3.37Å; T98-H135 WeakPolarHBondContact CB-O 3.35Å; T98-H135 PolarHBondContact OG1-O 3.44Å
99P64.9Low67.4Low34 Ų3432.8 Ų32.822%0.22117%0.174CC..  trans-74.3-14.4171.730.6-31.8000111.8V119 F122 V134 H135 L136P99-V119 HydrophobicContact CB-CG1 4.48Å; P99-V119 HydrophobicContact CG-CG1 3.99Å; P99-F122 HydrophobicContact CB-CD1 3.83Å; P99-F122 HydrophobicContact CB-CE1 4.16Å; P99-F122 HydrophobicContact CG-CD1 4.27Å; P99-V134 HydrophobicContact CG-CG1 4.36Å; P99-H135 WeakPolarHBondContact CD-O 3.4Å; P99-L136 HydrophobicContact CG-CD2 3.87Å
100N64.7Low65.1Low33 Ų3335.8 Ų35.818%0.17619%0.193CC..SBendtrans-75.9139.2-178.5-69.4-29.9000110.9T98 H102 L137T98-N100 PolarHBondContact O-N 3.25Å; T98-N100 PolarHBondContact OG1-N 2.96Å; N100-H102 PolarHBondContact O-N 2.95Å; N100-H102 PolarHBondContact O-ND1 3.48Å; N100-L137 VanDerWaalsContact ND2-CB 3.29Å; N100-L137 WeakPolarHBondContact ND2-CB 3.48Å; N100-L137 PolarHBondContact ND2-N 3.27Å; N100-L137 PolarHBondContact ND2-O 3.04Å
101T57Low63.1Low111 Ų11142.9 Ų42.968%0.68123%0.226SC*.  trans-60.2113.8175.351.60000109
102H64.2Low61.2Low8 Ų847 Ų474%0.03726%0.255CS..  trans-112.2146.7176.655.8-87.6000110.5H87 T98 N100 F104 H105 W106 K107 S108H87-H102 AromaticContact CD2-CD2 3.92Å; H87-H102 AromaticContact CD2-CG 3.73Å; H87-H102 WeakPolarHBondContact NE2-CB 3.47Å; H87-H102 AromaticContact NE2-CD2 3.75Å; H87-H102 AromaticContact NE2-CG 3.78Å; T98-H102 WeakPolarHBondContact CG2-ND1 3.37Å; N100-H102 PolarHBondContact O-N 2.95Å; N100-H102 PolarHBondContact O-ND1 3.48Å; H102-F104 PolarHBondContact O-N 2.95Å; H102-H105 PolarHBondContact CD2-N 2.79Å; H102-H105 PolarHBondContact O-N 3.24Å; H102-W106 AromaticContact CD2-CD1 3.7Å; H102-W106 AromaticContact NE2-CD1 3.53Å; H102-W106 PolarHBondContact NE2-N 3.02Å; H102-W106 AromaticContact NE2-NE1 3.97Å; H102-K107 PolarHBondContact NE2-N 3.02Å; H102-S108 PolarHBondContact CE1-N 2.73Å; H102-S108 PolarHBondContact NE2-N 2.98Å
103V57.6Low59.5Low35 Ų3552.6 Ų52.621%0.21228%0.277CS..THydrogen-bonded Turntrans-49.8-38-172179.90000113.2L84 W185L84-V103 HydrophobicContact CB-CG2 4.47Å; L84-V103 HydrophobicContact CD1-CG2 4.24Å; V103-W185 HydrophobicContact CG1-CB 4.07Å; V103-W185 HydrophobicContact CG1-CD2 3.67Å; V103-W185 HydrophobicContact CG1-CE3 3.23Å; V103-W185 HydrophobicContact CG1-CG 4.06Å; V103-W185 HydrophobicContact CG1-CZ3 3.88Å; V103-W185 HydrophobicContact CG2-CB 3.73Å; V103-W185 HydrophobicContact CG2-CG 4.45Å
104F59Low57.9Low25 Ų2556.1 Ų56.111%0.1129%0.292CS..THydrogen-bonded Turntrans-89.9-4.7-172.7-63.5-61000114.7F29 F85 L88 H102 W106 L189F29-F104 HydrophobicContact CE1-CE1 4.02Å; F29-F104 HydrophobicContact CE2-CE1 4.43Å; F29-F104 HydrophobicContact CE2-CZ 4.28Å; F29-F104 HydrophobicContact CZ-CD1 4.19Å; F29-F104 AromaticContact CZ-CE1 3.41Å; F29-F104 HydrophobicContact CZ-CE1 3.41Å; F29-F104 VanDerWaalsContact CZ-CE1 3.41Å; F29-F104 AromaticContact CZ-CZ 3.66Å; F29-F104 HydrophobicContact CZ-CZ 3.66Å; F85-F104 AromaticContact CD1-CE2 3.81Å; F85-F104 HydrophobicContact CD1-CE2 3.81Å; F85-F104 HydrophobicContact CD1-CZ 4.49Å; F85-F104 AromaticContact CE1-CE2 3.65Å; F85-F104 HydrophobicContact CE1-CE2 3.65Å; F85-F104 AromaticContact CE1-CZ 3.91Å; F85-F104 HydrophobicContact CE1-CZ 3.91Å; L88-F104 HydrophobicContact CD1-CD2 4.34Å; H102-F104 PolarHBondContact O-N 2.95Å; F104-W106 HydrophobicContact CB-CG 4.45Å; F104-W106 PolarHBondContact O-N 3.5Å; F104-L189 HydrophobicContact CE1-CD2 4.3Å; F104-L189 HydrophobicContact CZ-CD1 3.99Å; F104-L189 HydrophobicContact CZ-CD2 4.31Å
105H58.2Low56.4Low123 Ų12364.5 Ų64.557%0.56933%0.328SS*.  trans45.74.5-178.3-71.5-81.4000117.1H102 K107 S108H102-H105 PolarHBondContact CD2-N 2.79Å; H102-H105 PolarHBondContact O-N 3.24Å; H105-K107 PolarHBondContact O-N 3.13Å; H105-S108 PolarHBondContact O-N 2.92Å
106W53.4Low55.1Low60 Ų6064.8 Ų64.823%0.22733%0.331CS..THydrogen-bonded Turntrans-69.4-13.7-163.771.6-70.2000114.2R46 L50 C91 H102 F104R46-W106 VanDerWaalsContact CD-CZ3 3.49Å; R46-W106 HydrophobicContact CG-CE3 4Å; R46-W106 HydrophobicContact CG-CZ3 3.59Å; L50-W106 HydrophobicContact CD1-CH2 4.1Å; L50-W106 HydrophobicContact CD1-CZ2 3.78Å; L50-W106 HydrophobicContact CD2-CH2 3.59Å; L50-W106 HydrophobicContact CD2-CZ2 3.87Å; L50-W106 HydrophobicContact CG-CH2 4.36Å; L50-W106 HydrophobicContact CG-CZ2 4.45Å; C91-W106 HydrophobicContact CB-CH2 4.23Å; C91-W106 HydrophobicContact CB-CZ2 3.77Å; H102-W106 AromaticContact CD2-CD1 3.7Å; H102-W106 AromaticContact NE2-CD1 3.53Å; H102-W106 PolarHBondContact NE2-N 3.02Å; H102-W106 AromaticContact NE2-NE1 3.97Å; F104-W106 HydrophobicContact CB-CG 4.45Å; F104-W106 PolarHBondContact O-N 3.5Å
107K52Low54Low29 Ų2975.1 Ų75.113%0.12637%0.37CS..THydrogen-bonded Turntrans-141.921.5167.1-81.2-166.9175.3-172.10112.1R46 H102 H105 I109R46-K107 VanDerWaalsContact NH2-CE 3.27Å; H102-K107 PolarHBondContact NE2-N 3.02Å; H105-K107 PolarHBondContact O-N 3.13Å; K107-I109 PolarHBondContact O-N 2.8Å
108S46Very low53.6Low30 Ų3076.3 Ų76.321%0.2138%0.38CS..  trans-71106.2170.6-174.30000104.4H102 H105H102-S108 PolarHBondContact CE1-N 2.73Å; H102-S108 PolarHBondContact NE2-N 2.98Å; H105-S108 PolarHBondContact O-N 2.92Å
109I46.6Very low53.5Low75 Ų7578.1 Ų78.139%0.38539%0.391SS..  trans-50.1124.6168.9-67.4168000104.6I97 K107 H111 F122I97-I109 HydrophobicContact CG2-CD1 4.04Å; I97-I109 HydrophobicContact CG2-CG1 4.42Å; K107-I109 PolarHBondContact O-N 2.8Å; I109-H111 VanDerWaalsContact C-N 3.31Å; I109-H111 PolarHBondContact O-N 2.74Å; I109-F122 HydrophobicContact CD1-CD2 4.14Å; I109-F122 HydrophobicContact CD1-CE2 3.07Å; I109-F122 HydrophobicContact CD1-CZ 3.31Å
110P39Very low53.8Low63 Ų6377.2 Ų77.241%0.40939%0.385SS..  trans-55.7108179.420.6-29.7000105.6S112 K113P110-S112 PolarHBondContact O-N 3.04Å; P110-K113 HydrophobicContact CB-CG 4.36Å; P110-K113 HydrophobicContact CG-CB 4.09Å; P110-K113 HydrophobicContact CG-CD 4.21Å; P110-K113 HydrophobicContact CG-CG 4.02Å; P110-K113 PolarHBondContact O-N 3.03Å
111H43.4Very low54.2Low151 Ų15180.2 Ų80.270%0.69940%0.398SS*.THydrogen-bonded Turntrans-58.3-4.7176-145.35.7000110.6I109I109-H111 VanDerWaalsContact C-N 3.31Å; I109-H111 PolarHBondContact O-N 2.74Å
112S40.5Very low55Low89 Ų8975.8 Ų75.862%0.62237%0.369SS*.THydrogen-bonded Turntrans-96.8-10.6175.973.60000116.7P110P110-S112 PolarHBondContact O-N 3.04Å
113K44.4Very low55.6Low153 Ų15375.6 Ų75.667%0.66537%0.369SS*.THydrogen-bonded Turntrans-95.1-17.4-179.5-74.8-163.3174.8-174.70115.6P110P110-K113 HydrophobicContact CB-CG 4.36Å; P110-K113 HydrophobicContact CG-CB 4.09Å; P110-K113 HydrophobicContact CG-CD 4.21Å; P110-K113 HydrophobicContact CG-CG 4.02Å; P110-K113 PolarHBondContact O-N 3.03Å
114E45.9Very low56.4Low94 Ų9476.5 Ų76.544%0.43937%0.372SS..SBendtrans-137.5132.5171-99.9159.2143.800109.3T116 R125E114-T116 PolarHBondContact O-N 2.92Å; E114-R125 IonicContact OE1-CZ 3.62Å; E114-R125 VanDerWaalsContact OE1-CZ 3.25Å; E114-R125 IonicContact OE1-NH1 3.75Å; E114-R125 PolarHBondContact OE1-NH1 3.36Å; E114-R125 IonicContact OE1-NH2 3.18Å; E114-R125 PolarHBondContact OE1-NH2 2.93Å; E114-R125 IonicContact OE2-CZ 2.8Å; E114-R125 IonicContact OE2-NH1 3.7Å; E114-R125 PolarHBondContact OE2-NH1 3.46Å; E114-R125 IonicContact OE2-NH2 3.13Å; E114-R125 PolarHBondContact OE2-NH2 3.48Å
115K44.2Very low57.1Low191 Ų19179.8 Ų79.883%0.8338%0.384SS*.  trans-63.149.4171.1-70.2173.8172.4170.40111.5R117K115-R117 VanDerWaalsContact C-N 3.35Å; K115-R117 PolarHBondContact O-N 3.25Å
116T49.8Very low57.9Low30 Ų3074.4 Ų74.418%0.18436%0.36CS..  trans-72.598173.8-37.70000106.4E114 S118 E121 F122E114-T116 PolarHBondContact O-N 2.92Å; T116-S118 PolarHBondContact O-N 2.94Å; T116-E121 HydrophobicContact CG2-CB 3.8Å; T116-F122 HydrophobicContact CG2-CB 4.02Å
117R53.5Low58.9Low217 Ų21772.4 Ų72.482%0.81936%0.356SS*.  trans-76.8-1.4-167.2-87.9-179.9170176.2-3.9112.6K115 E121K115-R117 VanDerWaalsContact C-N 3.35Å; K115-R117 PolarHBondContact O-N 3.25Å; R117-E121 PolarHBondContact N-OE2 3.36Å; R117-E121 VanDerWaalsContact N-OE2 3.14Å
118S66.9Low59.8Low48 Ų4877.5 Ų77.534%0.33637%0.374SS..SBendtrans-161.6150176.569.40000112.5T116 P120 E121 F122T116-S118 PolarHBondContact O-N 2.94Å; S118-P120 VanDerWaalsContact C-N 3.31Å; S118-E121 PolarHBondContact O-N 3.32Å; S118-E121 WeakPolarHBondContact OG-CG 3.36Å; S118-F122 PolarHBondContact O-N 3.03Å
119V71.8Confident61.1Low42 Ų4279.7 Ų79.726%0.25538%0.384SS..Hα-helixtrans-53.2-39.8173.1173.80000112.8P99 E121 F122 V123 L136 M156P99-V119 HydrophobicContact CB-CG1 4.48Å; P99-V119 HydrophobicContact CG-CG1 3.99Å; V119-E121 PolarHBondContact O-N 2.83Å; V119-F122 WeakPolarHBondContact O-CB 3.44Å; V119-F122 PolarHBondContact O-N 2.75Å; V119-V123 HydrophobicContact CG1-CG2 4.48Å; V119-V123 WeakPolarHBondContact O-CG2 3.22Å; V119-V123 PolarHBondContact O-N 3.23Å; V119-V123 VanDerWaalsContact O-N 3.11Å; V119-L136 HydrophobicContact CG1-CD2 3.89Å; V119-M156 HydrophobicContact CG1-CG 4.46Å
120P71.9Confident61.9Low14 Ų1481.7 Ų81.79%0.09140%0.396CS..Hα-helixtrans-62.5-39177.9-24.135.3000114S118 F122 V123 L124 K155 S159S118-P120 VanDerWaalsContact C-N 3.31Å; P120-F122 VanDerWaalsContact C-N 3.26Å; P120-F122 PolarHBondContact O-N 3.02Å; P120-V123 PolarHBondContact O-N 3.4Å; P120-L124 WeakPolarHBondContact O-CG 3.5Å; P120-L124 PolarHBondContact O-N 2.69Å; P120-K155 VanDerWaalsContact CG-O 3.25Å; P120-K155 WeakPolarHBondContact CG-O 3.46Å; P120-S159 WeakPolarHBondContact CB-OG 3.17Å
121E72.7Confident63.3Low96 Ų9684.1 Ų84.145%0.44940%0.401SS..Hα-helixtrans-61.3-37.4174.5-76.318017300111.9T116 R117 S118 V119 L124 R125T116-E121 HydrophobicContact CG2-CB 3.8Å; R117-E121 PolarHBondContact N-OE2 3.36Å; R117-E121 VanDerWaalsContact N-OE2 3.14Å; S118-E121 PolarHBondContact O-N 3.32Å; S118-E121 WeakPolarHBondContact OG-CG 3.36Å; V119-E121 PolarHBondContact O-N 2.83Å; E121-L124 PolarHBondContact O-N 3.33Å; E121-R125 WeakPolarHBondContact O-CB 3.23Å; E121-R125 PolarHBondContact O-N 3.41Å
122F73.6Confident64.8Low18 Ų1879.6 Ų79.68%0.07938%0.38CS..Hα-helixtrans-64.6-46.2176.8176.8-108.4000111.9I97 P99 I109 T116 S118 V119 P120 L124 R125 C126 V134I97-F122 HydrophobicContact CG2-CE1 4.37Å; I97-F122 HydrophobicContact CG2-CZ 3.88Å; P99-F122 HydrophobicContact CB-CD1 3.83Å; P99-F122 HydrophobicContact CB-CE1 4.16Å; P99-F122 HydrophobicContact CG-CD1 4.27Å; I109-F122 HydrophobicContact CD1-CD2 4.14Å; I109-F122 HydrophobicContact CD1-CE2 3.07Å; I109-F122 HydrophobicContact CD1-CZ 3.31Å; T116-F122 HydrophobicContact CG2-CB 4.02Å; S118-F122 PolarHBondContact O-N 3.03Å; V119-F122 WeakPolarHBondContact O-CB 3.44Å; V119-F122 PolarHBondContact O-N 2.75Å; P120-F122 VanDerWaalsContact C-N 3.26Å; P120-F122 PolarHBondContact O-N 3.02Å; F122-L124 VanDerWaalsContact C-N 3.34Å; F122-L124 PolarHBondContact O-N 3.29Å; F122-R125 PolarHBondContact O-N 3.18Å; F122-C126 WeakPolarHBondContact CE2-SG 3.02Å; F122-C126 WeakPolarHBondContact CZ-SG 3.33Å; F122-C126 PolarHBondContact O-N 3.37Å; F122-V134 HydrophobicContact CD1-CG1 4.15Å; F122-V134 HydrophobicContact CD1-CG2 4.42Å; F122-V134 HydrophobicContact CE1-CG1 3.83Å; F122-V134 HydrophobicContact CE1-CG2 3.88Å; F122-V134 HydrophobicContact CZ-CG2 4.45Å
123V76.1Confident66.6Low5 Ų576.6 Ų76.63%0.0336%0.359CS..Hα-helixtrans-61.4-45.1177.3179.60000110.8P76 V119 P120 R125 C126 A127 V134 L136 V160P76-V123 HydrophobicContact CB-CG1 4.04Å; P76-V123 HydrophobicContact CG-CG1 3.94Å; V119-V123 HydrophobicContact CG1-CG2 4.48Å; V119-V123 WeakPolarHBondContact O-CG2 3.22Å; V119-V123 PolarHBondContact O-N 3.23Å; V119-V123 VanDerWaalsContact O-N 3.11Å; P120-V123 PolarHBondContact O-N 3.4Å; V123-R125 VanDerWaalsContact C-N 3.3Å; V123-R125 PolarHBondContact O-N 3.33Å; V123-C126 PolarHBondContact O-N 3.43Å; V123-A127 WeakPolarHBondContact O-CB 3.04Å; V123-A127 PolarHBondContact O-N 2.67Å; V123-V134 HydrophobicContact CG2-CB 4.45Å; V123-V134 HydrophobicContact CG2-CG1 4.01Å; V123-L136 HydrophobicContact CG2-CD1 4.15Å; V123-L136 HydrophobicContact CG2-CD2 3.8Å; V123-L136 HydrophobicContact CG2-CG 4.42Å; V123-V160 HydrophobicContact CB-CG2 4.26Å; V123-V160 HydrophobicContact CG1-CG2 3.68Å
124L74.5Confident68.5Low53 Ų5369.5 Ų69.528%0.27733%0.328SS..Hα-helixtrans-59-41.5176.7-75.3-179.8000112.2P120 E121 F122 A127 R128 S159 L303P120-L124 WeakPolarHBondContact O-CG 3.5Å; P120-L124 PolarHBondContact O-N 2.69Å; E121-L124 PolarHBondContact O-N 3.33Å; F122-L124 VanDerWaalsContact C-N 3.34Å; F122-L124 PolarHBondContact O-N 3.29Å; L124-A127 PolarHBondContact O-N 2.96Å; L124-R128 WeakPolarHBondContact O-CB 3.46Å; L124-R128 PolarHBondContact O-N 3.5Å; L124-S159 WeakPolarHBondContact CD2-O 3.38Å; L124-L303 HydrophobicContact CB-CD2 4.09Å; L124-L303 HydrophobicContact CD1-CD2 4.46Å; L124-L303 HydrophobicContact CD2-CD2 3.75Å; L124-L303 HydrophobicContact CG-CD2 4.32Å
125R74.8Confident70.5Confident95 Ų9565 Ų6536%0.35831%0.307SS..Hα-helixtrans-65.9-47.8178.4-175.7-179.3179.9-175.97.5112.1E114 E121 F122 V123 A127 R128 D129E114-R125 IonicContact OE1-CZ 3.62Å; E114-R125 VanDerWaalsContact OE1-CZ 3.25Å; E114-R125 IonicContact OE1-NH1 3.75Å; E114-R125 PolarHBondContact OE1-NH1 3.36Å; E114-R125 IonicContact OE1-NH2 3.18Å; E114-R125 PolarHBondContact OE1-NH2 2.93Å; E114-R125 IonicContact OE2-CZ 2.8Å; E114-R125 IonicContact OE2-NH1 3.7Å; E114-R125 PolarHBondContact OE2-NH1 3.46Å; E114-R125 IonicContact OE2-NH2 3.13Å; E114-R125 PolarHBondContact OE2-NH2 3.48Å; E121-R125 WeakPolarHBondContact O-CB 3.23Å; E121-R125 PolarHBondContact O-N 3.41Å; F122-R125 PolarHBondContact O-N 3.18Å; V123-R125 VanDerWaalsContact C-N 3.3Å; V123-R125 PolarHBondContact O-N 3.33Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 3.15Å; R125-R128 WeakPolarHBondContact O-CB 3.26Å; R125-R128 PolarHBondContact O-N 3.37Å; R125-R128 VanDerWaalsContact O-N 3.12Å; R125-D129 WeakPolarHBondContact CG-OD2 3.38Å; R125-D129 IonicContact NE-OD2 3.14Å; R125-D129 PolarHBondContact O-N 2.9Å
126C74.4Confident72.5Confident10 Ų1056 Ų567%0.06827%0.268CS..Hα-helixtrans-60-40177-72.10000111.8C74 F122 V123 N130 H131 V134C74-C126 PolarHBondContact SG-O 2.97Å; C74-C126 VanDerWaalsContact SG-O 3.41Å; F122-C126 WeakPolarHBondContact CE2-SG 3.02Å; F122-C126 WeakPolarHBondContact CZ-SG 3.33Å; F122-C126 PolarHBondContact O-N 3.37Å; V123-C126 PolarHBondContact O-N 3.43Å; C126-N130 PolarHBondContact O-N 3.14Å; C126-H131 PolarHBondContact O-N 2.94Å; C126-V134 HydrophobicContact CB-CG2 3.39Å
127A74.2Confident74.4Confident18 Ų1854.7 Ų54.715%0.14926%0.26CS..Hα-helixtrans-64-41174.200000112.6V123 L124 R125 N130 I301V123-A127 WeakPolarHBondContact O-CB 3.04Å; V123-A127 PolarHBondContact O-N 2.67Å; L124-A127 PolarHBondContact O-N 2.96Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 3.15Å; A127-N130 PolarHBondContact O-N 2.97Å; A127-I301 HydrophobicContact CB-CD1 4.11Å
128R72.7Confident75.9Confident135 Ų13544.3 Ų44.351%0.50922%0.221SC..Hα-helixtrans-65.4-47.1179.5-174.5177.3-174.6165.14.7112.5L124 R125 N130 L303L124-R128 WeakPolarHBondContact O-CB 3.46Å; L124-R128 PolarHBondContact O-N 3.5Å; R125-R128 WeakPolarHBondContact O-CB 3.26Å; R125-R128 PolarHBondContact O-N 3.37Å; R125-R128 VanDerWaalsContact O-N 3.12Å; R128-N130 PolarHBondContact O-N 3.4Å; R128-L303 HydrophobicContact CB-CD1 3.54Å; R128-L303 HydrophobicContact CG-CD1 3.8Å
129D72.2Confident76.7Confident77 Ų7742.1 Ų42.141%0.41221%0.205SC..THydrogen-bonded Turntrans-80.4-0.1-172.7-58.1-23000111R125 H131R125-D129 WeakPolarHBondContact CG-OD2 3.38Å; R125-D129 IonicContact NE-OD2 3.14Å; R125-D129 PolarHBondContact O-N 2.9Å; D129-H131 WeakPolarHBondContact CB-CD2 3.48Å; D129-H131 PolarHBondContact O-CD2 3.44Å; D129-H131 VanDerWaalsContact O-CD2 3.24Å; D129-H131 PolarHBondContact O-N 2.72Å
130N63.8Low77.1Confident117 Ų11744.3 Ų44.363%0.62621%0.211SC*.THydrogen-bonded Turntrans53.637.8-173.4-147.923.8000112.3C126 A127 R128C126-N130 PolarHBondContact O-N 3.14Å; A127-N130 PolarHBondContact O-N 2.97Å; R128-N130 PolarHBondContact O-N 3.4Å
131H69Low77.5Confident114 Ų11444.5 Ų44.553%0.52821%0.214SC..  trans-82-179.3-179.8-89.5-105.5000111.3C74 C126 D129C74-H131 PolarHBondContact SG-O 3.29Å; C126-H131 PolarHBondContact O-N 2.94Å; D129-H131 WeakPolarHBondContact CB-CD2 3.48Å; D129-H131 PolarHBondContact O-CD2 3.44Å; D129-H131 VanDerWaalsContact O-CD2 3.24Å; D129-H131 PolarHBondContact O-N 2.72Å
132Q73.5Confident78Confident56 Ų5640.2 Ų40.226%0.26220%0.195SC..SBendtrans-48.1141.5176.5-73.8168.210.400112.1D95 I97D95-Q132 WeakPolarHBondContact O-CB 3.41Å; D95-Q132 WeakPolarHBondContact O-CG 3.44Å; D95-Q132 PolarHBondContact O-OE1 2.9Å; I97-Q132 HydrophobicContact CD1-CB 3.86Å; I97-Q132 HydrophobicContact CG1-CB 3.91Å
133P79.4Confident78.5Confident26 Ų2640 Ų4017%0.16920%0.196CC..PPolyproline II helixtrans-62.2143.9-178.526-33.8000110.9F77 C96 I97F77-P133 HydrophobicContact CD2-CB 3.85Å; F77-P133 HydrophobicContact CD2-CG 4.21Å; F77-P133 HydrophobicContact CE2-CB 3.56Å; F77-P133 HydrophobicContact CE2-CG 3.62Å; C96-P133 CarbonylContact C-O 3.49Å; C96-P133 WeakPolarHBondContact CA-O 3.41Å; C96-P133 HydrophobicContact CB-CG 4.23Å; C96-P133 WeakPolarHBondContact CB-O 3.34Å; I97-P133 PolarHBondContact N-O 2.95Å
134V84.5Confident78.7Confident3 Ų340 Ų402%0.01820%0.196CC..BIsolated β-bridgetrans-89.2134.3-178.5-178.40000110.4P76 F77 I97 P99 F122 V123 C126 L136P76-V134 CarbonylContact C-O 3.41Å; P76-V134 VanDerWaalsContact CA-O 3.23Å; P76-V134 WeakPolarHBondContact CA-O 3.5Å; P76-V134 HydrophobicContact CB-CB 4.35Å; F77-V134 PolarHBondContact N-O 3.24Å; I97-V134 CarbonylContact O-C 3.49Å; I97-V134 VanDerWaalsContact O-CA 3.27Å; I97-V134 WeakPolarHBondContact O-CA 3.33Å; P99-V134 HydrophobicContact CG-CG1 4.36Å; F122-V134 HydrophobicContact CD1-CG1 4.15Å; F122-V134 HydrophobicContact CD1-CG2 4.42Å; F122-V134 HydrophobicContact CE1-CG1 3.83Å; F122-V134 HydrophobicContact CE1-CG2 3.88Å; F122-V134 HydrophobicContact CZ-CG2 4.45Å; V123-V134 HydrophobicContact CG2-CB 4.45Å; V123-V134 HydrophobicContact CG2-CG1 4.01Å; C126-V134 HydrophobicContact CB-CG2 3.39Å; V134-L136 HydrophobicContact CG1-CD2 3.9Å; V134-L136 HydrophobicContact CG1-CG 4.32Å
135H86.5Confident79Confident0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-104.1112.6174.9176.3-139.9000111.6F77 S79 L90 C96 I97 T98 P99F77-H135 WeakPolarHBondContact O-CA 3.37Å; S79-H135 PolarHBondContact OG-NE2 3.25Å; L90-H135 WeakPolarHBondContact CD1-CE1 3.29Å; L90-H135 WeakPolarHBondContact CD1-NE2 3.14Å; C96-H135 HydrophobicContact CB-CB 3.98Å; I97-H135 PolarHBondContact O-N 2.96Å; T98-H135 WeakPolarHBondContact CB-O 3.35Å; T98-H135 PolarHBondContact OG1-O 3.44Å; P99-H135 WeakPolarHBondContact CD-O 3.4Å
136L87.5Confident79.1Confident1 Ų138.3 Ų38.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-100131.4-178.5-59175.5000110.8P76 F77 V78 S79 P99 V119 V123 V134 P138P76-L136 HydrophobicContact CB-CD1 4.16Å; F77-L136 PolarHBondContact O-N 3.47Å; V78-L136 HydrophobicContact CG2-CB 4.26Å; V78-L136 HydrophobicContact CG2-CD1 4.21Å; S79-L136 PolarHBondContact N-O 3.37Å; P99-L136 HydrophobicContact CG-CD2 3.87Å; V119-L136 HydrophobicContact CG1-CD2 3.89Å; V123-L136 HydrophobicContact CG2-CD1 4.15Å; V123-L136 HydrophobicContact CG2-CD2 3.8Å; V123-L136 HydrophobicContact CG2-CG 4.42Å; V134-L136 HydrophobicContact CG1-CD2 3.9Å; V134-L136 HydrophobicContact CG1-CG 4.32Å; L136-P138 WeakPolarHBondContact O-CD 3.41Å
137L88Confident79.4Confident3 Ų342.1 Ų42.12%0.01622%0.215CC..  trans-117.789.3172-58.6149.1000109.3S79 N80 Y81 N100 E139S79-L137 VanDerWaalsContact OG-CD2 3.29Å; S79-L137 WeakPolarHBondContact OG-CD2 3.5Å; N80-L137 WeakPolarHBondContact O-CD2 3.44Å; Y81-L137 HydrophobicContact CD1-CB 4.34Å; Y81-L137 HydrophobicContact CD2-CD1 4.28Å; Y81-L137 HydrophobicContact CD2-CD2 4.03Å; Y81-L137 HydrophobicContact CE2-CD1 4.29Å; Y81-L137 HydrophobicContact CG-CB 4.31Å; Y81-L137 HydrophobicContact CG-CD1 4.48Å; Y81-L137 HydrophobicContact CG-CD2 4.02Å; N100-L137 VanDerWaalsContact ND2-CB 3.29Å; N100-L137 WeakPolarHBondContact ND2-CB 3.48Å; N100-L137 PolarHBondContact ND2-N 3.27Å; N100-L137 PolarHBondContact ND2-O 3.04Å; L137-E139 VanDerWaalsContact C-N 3.28Å; L137-E139 PolarHBondContact O-N 2.72Å
138P86.2Confident79.7Confident0 Ų043 Ų430%022%0.219CC..THydrogen-bonded Turntrans-74.9-10-172.830.7-36.8000114.7V78 S79 L136 K140 F152 D153 M156 F157V78-P138 HydrophobicContact CG1-CG 3.96Å; S79-P138 WeakPolarHBondContact O-CD 3.48Å; L136-P138 WeakPolarHBondContact O-CD 3.41Å; P138-K140 VanDerWaalsContact C-N 3.26Å; P138-K140 PolarHBondContact O-N 2.59Å; P138-F152 HydrophobicContact CB-CB 3.82Å; P138-F152 HydrophobicContact CB-CD1 4.3Å; P138-F152 HydrophobicContact CB-CD2 4.02Å; P138-F152 HydrophobicContact CB-CG 3.79Å; P138-F152 HydrophobicContact CG-CB 4.08Å; P138-F152 HydrophobicContact CG-CD1 3.8Å; P138-F152 HydrophobicContact CG-CD2 3.34Å; P138-F152 HydrophobicContact CG-CE1 4.01Å; P138-F152 HydrophobicContact CG-CE2 3.57Å; P138-F152 HydrophobicContact CG-CG 3.46Å; P138-F152 VanDerWaalsContact CG-CG 3.46Å; P138-F152 HydrophobicContact CG-CZ 3.89Å; P138-D153 PolarHBondContact O-N 2.74Å; P138-M156 HydrophobicContact CB-SD 4.19Å; P138-F157 HydrophobicContact CB-CE2 3.86Å; P138-F157 HydrophobicContact CB-CZ 4.35Å; P138-F157 HydrophobicContact CG-CE2 4.22Å; P138-F157 HydrophobicContact CG-CZ 4.21Å
139E82.7Confident80.4Confident2 Ų236.7 Ų36.71%0.00920%0.195CC..THydrogen-bonded Turntrans-71.5-16176-69.7-175.6-10800113.8N80 Y81 L137 A141 L149 F150 F152 A240N80-E139 WeakPolarHBondContact CA-OE1 3.22Å; N80-E139 WeakPolarHBondContact CB-OE1 3.47Å; Y81-E139 PolarHBondContact N-OE1 3.01Å; L137-E139 VanDerWaalsContact C-N 3.28Å; L137-E139 PolarHBondContact O-N 2.72Å; E139-A141 PolarHBondContact O-N 3.17Å; E139-L149 WeakPolarHBondContact OE1-CD1 3.33Å; E139-F150 HydrophobicContact CB-CB 4.38Å; E139-F150 HydrophobicContact CG-CB 4.15Å; E139-F150 WeakPolarHBondContact OE2-CB 3.47Å; E139-F150 PolarHBondContact OE2-N 2.61Å; E139-F152 HydrophobicContact CG-CD1 3.63Å; E139-F152 HydrophobicContact CG-CE1 3.43Å; E139-F152 VanDerWaalsContact CG-CE1 3.43Å; E139-A240 WeakPolarHBondContact O-CB 3.48Å
140K80.1Confident81Confident87 Ų8734 Ų3438%0.37818%0.18SC..SBendtrans61.7-29-175.3-63.5175.3170166.30116.8P138 D153 M156 A240 E241P138-K140 VanDerWaalsContact C-N 3.26Å; P138-K140 PolarHBondContact O-N 2.59Å; K140-D153 HydrophobicContact CD-CB 4.48Å; K140-D153 WeakPolarHBondContact CE-OD2 3.5Å; K140-D153 IonicContact NZ-OD2 2.72Å; K140-D153 PolarHBondContact NZ-OD2 3.13Å; K140-M156 HydrophobicContact CG-CE 4.27Å; K140-A240 HydrophobicContact CB-CB 4.18Å; K140-E241 IonicContact NZ-OE1 2.63Å; K140-E241 PolarHBondContact NZ-OE1 3.37Å
141A80.9Confident82.2Confident19 Ų1933.2 Ų33.216%0.15717%0.171CC..SBendtrans-134.3152.7175.100000111.8Y81 E139 S143 A240Y81-A141 WeakPolarHBondContact CD1-O 3.37Å; E139-A141 PolarHBondContact O-N 3.17Å; A141-S143 PolarHBondContact O-N 3.31Å; A141-A240 HydrophobicContact CB-CB 3.42Å; A141-A240 VanDerWaalsContact CB-CB 3.42Å
142P84.1Confident83.2Confident6 Ų628 Ų284%0.03915%0.147CC..  trans-69.8129.7178.527.9-35.4000111.6Y81 L84 G144 V179 H181 V183Y81-P142 HydrophobicContact CD2-CB 4.3Å; Y81-P142 HydrophobicContact CE2-CB 4.33Å; Y81-P142 HydrophobicContact CG-CB 4.47Å; Y81-P142 CarbonylContact O-C 3.58Å; Y81-P142 VanDerWaalsContact O-CA 3.25Å; Y81-P142 WeakPolarHBondContact O-CA 3.5Å; L84-P142 HydrophobicContact CD2-CG 4.18Å; P142-G144 VanDerWaalsContact C-N 3.31Å; P142-G144 PolarHBondContact O-N 3.28Å; P142-V179 HydrophobicContact CB-CG1 4.41Å; P142-V179 HydrophobicContact CB-CG2 4.1Å; P142-V179 HydrophobicContact CG-CG1 3.95Å; P142-V179 HydrophobicContact CG-CG2 4.38Å; P142-H181 PolarHBondContact O-CE1 3.02Å; P142-H181 PolarHBondContact O-NE2 3.31Å; P142-V183 HydrophobicContact CG-CG2 4.03Å
143S83.1Confident83.7Confident14 Ų1426.6 Ų26.610%0.09814%0.141CC..  trans-69.4-28176.768.40000113Y81 A141 L145 F150Y81-S143 PolarHBondContact O-N 3.24Å; Y81-S143 PolarHBondContact O-OG 3.24Å; A141-S143 PolarHBondContact O-N 3.31Å; S143-L145 PolarHBondContact O-N 2.92Å; S143-L145 PolarHBondContact OG-N 2.98Å; S143-L145 PolarHBondContact OG-O 2.89Å; S143-F150 VanDerWaalsContact CA-CE2 3.49Å
144G80.9Confident84.1Confident4 Ų429.7 Ų29.74%0.04115%0.15CC..SBendtrans70.1-0.8-17600000114.5V82 P142 L178V82-G144 WeakPolarHBondContact O-CA 3.21Å; V82-G144 PolarHBondContact O-N 3.48Å; V82-G144 VanDerWaalsContact O-N 3.13Å; P142-G144 VanDerWaalsContact C-N 3.31Å; P142-G144 PolarHBondContact O-N 3.28Å; G144-L178 WeakPolarHBondContact O-CB 3.44Å
145L79.5Confident84.1Confident103 Ų10335.7 Ų35.754%0.53918%0.176SC..  trans-142.5138.9174.5-79.593.2000109.4S143 D147S143-L145 PolarHBondContact O-N 2.92Å; S143-L145 PolarHBondContact OG-N 2.98Å; S143-L145 PolarHBondContact OG-O 2.89Å; L145-D147 VanDerWaalsContact C-N 3.26Å; L145-D147 PolarHBondContact O-N 2.97Å
146S78.6Confident83.9Confident9 Ų936.3 Ų36.36%0.06318%0.179CC..THydrogen-bonded Turntrans-78-12.9177.4-55.20000113.2V170S146-V170 PolarHBondContact OG-N 3.37Å; S146-V170 PolarHBondContact OG-O 2.8Å
147D79.6Confident83.7Confident91 Ų9136.2 Ų36.249%0.48718%0.179SC..THydrogen-bonded Turntrans-92.9-1-173.6-52.6-33.5000113.1L145 A233 T234L145-D147 VanDerWaalsContact C-N 3.26Å; L145-D147 PolarHBondContact O-N 2.97Å; D147-A233 CarbonylContact O-C 3.51Å; D147-A233 WeakPolarHBondContact O-CA 3.36Å; D147-T234 PolarHBondContact O-N 3.12Å; D147-T234 PolarHBondContact O-OG1 3.01Å
148C81.4Confident83.3Confident37 Ų3737.4 Ų37.425%0.2519%0.191CC..EExtended strand (participates in β ladder)trans-133.3128.7177.9-177.30000109.1
149L86.2Confident82.8Confident1 Ų139.4 Ų39.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-116120.2-179.4-167.269.1000109.5N80 E139 F152 R224 I227 A228 T234 L235 S236N80-L149 HydrophobicContact CB-CD1 3.3Å; E139-L149 WeakPolarHBondContact OE1-CD1 3.33Å; L149-F152 HydrophobicContact CD1-CE1 3.86Å; L149-F152 HydrophobicContact CD1-CZ 4.21Å; L149-F152 HydrophobicContact CD2-CE1 4.04Å; L149-F152 HydrophobicContact CD2-CZ 4.05Å; L149-F152 HydrophobicContact CG-CE1 3.88Å; L149-F152 HydrophobicContact CG-CZ 4.34Å; L149-R224 HydrophobicContact CD2-CG 3.54Å; L149-R224 WeakPolarHBondContact CD2-O 3.17Å; L149-R224 HydrophobicContact CG-CG 4.28Å; L149-I227 HydrophobicContact CD2-CB 4.43Å; L149-I227 HydrophobicContact CD2-CG2 4.26Å; L149-A228 HydrophobicContact CD2-CB 3.95Å; L149-T234 PolarHBondContact N-O 2.99Å; L149-L235 HydrophobicContact CD2-CD2 4.32Å; L149-S236 PolarHBondContact O-N 2.89Å
150F85.5Confident82.8Confident20 Ų2039.6 Ų39.69%0.08821%0.207CC..PPolyproline II helixtrans-70.4163.7176.6-66.2-41.7000111.7E139 S143 F152 L243E139-F150 HydrophobicContact CB-CB 4.38Å; E139-F150 HydrophobicContact CG-CB 4.15Å; E139-F150 WeakPolarHBondContact OE2-CB 3.47Å; E139-F150 PolarHBondContact OE2-N 2.61Å; S143-F150 VanDerWaalsContact CA-CE2 3.49Å; F150-F152 WeakPolarHBondContact O-CD1 3.46Å; F150-F152 PolarHBondContact O-N 3.22Å; F150-L243 HydrophobicContact CE2-CD2 4.09Å; F150-L243 HydrophobicContact CZ-CD2 3.85Å
151K87.9Confident83Confident101 Ų10140.2 Ų40.244%0.43921%0.214SC..PPolyproline II helixtrans-68.1131.6175.2177.6168.6176.9-178.70110.1I238 N239K151-I238 PolarHBondContact N-O 2.93Å; K151-N239 WeakPolarHBondContact CB-OD1 3.25Å; K151-N239 VanDerWaalsContact CD-OD1 3.25Å; K151-N239 WeakPolarHBondContact CD-OD1 3.37Å; K151-N239 VanDerWaalsContact CG-OD1 3.24Å; K151-N239 WeakPolarHBondContact CG-OD1 3.15Å
152F90.1Very high83.4Confident6 Ų643.7 Ų43.73%0.02623%0.226CC..PPolyproline II helixtrans-78.9144.4-178-76.39.4000111.1V78 P138 E139 L149 F150 Y154 F157 C220 R224 I227V78-F152 HydrophobicContact CG1-CE2 4.3Å; P138-F152 HydrophobicContact CB-CB 3.82Å; P138-F152 HydrophobicContact CB-CD1 4.3Å; P138-F152 HydrophobicContact CB-CD2 4.02Å; P138-F152 HydrophobicContact CB-CG 3.79Å; P138-F152 HydrophobicContact CG-CB 4.08Å; P138-F152 HydrophobicContact CG-CD1 3.8Å; P138-F152 HydrophobicContact CG-CD2 3.34Å; P138-F152 HydrophobicContact CG-CE1 4.01Å; P138-F152 HydrophobicContact CG-CE2 3.57Å; P138-F152 HydrophobicContact CG-CG 3.46Å; P138-F152 VanDerWaalsContact CG-CG 3.46Å; P138-F152 HydrophobicContact CG-CZ 3.89Å; E139-F152 HydrophobicContact CG-CD1 3.63Å; E139-F152 HydrophobicContact CG-CE1 3.43Å; E139-F152 VanDerWaalsContact CG-CE1 3.43Å; L149-F152 HydrophobicContact CD1-CE1 3.86Å; L149-F152 HydrophobicContact CD1-CZ 4.21Å; L149-F152 HydrophobicContact CD2-CE1 4.04Å; L149-F152 HydrophobicContact CD2-CZ 4.05Å; L149-F152 HydrophobicContact CG-CE1 3.88Å; L149-F152 HydrophobicContact CG-CZ 4.34Å; F150-F152 WeakPolarHBondContact O-CD1 3.46Å; F150-F152 PolarHBondContact O-N 3.22Å; F152-Y154 PolarHBondContact O-N 3.48Å; F152-F157 HydrophobicContact CD2-CE2 4.42Å; F152-F157 HydrophobicContact CD2-CZ 4.25Å; F152-C220 WeakPolarHBondContact CB-SG 3.14Å; F152-R224 HydrophobicContact CD1-CG 3.91Å; F152-R224 HydrophobicContact CD2-CB 3.63Å; F152-R224 HydrophobicContact CD2-CG 3.93Å; F152-R224 HydrophobicContact CE1-CG 3.93Å; F152-R224 HydrophobicContact CE2-CB 3.76Å; F152-R224 HydrophobicContact CE2-CG 3.97Å; F152-R224 HydrophobicContact CG-CB 4.06Å; F152-R224 HydrophobicContact CG-CG 3.92Å; F152-R224 HydrophobicContact CZ-CB 4.26Å; F152-R224 HydrophobicContact CZ-CG 3.98Å; F152-I227 HydrophobicContact CE2-CD1 4.08Å; F152-I227 HydrophobicContact CZ-CD1 4.06Å
153D85.9Confident83.7Confident26 Ų2643.4 Ų43.414%0.13922%0.224CC..  trans-79.9104.3169.4-170.42.5000110.7P138 K140 K155 M156P138-D153 PolarHBondContact O-N 2.74Å; K140-D153 HydrophobicContact CD-CB 4.48Å; K140-D153 WeakPolarHBondContact CE-OD2 3.5Å; K140-D153 IonicContact NZ-OD2 2.72Å; K140-D153 PolarHBondContact NZ-OD2 3.13Å; D153-K155 PolarHBondContact O-N 3.17Å; D153-K155 VanDerWaalsContact O-N 3.12Å; D153-K155 WeakPolarHBondContact OD1-CB 3.19Å; D153-K155 VanDerWaalsContact OD1-CG 3.32Å; D153-K155 WeakPolarHBondContact OD1-CG 3.45Å; D153-K155 PolarHBondContact OD1-N 2.75Å; D153-K155 VanDerWaalsContact OD1-N 3.16Å; D153-M156 PolarHBondContact O-N 3.29Å
154Y86.8Confident84.1Confident90 Ų9042.8 Ų42.835%0.35322%0.22SC..G310 helixtrans-58.4-24179.369.3-87.9000113F152 M156 F157 D216 E217F152-Y154 PolarHBondContact O-N 3.48Å; Y154-M156 PolarHBondContact O-N 2.88Å; Y154-M156 VanDerWaalsContact O-N 3.08Å; Y154-F157 WeakPolarHBondContact O-CB 3.37Å; Y154-F157 PolarHBondContact O-N 3.44Å; Y154-D216 HydrophobicContact CD2-CB 4.11Å; Y154-E217 HydrophobicContact CD1-CG 3.97Å; Y154-E217 HydrophobicContact CD2-CG 3.84Å; Y154-E217 VanDerWaalsContact CD2-OE1 3.3Å; Y154-E217 WeakPolarHBondContact CD2-OE1 3.48Å; Y154-E217 HydrophobicContact CE1-CG 4.34Å; Y154-E217 HydrophobicContact CE2-CG 4.21Å; Y154-E217 WeakPolarHBondContact CE2-OE1 3.29Å; Y154-E217 HydrophobicContact CG-CG 3.7Å; Y154-E217 VanDerWaalsContact CZ-OE1 3.32Å
155K84.2Confident84.7Confident129 Ų12942.6 Ų42.656%0.56122%0.218SC*.G310 helixtrans-59.1-24.4178.4-64.5175.4-178177.60113P120 D153 F157P120-K155 VanDerWaalsContact CG-O 3.25Å; P120-K155 WeakPolarHBondContact CG-O 3.46Å; D153-K155 PolarHBondContact O-N 3.17Å; D153-K155 VanDerWaalsContact O-N 3.12Å; D153-K155 WeakPolarHBondContact OD1-CB 3.19Å; D153-K155 VanDerWaalsContact OD1-CG 3.32Å; D153-K155 WeakPolarHBondContact OD1-CG 3.45Å; D153-K155 PolarHBondContact OD1-N 2.75Å; D153-K155 VanDerWaalsContact OD1-N 3.16Å; K155-F157 PolarHBondContact O-N 2.93Å
156M81.8Confident85.3Confident13 Ų1337.7 Ų37.76%0.06419%0.192CC..G310 helixtrans-72.1-18.4176.5-62.1-163.1-177.200113.2V119 P138 K140 D153 Y154V119-M156 HydrophobicContact CG1-CG 4.46Å; P138-M156 HydrophobicContact CB-SD 4.19Å; K140-M156 HydrophobicContact CG-CE 4.27Å; D153-M156 PolarHBondContact O-N 3.29Å; Y154-M156 PolarHBondContact O-N 2.88Å; Y154-M156 VanDerWaalsContact O-N 3.08Å
157F84.3Confident86Confident0 Ų037.4 Ų37.40%019%0.19CC..G310 helixtrans-98.2-7.7-175.8-64.6-95.6000113.7V78 P138 F152 Y154 K155 S159 V160 V163 F219 C220 V223V78-F157 HydrophobicContact CG1-CE1 4.16Å; V78-F157 HydrophobicContact CG1-CZ 3.81Å; V78-F157 HydrophobicContact CG2-CE1 3.86Å; V78-F157 HydrophobicContact CG2-CZ 4.25Å; P138-F157 HydrophobicContact CB-CE2 3.86Å; P138-F157 HydrophobicContact CB-CZ 4.35Å; P138-F157 HydrophobicContact CG-CE2 4.22Å; P138-F157 HydrophobicContact CG-CZ 4.21Å; F152-F157 HydrophobicContact CD2-CE2 4.42Å; F152-F157 HydrophobicContact CD2-CZ 4.25Å; Y154-F157 WeakPolarHBondContact O-CB 3.37Å; Y154-F157 PolarHBondContact O-N 3.44Å; K155-F157 PolarHBondContact O-N 2.93Å; F157-S159 PolarHBondContact O-N 3.4Å; F157-V160 PolarHBondContact O-N 2.96Å; F157-V163 HydrophobicContact CD1-CG1 4.31Å; F157-V163 HydrophobicContact CE1-CG1 4.31Å; F157-F219 HydrophobicContact CB-CD1 4.05Å; F157-F219 HydrophobicContact CB-CE1 4.41Å; F157-F219 AromaticContact CD1-CD1 3.93Å; F157-F219 HydrophobicContact CD1-CD1 3.93Å; F157-F219 AromaticContact CD1-CE1 3.76Å; F157-F219 HydrophobicContact CD1-CE1 3.76Å; F157-F219 HydrophobicContact CG-CD1 4.35Å; F157-C220 HydrophobicContact CD2-CB 3.82Å; F157-C220 HydrophobicContact CE2-CB 4.03Å; F157-C220 VanDerWaalsContact CE2-SG 3.52Å; F157-C220 HydrophobicContact CG-CB 4.28Å; F157-V223 HydrophobicContact CE1-CB 4.32Å; F157-V223 HydrophobicContact CE1-CG1 4.18Å; F157-V223 HydrophobicContact CE1-CG2 4.26Å; F157-V223 HydrophobicContact CZ-CG1 4.35Å
158G80.5Confident86.6Confident27 Ų2733.1 Ų33.128%0.27817%0.167SC..THydrogen-bonded Turntrans-60.9-7.9-169.300000116.7D216G158-D216 WeakPolarHBondContact CA-OD2 3.48Å
159S75Confident87.1Confident43 Ų4335.8 Ų35.830%0.30117%0.174SC..THydrogen-bonded Turntrans-131.718.7175-520000113.9P120 L124 F157P120-S159 WeakPolarHBondContact CB-OG 3.17Å; L124-S159 WeakPolarHBondContact CD2-O 3.38Å; F157-S159 PolarHBondContact O-N 3.4Å
160V83.2Confident87.3Confident6 Ų636 Ų364%0.03618%0.176CC..  trans-115118.2-175.4-171.70000110.5P76 V123 F157 K162 V163 F219P76-V160 HydrophobicContact CG-CG1 3.48Å; P76-V160 VanDerWaalsContact CG-CG1 3.48Å; V123-V160 HydrophobicContact CB-CG2 4.26Å; V123-V160 HydrophobicContact CG1-CG2 3.68Å; F157-V160 PolarHBondContact O-N 2.96Å; V160-K162 VanDerWaalsContact CG1-O 3.28Å; V160-K162 WeakPolarHBondContact CG1-O 3.38Å; V160-V163 HydrophobicContact CB-CG1 4.31Å; V160-V163 HydrophobicContact CG1-CG1 3.45Å; V160-V163 VanDerWaalsContact CG1-CG1 3.45Å; V160-F219 WeakPolarHBondContact O-CE1 3.38Å
161D84.1Confident87.5Confident100 Ų10039.2 Ų39.254%0.53519%0.191SC..SBendtrans-87.4-23.4179.9-63.2-37.4000113S209 R210D161-S209 CarbonylContact O-C 3.56Å; D161-S209 WeakPolarHBondContact O-CA 3.27Å; D161-R210 WeakPolarHBondContact O-CB 3.37Å; D161-R210 PolarHBondContact O-N 3.35Å
162K87.9Confident87.4Confident92 Ų9235.8 Ų35.840%0.418%0.175SC..EExtended strand (participates in β ladder)trans-146.5131.3-177.9-160.8-176.2180175.70110.4M75 P76 V160 I208M75-K162 HydrophobicContact SD-CB 4.23Å; M75-K162 HydrophobicContact SD-CD 3.77Å; M75-K162 HydrophobicContact SD-CG 3.56Å; M75-K162 VanDerWaalsContact SD-CG 3.56Å; P76-K162 WeakPolarHBondContact CD-O 3.47Å; V160-K162 VanDerWaalsContact CG1-O 3.28Å; V160-K162 WeakPolarHBondContact CG1-O 3.38Å; K162-I208 WeakPolarHBondContact CA-O 3.07Å
163V90.5Very high87Confident0 Ų041.5 Ų41.50%020%0.204CC..EExtended strand (participates in β ladder)trans-127.6153.1179.3-63.60000111.2P76 V78 F157 V160 P165 P207 I208 F219 V223P76-V163 HydrophobicContact CG-CG1 4.24Å; V78-V163 HydrophobicContact CG2-CB 3.84Å; V78-V163 HydrophobicContact CG2-CG1 3.81Å; V78-V163 HydrophobicContact CG2-CG2 4.42Å; F157-V163 HydrophobicContact CD1-CG1 4.31Å; F157-V163 HydrophobicContact CE1-CG1 4.31Å; V160-V163 HydrophobicContact CB-CG1 4.31Å; V160-V163 HydrophobicContact CG1-CG1 3.45Å; V160-V163 VanDerWaalsContact CG1-CG1 3.45Å; V163-P165 WeakPolarHBondContact O-CD 3.24Å; V163-P207 WeakPolarHBondContact O-CA 3.38Å; V163-I208 HydrophobicContact CG2-CB 4.25Å; V163-I208 PolarHBondContact N-O 3.12Å; V163-I208 PolarHBondContact O-N 3.42Å; V163-F219 HydrophobicContact CG1-CE1 4.25Å; V163-F219 HydrophobicContact CG1-CZ 4.17Å; V163-F219 HydrophobicContact CG2-CZ 3.84Å; V163-V223 HydrophobicContact CG2-CG1 4.31Å; V163-V223 HydrophobicContact CG2-CG2 3.62Å
164Q91.8Very high86.7Confident1 Ų142.6 Ų42.61%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-103.4101.6170.1-172.752.691.100109.2T69 M75 P76 F77 V78 Y204 L205T69-Q164 PolarHBondContact OG1-OE1 3.36Å; M75-Q164 HydrophobicContact CE-CB 3.47Å; M75-Q164 VanDerWaalsContact CE-CB 3.47Å; M75-Q164 HydrophobicContact CE-CG 4Å; M75-Q164 HydrophobicContact CG-CB 4.13Å; M75-Q164 HydrophobicContact SD-CB 4.19Å; P76-Q164 PolarHBondContact O-N 3.47Å; F77-Q164 WeakPolarHBondContact CA-O 3.3Å; F77-Q164 HydrophobicContact CD1-CB 3.6Å; F77-Q164 HydrophobicContact CD1-CG 3.44Å; F77-Q164 VanDerWaalsContact CD1-CG 3.44Å; F77-Q164 HydrophobicContact CE1-CB 3.95Å; F77-Q164 HydrophobicContact CE1-CG 3.46Å; F77-Q164 VanDerWaalsContact CE1-CG 3.46Å; F77-Q164 HydrophobicContact CG-CB 4.46Å; V78-Q164 PolarHBondContact N-O 3.31Å; Q164-Y204 HydrophobicContact CG-CD1 4.31Å; Q164-L205 PolarHBondContact NE2-O 2.78Å
165P93.2Very high86.4Confident0 Ų039.4 Ų39.40%020%0.198CC..EExtended strand (participates in β ladder)trans-70.8141176.3-11.126.5000110.4V78 V163 L205 T206 I208 V223 I227V78-P165 CarbonylContact O-C 3.56Å; V78-P165 WeakPolarHBondContact O-CA 3.47Å; V163-P165 WeakPolarHBondContact O-CD 3.24Å; P165-L205 HydrophobicContact CB-CB 4.11Å; P165-L205 HydrophobicContact CB-CD1 4.07Å; P165-L205 HydrophobicContact CB-CG 4.45Å; P165-L205 HydrophobicContact CG-CB 4.46Å; P165-L205 PolarHBondContact O-N 2.94Å; P165-T206 WeakPolarHBondContact CD-O 3.47Å; P165-I208 HydrophobicContact CG-CB 4.43Å; P165-I208 HydrophobicContact CG-CD1 3.55Å; P165-I208 HydrophobicContact CG-CG1 3.7Å; P165-V223 HydrophobicContact CB-CG1 4.39Å; P165-V223 HydrophobicContact CG-CG1 4.35Å; P165-I227 HydrophobicContact CB-CD1 4.15Å; P165-I227 HydrophobicContact CB-CG1 3.85Å
166V92.8Very high86.2Confident0 Ų033.6 Ų33.60%017%0.173CC..EExtended strand (participates in β ladder)trans-131.5119.2179.5-173.70000108.8F77 V78 S79 L90 L168 V202 K203 Y204F77-V166 HydrophobicContact CB-CG2 4.2Å; F77-V166 HydrophobicContact CD1-CG2 3.75Å; F77-V166 HydrophobicContact CG-CG2 4.39Å; V78-V166 PolarHBondContact O-N 3.19Å; S79-V166 VanDerWaalsContact CA-O 3.25Å; S79-V166 WeakPolarHBondContact CA-O 3.49Å; S79-V166 WeakPolarHBondContact CB-O 3.36Å; L90-V166 HydrophobicContact CD2-CG1 4.18Å; V166-L168 HydrophobicContact CG1-CD2 4.13Å; V166-V202 HydrophobicContact CG1-CG1 3.64Å; V166-K203 WeakPolarHBondContact CA-O 3.23Å; V166-Y204 HydrophobicContact CG1-CD1 4.42Å; V166-Y204 HydrophobicContact CG1-CE1 4.33Å; V166-Y204 HydrophobicContact CG2-CD1 3.69Å; V166-Y204 HydrophobicContact CG2-CE1 3.73Å
167A92.9Very high86.3Confident2 Ų237.5 Ų37.52%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-91.8113.417600000109.7K203 L205 I227 L231A167-K203 HydrophobicContact CB-CB 4.37Å; A167-K203 PolarHBondContact N-O 3.22Å; A167-K203 PolarHBondContact O-N 3.31Å; A167-L205 HydrophobicContact CB-CD1 4.48Å; A167-I227 HydrophobicContact CB-CG2 4.4Å; A167-L231 HydrophobicContact CB-CD2 3.85Å; A167-L231 HydrophobicContact CB-CG 3.92Å
168L92.4Very high86.4Confident2 Ų238.3 Ų38.31%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-97.1119.8175.3-60.4178.7000109.7N80 V82 D86 L90 V166 V202N80-L168 PolarHBondContact ND2-O 2.9Å; N80-L168 WeakPolarHBondContact OD1-CB 3.49Å; N80-L168 PolarHBondContact OD1-N 2.64Å; V82-L168 HydrophobicContact CG2-CB 4.5Å; D86-L168 HydrophobicContact CB-CD1 3.8Å; L90-L168 HydrophobicContact CD1-CD1 4.05Å; L90-L168 HydrophobicContact CD1-CD2 4.29Å; L90-L168 HydrophobicContact CD2-CD2 4.5Å; L90-L168 HydrophobicContact CG-CD2 4.44Å; V166-L168 HydrophobicContact CG1-CD2 4.13Å; L168-V202 HydrophobicContact CD2-CB 4.18Å; L168-V202 HydrophobicContact CD2-CG1 3.94Å; L168-V202 HydrophobicContact CD2-CG2 3.77Å
169K91.8Very high86.5Confident92 Ų9237.6 Ų37.640%0.418%0.184SC..EExtended strand (participates in β ladder)trans-114.7117.7170.3-177.3170.6-171.9164.10109.2H201 L231K169-H201 HydrophobicContact CB-CB 4.17Å; K169-H201 PolarHBondContact N-O 3.18Å; K169-H201 PolarHBondContact O-N 3.27Å; K169-L231 HydrophobicContact CB-CD2 4.02Å
170V91.2Very high86.8Confident6 Ų637.1 Ų37.14%0.03618%0.18CC..EExtended strand (participates in β ladder)trans-117.4130-176.6-166.80000109V82 T83 S146 L178 T198 Y199 Y200V82-V170 HydrophobicContact CB-CB 4.5Å; V82-V170 HydrophobicContact CB-CG2 3.97Å; V82-V170 HydrophobicContact CG1-CB 3.99Å; V82-V170 HydrophobicContact CG1-CG2 4.02Å; V82-V170 HydrophobicContact CG2-CG2 4.3Å; T83-V170 HydrophobicContact CG2-CB 4.37Å; T83-V170 HydrophobicContact CG2-CG1 4.04Å; T83-V170 HydrophobicContact CG2-CG2 4.35Å; S146-V170 PolarHBondContact OG-N 3.37Å; S146-V170 PolarHBondContact OG-O 2.8Å; V170-L178 HydrophobicContact CB-CD1 4.28Å; V170-L178 HydrophobicContact CB-CD2 4.37Å; V170-L178 HydrophobicContact CG1-CD2 3.71Å; V170-L178 WeakPolarHBondContact O-CD1 3.05Å; V170-T198 HydrophobicContact CG1-CG2 3.51Å; V170-Y199 WeakPolarHBondContact CA-O 3.38Å; V170-Y200 HydrophobicContact CB-CD1 4.4Å; V170-Y200 HydrophobicContact CB-CE1 4.37Å; V170-Y200 HydrophobicContact CG1-CD1 4.06Å; V170-Y200 HydrophobicContact CG1-CD2 4.38Å; V170-Y200 HydrophobicContact CG1-CE1 3.81Å; V170-Y200 HydrophobicContact CG1-CE2 4.15Å; V170-Y200 HydrophobicContact CG1-CG 4.34Å; V170-Y200 HydrophobicContact CG2-CD1 3.51Å; V170-Y200 HydrophobicContact CG2-CE1 3.56Å; V170-Y200 HydrophobicContact CG2-CG 4.35Å
171H88.6Confident86.6Confident87 Ų8739.2 Ų39.240%0.40319%0.189SC..EExtended strand (participates in β ladder)trans-139.4147.1171.969.186.3000111.5Y199H171-Y199 AromaticContact CD2-CD1 3.6Å; H171-Y199 AromaticContact CE1-CD1 3.85Å; H171-Y199 AromaticContact CE1-CG 3.86Å; H171-Y199 PolarHBondContact N-O 2.9Å; H171-Y199 AromaticContact NE2-CD1 3.04Å; H171-Y199 WeakPolarHBondContact NE2-CD1 3.36Å; H171-Y199 AromaticContact NE2-CE1 3.8Å; H171-Y199 AromaticContact NE2-CG 3.51Å; H171-Y199 PolarHBondContact O-N 3.25Å
172R87.4Confident86.2Confident29 Ų2938.1 Ų38.111%0.10919%0.187CC..EExtended strand (participates in β ladder)trans-104.9138.5172.5-73.5176.2176.8160.67.5108.6I176 K177 L178 T195 T198R172-I176 WeakPolarHBondContact CD-O 3.45Å; R172-K177 PolarHBondContact NH1-O 3.22Å; R172-L178 HydrophobicContact CG-CD2 3.75Å; R172-L178 PolarHBondContact NH1-O 2.89Å; R172-L178 PolarHBondContact NH2-O 3.3Å; R172-T195 HydrophobicContact CB-CG2 4.4Å; R172-T195 HydrophobicContact CG-CG2 3.98Å; R172-T198 HydrophobicContact CG-CG2 3.87Å; R172-T198 WeakPolarHBondContact CG-OG1 3.3Å; R172-T198 PolarHBondContact NE-OG1 2.94Å
173I81.9Confident85.7Confident126 Ų12635.9 Ų35.965%0.64618%0.181SC*.SBendtrans-69.4-33173.3-57.8173.1000109.6F197I173-F197 HydrophobicContact CD1-CB 4.37Å
174F78.6Confident85.4Confident50 Ų5041.9 Ų41.922%0.21921%0.208CC..SBendtrans-84.5148.3178.4-90.6-105.3000112.1Y14 I176 P196Y14-F174 HydrophobicContact CD1-CD1 4.36Å; Y14-F174 AromaticContact CD1-CE1 3.8Å; Y14-F174 HydrophobicContact CD1-CE1 3.8Å; Y14-F174 HydrophobicContact CD1-CZ 4.41Å; Y14-F174 HydrophobicContact CD2-CE1 4.04Å; Y14-F174 AromaticContact CD2-CZ 3.91Å; Y14-F174 HydrophobicContact CD2-CZ 3.91Å; Y14-F174 HydrophobicContact CE1-CE1 4.34Å; Y14-F174 HydrophobicContact CE2-CZ 4.26Å; Y14-F174 AromaticContact CG-CE1 3.63Å; Y14-F174 HydrophobicContact CG-CE1 3.63Å; Y14-F174 AromaticContact CG-CZ 3.99Å; Y14-F174 HydrophobicContact CG-CZ 3.99Å; F174-I176 HydrophobicContact CB-CD1 4.34Å; F174-I176 HydrophobicContact CB-CG1 4.46Å; F174-I176 PolarHBondContact O-N 3.14Å; F174-P196 HydrophobicContact CD2-CG 3.3Å; F174-P196 HydrophobicContact CE2-CG 3.24Å; F174-P196 HydrophobicContact CG-CG 4.12Å; F174-P196 HydrophobicContact CZ-CG 4.02Å
175P80.8Confident84.9Confident22 Ų2248.1 Ų48.114%0.14323%0.231CC..SBendtrans-7851.7-175.234.3-37.8000112.8I3 V4 Y7 V11I3-P175 WeakPolarHBondContact CA-O 3.37Å; V4-P175 HydrophobicContact CB-CB 4.34Å; V4-P175 PolarHBondContact N-O 2.6Å; Y7-P175 HydrophobicContact CG-CB 4.38Å; Y7-P175 WeakPolarHBondContact O-CG 3.36Å; V11-P175 HydrophobicContact CG2-CG 4.04Å
176I80.2Confident84.5Confident7 Ų753 Ų534%0.03625%0.252CS..BIsolated β-bridgetrans-116.4120.5178.9-57.8170.6000106.8R172 F174 L178 W191 F194R172-I176 WeakPolarHBondContact CD-O 3.45Å; F174-I176 HydrophobicContact CB-CD1 4.34Å; F174-I176 HydrophobicContact CB-CG1 4.46Å; F174-I176 PolarHBondContact O-N 3.14Å; I176-L178 PolarHBondContact O-N 3.06Å; I176-W191 HydrophobicContact CD1-CE3 4.1Å; I176-W191 HydrophobicContact CD1-CZ3 4.18Å; I176-W191 HydrophobicContact CG2-CE3 3.98Å; I176-F194 HydrophobicContact CD1-CD1 3.78Å; I176-F194 HydrophobicContact CD1-CE1 4.07Å
177K84.3Confident84.2Confident95 Ų9557.2 Ų57.241%0.41327%0.274SS..  trans-53.2139.6176.1-70.9178.1-179.7176.30110.9M1 R2 V4 R172 V179 V180M1-K177 PolarHBondContact O-NZ 2.89Å; R2-K177 WeakPolarHBondContact O-CG 3.44Å; R2-K177 PolarHBondContact O-N 3.41Å; V4-K177 HydrophobicContact CG2-CG 3.98Å; R172-K177 PolarHBondContact NH1-O 3.22Å; K177-V179 PolarHBondContact O-N 3.25Å; K177-V180 HydrophobicContact CB-CG2 3.81Å; K177-V180 HydrophobicContact CD-CG2 3.78Å; K177-V180 HydrophobicContact CG-CG2 4.45Å
178L84.4Confident83.9Confident17 Ų1757.2 Ų57.29%0.08927%0.273CS..SBendtrans-60.8-46.2-177-71.2163.1000111.9V82 T83 G144 V170 R172 I176 T198V82-L178 HydrophobicContact CG1-CD1 3.9Å; T83-L178 HydrophobicContact CG2-CB 4.38Å; T83-L178 HydrophobicContact CG2-CD2 4.24Å; G144-L178 WeakPolarHBondContact O-CB 3.44Å; V170-L178 HydrophobicContact CB-CD1 4.28Å; V170-L178 HydrophobicContact CB-CD2 4.37Å; V170-L178 HydrophobicContact CG1-CD2 3.71Å; V170-L178 WeakPolarHBondContact O-CD1 3.05Å; R172-L178 HydrophobicContact CG-CD2 3.75Å; R172-L178 PolarHBondContact NH1-O 2.89Å; R172-L178 PolarHBondContact NH2-O 3.3Å; I176-L178 PolarHBondContact O-N 3.06Å; L178-T198 HydrophobicContact CD2-CG2 4.32Å
179V84.3Confident83.7Confident12 Ų1257.7 Ų57.77%0.07328%0.276CS..  trans-142145.5176.5177.80000108.8P142 K177 V183P142-V179 HydrophobicContact CB-CG1 4.41Å; P142-V179 HydrophobicContact CB-CG2 4.1Å; P142-V179 HydrophobicContact CG-CG1 3.95Å; P142-V179 HydrophobicContact CG-CG2 4.38Å; K177-V179 PolarHBondContact O-N 3.25Å; V179-V183 HydrophobicContact CG1-CG1 4.17Å; V179-V183 HydrophobicContact CG1-CG2 3.62Å
180V80.4Confident83.6Confident34 Ų3455.8 Ų55.821%0.20627%0.27CS..  trans-127.2126.1170.31760000109.6R2 K177 P182 E188R2-V180 HydrophobicContact CB-CG2 4.36Å; R2-V180 HydrophobicContact CG-CB 4.24Å; R2-V180 HydrophobicContact CG-CG2 3.75Å; K177-V180 HydrophobicContact CB-CG2 3.81Å; K177-V180 HydrophobicContact CD-CG2 3.78Å; K177-V180 HydrophobicContact CG-CG2 4.45Å; V180-P182 CarbonylContact O-C 3.59Å; V180-P182 VanDerWaalsContact O-O 3.08Å; V180-E188 PolarHBondContact N-OE1 2.77Å
181H78.3Confident83.4Confident50 Ų5058.8 Ų58.823%0.23128%0.28CS..SBendtrans-81.2142.4176.4-70.2-85.4000111.1P142 V183 L243 T247P142-H181 PolarHBondContact O-CE1 3.02Å; P142-H181 PolarHBondContact O-NE2 3.31Å; H181-V183 WeakPolarHBondContact CE1-CG2 3.42Å; H181-V183 VanDerWaalsContact ND1-CG2 3.3Å; H181-V183 WeakPolarHBondContact ND1-CG2 3.48Å; H181-L243 VanDerWaalsContact CD2-CD2 3.5Å; H181-L243 WeakPolarHBondContact CD2-CD2 3.08Å; H181-L243 WeakPolarHBondContact NE2-CD2 3.1Å; H181-T247 HydrophobicContact CB-CG2 3.98Å
182P77.6Confident83.4Confident77 Ų7754.7 Ų54.750%0.526%0.261SS..SBendcis-68139.6-4.128.6-34.8000112.5V180 F184V180-P182 CarbonylContact O-C 3.59Å; V180-P182 VanDerWaalsContact O-O 3.08Å; P182-F184 HydrophobicContact CB-CE2 4.4Å; P182-F184 HydrophobicContact CG-CE2 3.79Å; P182-F184 HydrophobicContact CG-CZ 4.16Å; P182-F184 WeakPolarHBondContact O-CD2 3.43Å; P182-F184 PolarHBondContact O-N 3.46Å
183V77.1Confident83.6Confident45 Ų4553.3 Ų53.327%0.27326%0.256SS..  trans-78.6114.1-172.4-170.40000110.7L84 P142 V179 H181 E188L84-V183 HydrophobicContact CD1-CG1 3.58Å; L84-V183 HydrophobicContact CD2-CG1 4Å; L84-V183 HydrophobicContact CG-CG1 3.92Å; P142-V183 HydrophobicContact CG-CG2 4.03Å; V179-V183 HydrophobicContact CG1-CG1 4.17Å; V179-V183 HydrophobicContact CG1-CG2 3.62Å; H181-V183 WeakPolarHBondContact CE1-CG2 3.42Å; H181-V183 VanDerWaalsContact ND1-CG2 3.3Å; H181-V183 WeakPolarHBondContact ND1-CG2 3.48Å; V183-E188 HydrophobicContact CG1-CG 3.89Å
184F83.2Confident83.9Confident126 Ų12648.4 Ų48.455%0.55323%0.23SC*.  trans-103.6106.5169.6-63.9-76.5000109.2P182 F186 M187 E188P182-F184 HydrophobicContact CB-CE2 4.4Å; P182-F184 HydrophobicContact CG-CE2 3.79Å; P182-F184 HydrophobicContact CG-CZ 4.16Å; P182-F184 WeakPolarHBondContact O-CD2 3.43Å; P182-F184 PolarHBondContact O-N 3.46Å; F184-F186 PolarHBondContact O-N 3.19Å; F184-F186 VanDerWaalsContact O-N 3.13Å; F184-M187 HydrophobicContact CB-CB 4.02Å; F184-M187 HydrophobicContact CB-CG 4.03Å; F184-M187 PolarHBondContact O-N 3.36Å; F184-E188 PolarHBondContact O-N 3.29Å
185W82.4Confident84.4Confident132 Ų13246 Ų4650%0.522%0.22SC..Hα-helixtrans-52.2-40.9-174.272.8-96.5000113.2L84 V103 E188 L189L84-W185 HydrophobicContact CD1-CB 3.98Å; V103-W185 HydrophobicContact CG1-CB 4.07Å; V103-W185 HydrophobicContact CG1-CD2 3.67Å; V103-W185 HydrophobicContact CG1-CE3 3.23Å; V103-W185 HydrophobicContact CG1-CG 4.06Å; V103-W185 HydrophobicContact CG1-CZ3 3.88Å; V103-W185 HydrophobicContact CG2-CB 3.73Å; V103-W185 HydrophobicContact CG2-CG 4.45Å; W185-E188 PolarHBondContact O-N 3.12Å; W185-L189 HydrophobicContact CE3-CD2 4.48Å; W185-L189 HydrophobicContact CZ3-CD2 4.01Å; W185-L189 WeakPolarHBondContact O-CB 3.36Å; W185-L189 PolarHBondContact O-N 2.89Å
186F84.8Confident84.6Confident101 Ų10145.8 Ų45.844%0.44322%0.218SC..Hα-helixtrans-68.6-40.1-178179.6-103.3000111.4F184 L189 L190F184-F186 PolarHBondContact O-N 3.19Å; F184-F186 VanDerWaalsContact O-N 3.13Å; F186-L189 WeakPolarHBondContact O-CB 3.41Å; F186-L189 PolarHBondContact O-N 2.96Å; F186-L190 HydrophobicContact CD1-CD1 3.94Å; F186-L190 HydrophobicContact CD1-CG 4.37Å; F186-L190 HydrophobicContact CE1-CD1 3.37Å; F186-L190 HydrophobicContact CE1-CG 3.96Å; F186-L190 HydrophobicContact CZ-CD1 3.83Å; F186-L190 HydrophobicContact CZ-CD2 4.17Å; F186-L190 HydrophobicContact CZ-CG 4.04Å; F186-L190 WeakPolarHBondContact O-CG 3.45Å; F186-L190 PolarHBondContact O-N 3.02Å
187M85.9Confident85Confident90 Ų9050.7 Ų50.744%0.44324%0.239SC..Hα-helixtrans-67.5-42.1175.1-66.6-63.3171.600110.8F184 L189 L190 W191F184-M187 HydrophobicContact CB-CB 4.02Å; F184-M187 HydrophobicContact CB-CG 4.03Å; F184-M187 PolarHBondContact O-N 3.36Å; M187-L189 VanDerWaalsContact C-N 3.26Å; M187-L189 PolarHBondContact O-N 3.28Å; M187-L190 PolarHBondContact O-N 3.34Å; M187-L190 HydrophobicContact SD-CD1 4.21Å; M187-W191 PolarHBondContact O-N 2.84Å
188E86.9Confident85.3Confident2 Ų246.1 Ų46.11%0.00922%0.219CC..Hα-helixtrans-58.7-39.9173.9-63.9-52.8153.300112.1R2 L84 V180 V183 F184 W185 W191 Q192R2-E188 IonicContact CZ-OE1 3.43Å; R2-E188 IonicContact CZ-OE2 3.43Å; R2-E188 IonicContact NH1-OE1 3.77Å; R2-E188 PolarHBondContact NH1-OE1 2.91Å; R2-E188 IonicContact NH1-OE2 3.29Å; R2-E188 PolarHBondContact NH1-OE2 2.97Å; R2-E188 VanDerWaalsContact NH2-CD 3.35Å; R2-E188 IonicContact NH2-OE1 2.64Å; R2-E188 PolarHBondContact NH2-OE1 2.81Å; R2-E188 IonicContact NH2-OE2 2.67Å; L84-E188 HydrophobicContact CD1-CB 4Å; L84-E188 HydrophobicContact CD1-CG 3.89Å; V180-E188 PolarHBondContact N-OE1 2.77Å; V183-E188 HydrophobicContact CG1-CG 3.89Å; F184-E188 PolarHBondContact O-N 3.29Å; W185-E188 PolarHBondContact O-N 3.12Å; E188-W191 PolarHBondContact O-N 3.25Å; E188-Q192 WeakPolarHBondContact O-CB 3.47Å; E188-Q192 PolarHBondContact O-N 3Å
189L88.1Confident85.7Confident12 Ų1248.6 Ų48.66%0.06323%0.228CC..Hα-helixtrans-64.4-45.6175.6-178.260.6000112.4L57 F85 F104 W185 F186 M187 W191 Q192 F193L57-L189 HydrophobicContact CD2-CD1 3.59Å; F85-L189 HydrophobicContact CE1-CD1 4.09Å; F85-L189 HydrophobicContact CZ-CB 4.14Å; F85-L189 HydrophobicContact CZ-CD1 3.92Å; F104-L189 HydrophobicContact CE1-CD2 4.3Å; F104-L189 HydrophobicContact CZ-CD1 3.99Å; F104-L189 HydrophobicContact CZ-CD2 4.31Å; W185-L189 HydrophobicContact CE3-CD2 4.48Å; W185-L189 HydrophobicContact CZ3-CD2 4.01Å; W185-L189 WeakPolarHBondContact O-CB 3.36Å; W185-L189 PolarHBondContact O-N 2.89Å; F186-L189 WeakPolarHBondContact O-CB 3.41Å; F186-L189 PolarHBondContact O-N 2.96Å; M187-L189 VanDerWaalsContact C-N 3.26Å; M187-L189 PolarHBondContact O-N 3.28Å; L189-W191 PolarHBondContact O-N 2.92Å; L189-Q192 WeakPolarHBondContact O-CB 3.42Å; L189-Q192 PolarHBondContact O-N 2.87Å; L189-Q192 VanDerWaalsContact O-N 3.14Å; L189-F193 HydrophobicContact CD1-CD2 4.41Å; L189-F193 HydrophobicContact CD1-CE2 3.72Å; L189-F193 HydrophobicContact CD1-CZ 3.79Å; L189-F193 HydrophobicContact CD2-CE2 4.09Å; L189-F193 HydrophobicContact CG-CD2 4.17Å; L189-F193 HydrophobicContact CG-CE2 3.53Å; L189-F193 HydrophobicContact CG-CZ 4.09Å; L189-F193 VanDerWaalsContact O-CD2 3.25Å; L189-F193 WeakPolarHBondContact O-CD2 3.48Å; L189-F193 PolarHBondContact O-N 3.07Å
190L88.8Confident86.1Confident52 Ų5248 Ų4827%0.27223%0.225SC..Hα-helixtrans-61.1-43.7175.6-72.8-179.7000112.3F186 M187 Q192 F193 F194F186-L190 HydrophobicContact CD1-CD1 3.94Å; F186-L190 HydrophobicContact CD1-CG 4.37Å; F186-L190 HydrophobicContact CE1-CD1 3.37Å; F186-L190 HydrophobicContact CE1-CG 3.96Å; F186-L190 HydrophobicContact CZ-CD1 3.83Å; F186-L190 HydrophobicContact CZ-CD2 4.17Å; F186-L190 HydrophobicContact CZ-CG 4.04Å; F186-L190 WeakPolarHBondContact O-CG 3.45Å; F186-L190 PolarHBondContact O-N 3.02Å; M187-L190 PolarHBondContact O-N 3.34Å; M187-L190 HydrophobicContact SD-CD1 4.21Å; L190-Q192 PolarHBondContact O-N 3.25Å; L190-F193 PolarHBondContact O-N 2.9Å; L190-F194 PolarHBondContact O-N 3.29Å
191W87.5Confident86.6Confident69 Ų6948.8 Ų48.826%0.26123%0.226SC..Hα-helixtrans-66-30.1175.4-80.1103.8000112.3R2 I176 M187 E188 L189 F194 T195R2-W191 VanDerWaalsContact CZ-CD1 3.49Å; I176-W191 HydrophobicContact CD1-CE3 4.1Å; I176-W191 HydrophobicContact CD1-CZ3 4.18Å; I176-W191 HydrophobicContact CG2-CE3 3.98Å; M187-W191 PolarHBondContact O-N 2.84Å; E188-W191 PolarHBondContact O-N 3.25Å; L189-W191 PolarHBondContact O-N 2.92Å; W191-F194 HydrophobicContact CE3-CD1 4.02Å; W191-F194 AromaticContact CZ3-CD1 3.85Å; W191-F194 HydrophobicContact CZ3-CD1 3.85Å; W191-F194 HydrophobicContact CZ3-CE1 4.14Å; W191-F194 PolarHBondContact O-N 3.19Å; W191-T195 WeakPolarHBondContact O-CB 3.29Å; W191-T195 PolarHBondContact O-N 3.46Å; W191-T195 PolarHBondContact O-OG1 3.05Å
192Q88.7Confident87.3Confident0 Ų046.4 Ų46.40%022%0.215CC..Hα-helixtrans-68-42.2172.7-168.456.651.400111.6L57 F59 F85 E188 L189 L190 F194 T195 T198L57-Q192 HydrophobicContact CB-CG 4.02Å; L57-Q192 HydrophobicContact CD2-CB 4.26Å; L57-Q192 HydrophobicContact CD2-CG 3.79Å; L57-Q192 HydrophobicContact CG-CG 4.44Å; L57-Q192 PolarHBondContact O-NE2 3.42Å; F59-Q192 HydrophobicContact CE1-CG 3.7Å; F59-Q192 HydrophobicContact CZ-CG 3.99Å; F85-Q192 HydrophobicContact CE2-CB 4.12Å; F85-Q192 HydrophobicContact CE2-CG 4.28Å; E188-Q192 WeakPolarHBondContact O-CB 3.47Å; E188-Q192 PolarHBondContact O-N 3Å; L189-Q192 WeakPolarHBondContact O-CB 3.42Å; L189-Q192 PolarHBondContact O-N 2.87Å; L189-Q192 VanDerWaalsContact O-N 3.14Å; L190-Q192 PolarHBondContact O-N 3.25Å; Q192-F194 VanDerWaalsContact C-N 3.26Å; Q192-F194 PolarHBondContact O-N 3.17Å; Q192-T195 PolarHBondContact O-N 3.34Å; Q192-T195 VanDerWaalsContact O-N 3.15Å; Q192-T198 PolarHBondContact NE2-OG1 3.24Å
193F90.6Very high88Confident1 Ų145.9 Ų45.90%0.00420%0.204CC..Hα-helixtrans-61.7-36.5173.3-68.9-51.9000112.4V22 R25 L26 F29 V56 L57 L189 L190 T195V22-F193 HydrophobicContact CB-CB 4.42Å; V22-F193 HydrophobicContact CG1-CB 4.25Å; V22-F193 HydrophobicContact CG2-CB 4Å; R25-F193 HydrophobicContact CB-CD1 3.64Å; R25-F193 HydrophobicContact CB-CE1 4.25Å; R25-F193 HydrophobicContact CB-CG 4.37Å; R25-F193 WeakPolarHBondContact CD-O 3.37Å; R25-F193 PolarHBondContact NH1-O 3.32Å; L26-F193 HydrophobicContact CD2-CD2 3.59Å; L26-F193 HydrophobicContact CD2-CE2 3.36Å; L26-F193 HydrophobicContact CD2-CG 4.46Å; L26-F193 HydrophobicContact CD2-CZ 4.08Å; L26-F193 HydrophobicContact CG-CD2 4.08Å; L26-F193 HydrophobicContact CG-CE2 4.24Å; F29-F193 HydrophobicContact CB-CE1 3.87Å; F29-F193 HydrophobicContact CB-CZ 3.78Å; F29-F193 AromaticContact CD1-CZ 3.88Å; F29-F193 HydrophobicContact CD1-CZ 3.88Å; F29-F193 AromaticContact CD2-CE1 4Å; F29-F193 HydrophobicContact CD2-CE1 4Å; F29-F193 AromaticContact CD2-CZ 3.87Å; F29-F193 HydrophobicContact CD2-CZ 3.87Å; F29-F193 HydrophobicContact CE1-CZ 4.49Å; F29-F193 HydrophobicContact CE2-CZ 4.48Å; F29-F193 AromaticContact CG-CE1 3.93Å; F29-F193 HydrophobicContact CG-CE1 3.93Å; F29-F193 AromaticContact CG-CZ 3.55Å; F29-F193 HydrophobicContact CG-CZ 3.55Å; V56-F193 HydrophobicContact CG1-CE1 4.1Å; L57-F193 HydrophobicContact CD2-CD1 4.04Å; L57-F193 HydrophobicContact CD2-CE1 3.63Å; L57-F193 HydrophobicContact CD2-CZ 4.08Å; L189-F193 HydrophobicContact CD1-CD2 4.41Å; L189-F193 HydrophobicContact CD1-CE2 3.72Å; L189-F193 HydrophobicContact CD1-CZ 3.79Å; L189-F193 HydrophobicContact CD2-CE2 4.09Å; L189-F193 HydrophobicContact CG-CD2 4.17Å; L189-F193 HydrophobicContact CG-CE2 3.53Å; L189-F193 HydrophobicContact CG-CZ 4.09Å; L189-F193 VanDerWaalsContact O-CD2 3.25Å; L189-F193 WeakPolarHBondContact O-CD2 3.48Å; L189-F193 PolarHBondContact O-N 3.07Å; L190-F193 PolarHBondContact O-N 2.9Å; F193-T195 VanDerWaalsContact C-N 3.34Å
194F89.8Confident88.7Confident23 Ų2343.8 Ų43.810%0.10119%0.192CC..Hα-helixtrans-73.3-24.1176.7-172.8-97000113.1V11 Y14 V22 I176 L190 W191 Q192V11-F194 HydrophobicContact CG1-CE1 3.92Å; V11-F194 HydrophobicContact CG1-CZ 4.04Å; Y14-F194 AromaticContact CD1-CE1 3.78Å; Y14-F194 HydrophobicContact CD1-CE1 3.78Å; Y14-F194 HydrophobicContact CD1-CE2 4.25Å; Y14-F194 AromaticContact CD1-CZ 3.59Å; Y14-F194 HydrophobicContact CD1-CZ 3.59Å; Y14-F194 HydrophobicContact CE1-CD1 4.09Å; Y14-F194 HydrophobicContact CE1-CD2 4.39Å; Y14-F194 AromaticContact CE1-CE1 3.73Å; Y14-F194 HydrophobicContact CE1-CE1 3.73Å; Y14-F194 HydrophobicContact CE1-CE2 4.06Å; Y14-F194 HydrophobicContact CE1-CG 4.41Å; Y14-F194 AromaticContact CE1-CZ 3.72Å; Y14-F194 HydrophobicContact CE1-CZ 3.72Å; Y14-F194 VanDerWaalsContact CE1-O 3.22Å; Y14-F194 WeakPolarHBondContact CE1-O 3.34Å; Y14-F194 PolarHBondContact OH-O 3.01Å; V22-F194 VanDerWaalsContact CG2-CA 3.41Å; V22-F194 HydrophobicContact CG2-CB 3.7Å; V22-F194 HydrophobicContact CG2-CD2 4.01Å; V22-F194 HydrophobicContact CG2-CG 4.36Å; I176-F194 HydrophobicContact CD1-CD1 3.78Å; I176-F194 HydrophobicContact CD1-CE1 4.07Å; L190-F194 PolarHBondContact O-N 3.29Å; W191-F194 HydrophobicContact CE3-CD1 4.02Å; W191-F194 AromaticContact CZ3-CD1 3.85Å; W191-F194 HydrophobicContact CZ3-CD1 3.85Å; W191-F194 HydrophobicContact CZ3-CE1 4.14Å; W191-F194 PolarHBondContact O-N 3.19Å; Q192-F194 VanDerWaalsContact C-N 3.26Å; Q192-F194 PolarHBondContact O-N 3.17Å
195T88.3Confident89.1Confident0 Ų038.5 Ų38.50%017%0.169CC..SBendtrans-83.3120.9-179.9-59.10000109.8R25 R172 W191 Q192 F193 F197R25-T195 PolarHBondContact NH1-O 3.21Å; R172-T195 HydrophobicContact CB-CG2 4.4Å; R172-T195 HydrophobicContact CG-CG2 3.98Å; W191-T195 WeakPolarHBondContact O-CB 3.29Å; W191-T195 PolarHBondContact O-N 3.46Å; W191-T195 PolarHBondContact O-OG1 3.05Å; Q192-T195 PolarHBondContact O-N 3.34Å; Q192-T195 VanDerWaalsContact O-N 3.15Å; F193-T195 VanDerWaalsContact C-N 3.34Å; T195-F197 PolarHBondContact O-N 3.02Å
196P85.1Confident89.5Confident16 Ų1636.4 Ų36.410%0.10417%0.171CC..SBendtrans-64.5-44.8-173.121.9-29.7000112.4Y14 R25 F174Y14-P196 HydrophobicContact CE2-CG 4.45Å; R25-P196 PolarHBondContact NH2-O 3.17Å; F174-P196 HydrophobicContact CD2-CG 3.3Å; F174-P196 HydrophobicContact CE2-CG 3.24Å; F174-P196 HydrophobicContact CG-CG 4.12Å; F174-P196 HydrophobicContact CZ-CG 4.02Å
197F88.9Confident89.8Confident110 Ų11033.3 Ų33.348%0.48216%0.161SC..  trans-141.5137.3177.4-57.8-76.1000111.9G58 V60 I173 T195G58-F197 CarbonylContact O-C 3.57Å; G58-F197 VanDerWaalsContact O-CA 3.29Å; G58-F197 WeakPolarHBondContact O-CA 3.28Å; V60-F197 HydrophobicContact CG2-CB 4.5Å; V60-F197 HydrophobicContact CG2-CD1 3.95Å; I173-F197 HydrophobicContact CD1-CB 4.37Å; T195-F197 PolarHBondContact O-N 3.02Å
198T91.2Very high90.1Very high0 Ų030 Ų300%015%0.145CC..EExtended strand (participates in β ladder)trans-121.8119.9168.6-56.20000107.9G58 F59 V60 V170 R172 L178 Q192 Y200G58-T198 PolarHBondContact O-N 3.43Å; F59-T198 WeakPolarHBondContact CA-O 3.48Å; V60-T198 PolarHBondContact N-O 3.44Å; V170-T198 HydrophobicContact CG1-CG2 3.51Å; R172-T198 HydrophobicContact CG-CG2 3.87Å; R172-T198 WeakPolarHBondContact CG-OG1 3.3Å; R172-T198 PolarHBondContact NE-OG1 2.94Å; L178-T198 HydrophobicContact CD2-CG2 4.32Å; Q192-T198 PolarHBondContact NE2-OG1 3.24Å; T198-Y200 HydrophobicContact CG2-CD2 4.17Å; T198-Y200 HydrophobicContact CG2-CE2 3.56Å
199Y91.9Very high90.2Very high68 Ų6832.9 Ų32.927%0.26717%0.166SC..EExtended strand (participates in β ladder)trans-91126.1-178.4-173.5-95.8000109.5V60 Y62 V170 H171 H201V60-Y199 HydrophobicContact CB-CD2 4.1Å; V60-Y199 HydrophobicContact CG1-CD2 3.82Å; V60-Y199 HydrophobicContact CG1-CE2 4.13Å; V60-Y199 CarbonylContact O-C 3.59Å; V60-Y199 WeakPolarHBondContact O-CA 3.37Å; Y62-Y199 WeakPolarHBondContact CB-OH 3.5Å; V170-Y199 WeakPolarHBondContact CA-O 3.38Å; H171-Y199 AromaticContact CD2-CD1 3.6Å; H171-Y199 AromaticContact CE1-CD1 3.85Å; H171-Y199 AromaticContact CE1-CG 3.86Å; H171-Y199 PolarHBondContact N-O 2.9Å; H171-Y199 AromaticContact NE2-CD1 3.04Å; H171-Y199 WeakPolarHBondContact NE2-CD1 3.36Å; H171-Y199 AromaticContact NE2-CE1 3.8Å; H171-Y199 AromaticContact NE2-CG 3.51Å; H171-Y199 PolarHBondContact O-N 3.25Å; Y199-H201 HydrophobicContact CD1-CB 4.37Å; Y199-H201 HydrophobicContact CE1-CB 3.87Å
200Y92.4Very high90.3Very high1 Ų135.5 Ų35.50%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-110.3121.1174.6-73.7-99.4000108.5F59 V60 V61 Y62 T83 V89 V170 T198F59-Y200 HydrophobicContact CB-CD2 4.25Å; F59-Y200 HydrophobicContact CB-CE2 4.19Å; F59-Y200 HydrophobicContact CD1-CD2 4.27Å; F59-Y200 AromaticContact CD1-CE2 3.43Å; F59-Y200 HydrophobicContact CD1-CE2 3.43Å; F59-Y200 VanDerWaalsContact CD1-CE2 3.43Å; F59-Y200 HydrophobicContact CD2-CE2 4.31Å; F59-Y200 AromaticContact CE1-CE2 3.68Å; F59-Y200 HydrophobicContact CE1-CE2 3.68Å; F59-Y200 WeakPolarHBondContact CE1-OH 3.34Å; F59-Y200 HydrophobicContact CG-CD2 4.29Å; F59-Y200 AromaticContact CG-CE2 3.74Å; F59-Y200 HydrophobicContact CG-CE2 3.74Å; F59-Y200 HydrophobicContact CZ-CE2 4.29Å; V60-Y200 PolarHBondContact O-N 3.27Å; V61-Y200 WeakPolarHBondContact CA-O 3.25Å; Y62-Y200 PolarHBondContact N-O 2.91Å; T83-Y200 PolarHBondContact OG1-OH 3.45Å; T83-Y200 VanDerWaalsContact OG1-OH 3.13Å; V89-Y200 HydrophobicContact CB-CD1 4.39Å; V89-Y200 HydrophobicContact CG1-CD1 4.28Å; V89-Y200 HydrophobicContact CG1-CG 4.33Å; V89-Y200 HydrophobicContact CG2-CD1 3.85Å; V89-Y200 HydrophobicContact CG2-CD2 4.2Å; V89-Y200 HydrophobicContact CG2-CE1 3.86Å; V89-Y200 HydrophobicContact CG2-CE2 4.22Å; V89-Y200 HydrophobicContact CG2-CG 4.02Å; V170-Y200 HydrophobicContact CB-CD1 4.4Å; V170-Y200 HydrophobicContact CB-CE1 4.37Å; V170-Y200 HydrophobicContact CG1-CD1 4.06Å; V170-Y200 HydrophobicContact CG1-CD2 4.38Å; V170-Y200 HydrophobicContact CG1-CE1 3.81Å; V170-Y200 HydrophobicContact CG1-CE2 4.15Å; V170-Y200 HydrophobicContact CG1-CG 4.34Å; V170-Y200 HydrophobicContact CG2-CD1 3.51Å; V170-Y200 HydrophobicContact CG2-CE1 3.56Å; V170-Y200 HydrophobicContact CG2-CG 4.35Å; T198-Y200 HydrophobicContact CG2-CD2 4.17Å; T198-Y200 HydrophobicContact CG2-CE2 3.56Å
201H92Very high90.3Very high49 Ų4938 Ų3823%0.22719%0.186CC..EExtended strand (participates in β ladder)trans-107.4107.2171.4-174.1-89.2000108.3Y62 K169 Y199Y62-H201 AromaticContact CD1-CD2 3.27Å; Y62-H201 WeakPolarHBondContact CD1-CD2 3.35Å; Y62-H201 AromaticContact CD1-NE2 3.49Å; Y62-H201 WeakPolarHBondContact CD1-NE2 3.37Å; Y62-H201 AromaticContact CE1-CD2 3.82Å; Y62-H201 AromaticContact CE1-NE2 3.55Å; K169-H201 HydrophobicContact CB-CB 4.17Å; K169-H201 PolarHBondContact N-O 3.18Å; K169-H201 PolarHBondContact O-N 3.27Å; Y199-H201 HydrophobicContact CD1-CB 4.37Å; Y199-H201 HydrophobicContact CE1-CB 3.87Å
202V92.5Very high90Very high0 Ų041.1 Ų41.10%022%0.218CC..EExtended strand (participates in β ladder)trans-99.8112.6-178.7-1760000107.9V61 Y62 I63 D64 V89 L90 V166 L168 Y204V61-V202 HydrophobicContact CG1-CG2 4.02Å; Y62-V202 PolarHBondContact O-N 3.46Å; I63-V202 WeakPolarHBondContact CA-O 3.47Å; I63-V202 HydrophobicContact CG1-CB 4.41Å; D64-V202 PolarHBondContact N-O 3.43Å; V89-V202 HydrophobicContact CG1-CG2 4.02Å; L90-V202 HydrophobicContact CD2-CG1 3.92Å; V166-V202 HydrophobicContact CG1-CG1 3.64Å; L168-V202 HydrophobicContact CD2-CB 4.18Å; L168-V202 HydrophobicContact CD2-CG1 3.94Å; L168-V202 HydrophobicContact CD2-CG2 3.77Å; V202-Y204 HydrophobicContact CG1-CE2 4.25Å
203K92.5Very high89.8Confident66 Ų6647.5 Ų47.529%0.28725%0.253SS..EExtended strand (participates in β ladder)trans-114.2119.5178.5-176.9173.2-177.7-176.40111D64 V166 A167 L205D64-K203 HydrophobicContact CB-CB 4.35Å; D64-K203 HydrophobicContact CB-CG 4.27Å; V166-K203 WeakPolarHBondContact CA-O 3.23Å; A167-K203 HydrophobicContact CB-CB 4.37Å; A167-K203 PolarHBondContact N-O 3.22Å; A167-K203 PolarHBondContact O-N 3.31Å; K203-L205 HydrophobicContact CG-CD2 4.35Å
204Y91.9Very high89.7Confident1 Ų148.7 Ų48.70%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-79.3137.1172.7-66-80000110.1I63 D64 R68 F77 E94 Q164 V166 V202I63-Y204 HydrophobicContact CG2-CD2 4.17Å; I63-Y204 HydrophobicContact CG2-CE2 3.54Å; D64-Y204 WeakPolarHBondContact O-CD2 3.27Å; D64-Y204 PolarHBondContact O-N 2.93Å; R68-Y204 HydrophobicContact CB-CD2 4.18Å; R68-Y204 HydrophobicContact CB-CG 4.14Å; R68-Y204 HydrophobicContact CG-CD2 4.38Å; R68-Y204 HydrophobicContact CG-CG 4.34Å; F77-Y204 HydrophobicContact CD1-CD1 4.38Å; F77-Y204 AromaticContact CD1-CE1 3.95Å; F77-Y204 HydrophobicContact CD1-CE1 3.95Å; F77-Y204 HydrophobicContact CE1-CD1 4.07Å; F77-Y204 AromaticContact CE1-CE1 3.6Å; F77-Y204 HydrophobicContact CE1-CE1 3.6Å; F77-Y204 HydrophobicContact CZ-CE1 4.42Å; E94-Y204 VanDerWaalsContact CD-OH 3.28Å; E94-Y204 WeakPolarHBondContact CG-OH 3.29Å; E94-Y204 PolarHBondContact OE1-OH 3Å; Q164-Y204 HydrophobicContact CG-CD1 4.31Å; V166-Y204 HydrophobicContact CG1-CD1 4.42Å; V166-Y204 HydrophobicContact CG1-CE1 4.33Å; V166-Y204 HydrophobicContact CG2-CD1 3.69Å; V166-Y204 HydrophobicContact CG2-CE1 3.73Å; V202-Y204 HydrophobicContact CG1-CE2 4.25Å
205L91.7Very high89.7Confident16 Ų1650.6 Ų50.68%0.08427%0.272CS..  trans-101.3177.8176.1-57.3-175.8000110.7Q164 P165 A167 K203 I227 S230Q164-L205 PolarHBondContact NE2-O 2.78Å; P165-L205 HydrophobicContact CB-CB 4.11Å; P165-L205 HydrophobicContact CB-CD1 4.07Å; P165-L205 HydrophobicContact CB-CG 4.45Å; P165-L205 HydrophobicContact CG-CB 4.46Å; P165-L205 PolarHBondContact O-N 2.94Å; A167-L205 HydrophobicContact CB-CD1 4.48Å; K203-L205 HydrophobicContact CG-CD2 4.35Å; L205-I227 HydrophobicContact CD1-CG1 4.19Å; L205-S230 WeakPolarHBondContact CD2-OG 3.5Å
206T90.4Very high89.7Confident87 Ų8752.8 Ų52.853%0.53428%0.283SS..  trans-69139.7172.5-50.10000109.7P165 I208P165-T206 WeakPolarHBondContact CD-O 3.47Å; T206-I208 PolarHBondContact O-N 3.35Å
207P91Very high90Very high36 Ų3656 Ų5623%0.23430%0.297CS..  trans-54.4139173.6-2836000112.3T69 M75 V163T69-P207 WeakPolarHBondContact OG1-CG 3.19Å; M75-P207 HydrophobicContact CE-CB 3.75Å; M75-P207 HydrophobicContact CE-CG 3.65Å; M75-P207 HydrophobicContact SD-CB 4.02Å; V163-P207 WeakPolarHBondContact O-CA 3.38Å
208I91.8Very high90.1Very high21 Ų2155 Ų5511%0.10830%0.297CS..EExtended strand (participates in β ladder)trans-113115.1178.9-56.5-177.1000107.8K162 V163 P165 T206 F219 V223 A226K162-I208 WeakPolarHBondContact CA-O 3.07Å; V163-I208 HydrophobicContact CG2-CB 4.25Å; V163-I208 PolarHBondContact N-O 3.12Å; V163-I208 PolarHBondContact O-N 3.42Å; P165-I208 HydrophobicContact CG-CB 4.43Å; P165-I208 HydrophobicContact CG-CD1 3.55Å; P165-I208 HydrophobicContact CG-CG1 3.7Å; T206-I208 PolarHBondContact O-N 3.35Å; I208-F219 HydrophobicContact CG2-CE2 3.93Å; I208-V223 HydrophobicContact CB-CG2 4.41Å; I208-V223 HydrophobicContact CD1-CG2 4.21Å; I208-V223 HydrophobicContact CG2-CG2 4.31Å; I208-A226 HydrophobicContact CD1-CB 3.69Å
209S90Very high90.2Very high63 Ų6355 Ų5544%0.44130%0.297SS..EExtended strand (participates in β ladder)trans-88.3146.1170-55.30000110.3D161 R222D161-S209 CarbonylContact O-C 3.56Å; D161-S209 WeakPolarHBondContact O-CA 3.27Å; S209-R222 PolarHBondContact O-NH1 3.02Å; S209-R222 PolarHBondContact O-NH2 3.34Å
210R88.5Confident90.2Very high67 Ų6752 Ų5225%0.25329%0.286SS..PPolyproline II helixtrans-66.9136.1173.2-172.4173.8-169.4157.311110.4D161 E214 T215 D216 F219D161-R210 WeakPolarHBondContact O-CB 3.37Å; D161-R210 PolarHBondContact O-N 3.35Å; R210-E214 PolarHBondContact NE-O 3.49Å; R210-E214 PolarHBondContact NH2-O 2.96Å; R210-T215 VanDerWaalsContact NH2-C 3.34Å; R210-D216 IonicContact CZ-OD1 2.81Å; R210-D216 IonicContact NH1-OD1 3.3Å; R210-D216 PolarHBondContact NH1-OD1 2.97Å; R210-D216 VanDerWaalsContact NH2-N 3.18Å; R210-D216 IonicContact NH2-OD1 2.59Å; R210-D216 PolarHBondContact NH2-OD1 3.07Å; R210-F219 HydrophobicContact CB-CD2 4.23Å; R210-F219 HydrophobicContact CB-CE2 4.12Å; R210-F219 HydrophobicContact CB-CZ 4.32Å; R210-F219 HydrophobicContact CG-CD2 4.4Å; R210-F219 HydrophobicContact CG-CG 4.36Å
211M90Very high90.1Very high103 Ų10355 Ų5551%0.50730%0.3SS..PPolyproline II helixtrans-84.9147.7175.2-59.1175.667.300110N213 E214M211-N213 PolarHBondContact O-N 3.03Å; M211-E214 HydrophobicContact CB-CB 4Å; M211-E214 PolarHBondContact N-OE2 3.34Å; M211-E214 VanDerWaalsContact N-OE2 3.16Å; M211-E214 PolarHBondContact O-N 3.23Å
212S80.5Confident90.2Very high135 Ų13556.5 Ų56.594%0.94430%0.303SS*.THydrogen-bonded Turntrans-62.4-18.1-171.651.20000115.1
213N84.9Confident90.2Very high135 Ų13556.5 Ų56.572%0.72230%0.303SS*.THydrogen-bonded Turntrans-116.112.7-177.865.1-22.7000113.8M211M211-N213 PolarHBondContact O-N 3.03Å
214E88.2Confident90.3Very high25 Ų2554.3 Ų54.312%0.11729%0.293CS..  trans-99.3132.5-171.1-172-178.1-148.600112.1R210 M211 D218 F219 R222R210-E214 PolarHBondContact NE-O 3.49Å; R210-E214 PolarHBondContact NH2-O 2.96Å; M211-E214 HydrophobicContact CB-CB 4Å; M211-E214 PolarHBondContact N-OE2 3.34Å; M211-E214 VanDerWaalsContact N-OE2 3.16Å; M211-E214 PolarHBondContact O-N 3.23Å; E214-D218 HydrophobicContact CG-CB 3.5Å; E214-D218 VanDerWaalsContact CG-CB 3.5Å; E214-F219 VanDerWaalsContact CD-CA 3.47Å; E214-F219 HydrophobicContact CG-CB 4.13Å; E214-F219 VanDerWaalsContact OE1-CA 3.3Å; E214-F219 WeakPolarHBondContact OE1-CA 3.15Å; E214-F219 PolarHBondContact OE1-N 3.39Å; E214-R222 IonicContact OE1-CZ 2.75Å; E214-R222 IonicContact OE1-NE 2.66Å; E214-R222 PolarHBondContact OE1-NE 3.05Å; E214-R222 IonicContact OE1-NH2 3.42Å; E214-R222 PolarHBondContact OE1-NH2 3.1Å; E214-R222 IonicContact OE2-CZ 3.55Å; E214-R222 IonicContact OE2-NE 3.69Å; E214-R222 IonicContact OE2-NH2 2.61Å; E214-R222 PolarHBondContact OE2-NH2 3.01Å
215T90.1Very high90.3Very high63 Ų6356.1 Ų56.139%0.38731%0.306SS..  trans-68.1162.9175.666.10000111.5R210 E217 D218 F219R210-T215 VanDerWaalsContact NH2-C 3.34Å; T215-E217 PolarHBondContact O-N 2.94Å; T215-D218 PolarHBondContact O-N 3.26Å; T215-D218 WeakPolarHBondContact OG1-CB 3.41Å; T215-D218 PolarHBondContact OG1-N 3.13Å; T215-D218 VanDerWaalsContact OG1-N 3.1Å; T215-D218 PolarHBondContact OG1-OD2 3.48Å; T215-F219 WeakPolarHBondContact O-CB 3.5Å; T215-F219 PolarHBondContact O-N 3.31Å; T215-F219 VanDerWaalsContact O-N 3.09Å
216D89Confident90.4Very high46 Ų4656.9 Ų56.925%0.24632%0.315CS..Hα-helixtrans-61-37.1176.9-70.8-22.7000110.4Y154 G158 R210 C220Y154-D216 HydrophobicContact CD2-CB 4.11Å; G158-D216 WeakPolarHBondContact CA-OD2 3.48Å; R210-D216 IonicContact CZ-OD1 2.81Å; R210-D216 IonicContact NH1-OD1 3.3Å; R210-D216 PolarHBondContact NH1-OD1 2.97Å; R210-D216 VanDerWaalsContact NH2-N 3.18Å; R210-D216 IonicContact NH2-OD1 2.59Å; R210-D216 PolarHBondContact NH2-OD1 3.07Å; D216-C220 WeakPolarHBondContact O-CB 3.48Å; D216-C220 PolarHBondContact O-N 3.41Å
217E90Very high90.5Very high84 Ų8452.7 Ų52.739%0.39329%0.289SS..Hα-helixtrans-65.5-47.1177.8-65.281.117700112.2Y154 T215 C220 E221Y154-E217 HydrophobicContact CD1-CG 3.97Å; Y154-E217 HydrophobicContact CD2-CG 3.84Å; Y154-E217 VanDerWaalsContact CD2-OE1 3.3Å; Y154-E217 WeakPolarHBondContact CD2-OE1 3.48Å; Y154-E217 HydrophobicContact CE1-CG 4.34Å; Y154-E217 HydrophobicContact CE2-CG 4.21Å; Y154-E217 WeakPolarHBondContact CE2-OE1 3.29Å; Y154-E217 HydrophobicContact CG-CG 3.7Å; Y154-E217 VanDerWaalsContact CZ-OE1 3.32Å; T215-E217 PolarHBondContact O-N 2.94Å; E217-C220 WeakPolarHBondContact O-CB 3.11Å; E217-C220 PolarHBondContact O-N 3.47Å; E217-E221 WeakPolarHBondContact O-CB 3.33Å; E217-E221 PolarHBondContact O-N 3.43Å
218D91.3Very high90.6Very high90 Ų9051.2 Ų51.248%0.48128%0.28SS..Hα-helixtrans-64.4-42.7179.3-66.7-36.5000111.1E214 T215 E221 R222E214-D218 HydrophobicContact CG-CB 3.5Å; E214-D218 VanDerWaalsContact CG-CB 3.5Å; T215-D218 PolarHBondContact O-N 3.26Å; T215-D218 WeakPolarHBondContact OG1-CB 3.41Å; T215-D218 PolarHBondContact OG1-N 3.13Å; T215-D218 VanDerWaalsContact OG1-N 3.1Å; T215-D218 PolarHBondContact OG1-OD2 3.48Å; D218-E221 PolarHBondContact O-N 2.79Å; D218-R222 WeakPolarHBondContact O-CB 3.41Å; D218-R222 PolarHBondContact O-N 2.98Å
219F92.7Very high90.6Very high0 Ų055 Ų550%031%0.308CS..Hα-helixtrans-61.6-46.9176179.1-124.8000111.5F157 V160 V163 I208 R210 E214 T215 E221 R222 V223F157-F219 HydrophobicContact CB-CD1 4.05Å; F157-F219 HydrophobicContact CB-CE1 4.41Å; F157-F219 AromaticContact CD1-CD1 3.93Å; F157-F219 HydrophobicContact CD1-CD1 3.93Å; F157-F219 AromaticContact CD1-CE1 3.76Å; F157-F219 HydrophobicContact CD1-CE1 3.76Å; F157-F219 HydrophobicContact CG-CD1 4.35Å; V160-F219 WeakPolarHBondContact O-CE1 3.38Å; V163-F219 HydrophobicContact CG1-CE1 4.25Å; V163-F219 HydrophobicContact CG1-CZ 4.17Å; V163-F219 HydrophobicContact CG2-CZ 3.84Å; I208-F219 HydrophobicContact CG2-CE2 3.93Å; R210-F219 HydrophobicContact CB-CD2 4.23Å; R210-F219 HydrophobicContact CB-CE2 4.12Å; R210-F219 HydrophobicContact CB-CZ 4.32Å; R210-F219 HydrophobicContact CG-CD2 4.4Å; R210-F219 HydrophobicContact CG-CG 4.36Å; E214-F219 VanDerWaalsContact CD-CA 3.47Å; E214-F219 HydrophobicContact CG-CB 4.13Å; E214-F219 VanDerWaalsContact OE1-CA 3.3Å; E214-F219 WeakPolarHBondContact OE1-CA 3.15Å; E214-F219 PolarHBondContact OE1-N 3.39Å; T215-F219 WeakPolarHBondContact O-CB 3.5Å; T215-F219 PolarHBondContact O-N 3.31Å; T215-F219 VanDerWaalsContact O-N 3.09Å; F219-E221 VanDerWaalsContact C-N 3.34Å; F219-E221 PolarHBondContact O-N 2.79Å; F219-R222 PolarHBondContact O-N 3.27Å; F219-V223 HydrophobicContact CD2-CG2 4.4Å; F219-V223 HydrophobicContact CE2-CG2 4.13Å; F219-V223 HydrophobicContact CZ-CG2 4.3Å; F219-V223 VanDerWaalsContact O-CG2 3.3Å; F219-V223 WeakPolarHBondContact O-CG2 3.49Å; F219-V223 PolarHBondContact O-N 3.15Å
220C91.9Very high90.6Very high5 Ų553.9 Ų53.93%0.03430%0.3CS..Hα-helixtrans-58.6-44.7175.7175.80000111.7F152 F157 D216 E217 V223 R224F152-C220 WeakPolarHBondContact CB-SG 3.14Å; F157-C220 HydrophobicContact CD2-CB 3.82Å; F157-C220 HydrophobicContact CE2-CB 4.03Å; F157-C220 VanDerWaalsContact CE2-SG 3.52Å; F157-C220 HydrophobicContact CG-CB 4.28Å; D216-C220 WeakPolarHBondContact O-CB 3.48Å; D216-C220 PolarHBondContact O-N 3.41Å; E217-C220 WeakPolarHBondContact O-CB 3.11Å; E217-C220 PolarHBondContact O-N 3.47Å; C220-V223 PolarHBondContact O-N 3.36Å; C220-R224 WeakPolarHBondContact O-CB 3.35Å; C220-R224 PolarHBondContact O-N 3.5Å
221E91.4Very high90.7Very high63 Ų6351.7 Ų51.729%0.29429%0.293SS..Hα-helixtrans-67.7-36.8179.8-175.151.8-12700112.3E217 D218 F219 R224 S225E217-E221 WeakPolarHBondContact O-CB 3.33Å; E217-E221 PolarHBondContact O-N 3.43Å; D218-E221 PolarHBondContact O-N 2.79Å; F219-E221 VanDerWaalsContact C-N 3.34Å; F219-E221 PolarHBondContact O-N 2.79Å; E221-R224 VanDerWaalsContact CD-NE 3.29Å; E221-R224 PolarHBondContact O-N 2.97Å; E221-R224 IonicContact OE1-CZ 3.17Å; E221-R224 IonicContact OE1-NE 3.81Å; E221-R224 PolarHBondContact OE1-NE 3.26Å; E221-R224 VanDerWaalsContact OE1-NE 3.07Å; E221-R224 IonicContact OE1-NH2 3.06Å; E221-R224 PolarHBondContact OE1-NH2 2.67Å; E221-R224 IonicContact OE2-CZ 2.59Å; E221-R224 IonicContact OE2-NE 3.83Å; E221-R224 PolarHBondContact OE2-NE 2.88Å; E221-R224 IonicContact OE2-NH2 2.99Å; E221-R224 PolarHBondContact OE2-NH2 2.96Å; E221-S225 VanDerWaalsContact O-CB 3.27Å; E221-S225 WeakPolarHBondContact O-CB 3.31Å; E221-S225 PolarHBondContact O-N 3.21Å; E221-S225 PolarHBondContact O-OG 2.6Å; E221-S225 PolarHBondContact OE1-OG 3.31Å
222R93.4Very high90.6Very high80 Ų8049.9 Ų49.930%0.30230%0.301SS..Hα-helixtrans-64.8-43.1174.4-175.4161.45998.21.9111.9S209 E214 D218 F219 S225 A226S209-R222 PolarHBondContact O-NH1 3.02Å; S209-R222 PolarHBondContact O-NH2 3.34Å; E214-R222 IonicContact OE1-CZ 2.75Å; E214-R222 IonicContact OE1-NE 2.66Å; E214-R222 PolarHBondContact OE1-NE 3.05Å; E214-R222 IonicContact OE1-NH2 3.42Å; E214-R222 PolarHBondContact OE1-NH2 3.1Å; E214-R222 IonicContact OE2-CZ 3.55Å; E214-R222 IonicContact OE2-NE 3.69Å; E214-R222 IonicContact OE2-NH2 2.61Å; E214-R222 PolarHBondContact OE2-NH2 3.01Å; D218-R222 WeakPolarHBondContact O-CB 3.41Å; D218-R222 PolarHBondContact O-N 2.98Å; F219-R222 PolarHBondContact O-N 3.27Å; R222-S225 PolarHBondContact O-N 3.48Å; R222-A226 WeakPolarHBondContact O-CB 2.89Å; R222-A226 PolarHBondContact O-N 3.19Å
223V93.5Very high90.7Very high0 Ų044.1 Ų44.10%026%0.262CS..Hα-helixtrans-63-45174.2174.50000110.7V78 F157 V163 P165 I208 F219 C220 A226 I227V78-V223 HydrophobicContact CB-CG1 4.31Å; V78-V223 HydrophobicContact CG1-CG1 3.9Å; F157-V223 HydrophobicContact CE1-CB 4.32Å; F157-V223 HydrophobicContact CE1-CG1 4.18Å; F157-V223 HydrophobicContact CE1-CG2 4.26Å; F157-V223 HydrophobicContact CZ-CG1 4.35Å; V163-V223 HydrophobicContact CG2-CG1 4.31Å; V163-V223 HydrophobicContact CG2-CG2 3.62Å; P165-V223 HydrophobicContact CB-CG1 4.39Å; P165-V223 HydrophobicContact CG-CG1 4.35Å; I208-V223 HydrophobicContact CB-CG2 4.41Å; I208-V223 HydrophobicContact CD1-CG2 4.21Å; I208-V223 HydrophobicContact CG2-CG2 4.31Å; F219-V223 HydrophobicContact CD2-CG2 4.4Å; F219-V223 HydrophobicContact CE2-CG2 4.13Å; F219-V223 HydrophobicContact CZ-CG2 4.3Å; F219-V223 VanDerWaalsContact O-CG2 3.3Å; F219-V223 WeakPolarHBondContact O-CG2 3.49Å; F219-V223 PolarHBondContact O-N 3.15Å; C220-V223 PolarHBondContact O-N 3.36Å; V223-A226 PolarHBondContact O-N 3.13Å; V223-I227 HydrophobicContact CG1-CD1 4.26Å; V223-I227 WeakPolarHBondContact O-CG1 2.97Å; V223-I227 PolarHBondContact O-N 3.18Å; V223-I227 VanDerWaalsContact O-N 3.14Å
224R93.6Very high90.7Very high20 Ų2042.2 Ų42.28%0.07526%0.255CS..Hα-helixtrans-59.7-46.6176.5-169.317974.398.43112L149 F152 C220 E221 A226 I227 A228 L235L149-R224 HydrophobicContact CD2-CG 3.54Å; L149-R224 WeakPolarHBondContact CD2-O 3.17Å; L149-R224 HydrophobicContact CG-CG 4.28Å; F152-R224 HydrophobicContact CD1-CG 3.91Å; F152-R224 HydrophobicContact CD2-CB 3.63Å; F152-R224 HydrophobicContact CD2-CG 3.93Å; F152-R224 HydrophobicContact CE1-CG 3.93Å; F152-R224 HydrophobicContact CE2-CB 3.76Å; F152-R224 HydrophobicContact CE2-CG 3.97Å; F152-R224 HydrophobicContact CG-CB 4.06Å; F152-R224 HydrophobicContact CG-CG 3.92Å; F152-R224 HydrophobicContact CZ-CB 4.26Å; F152-R224 HydrophobicContact CZ-CG 3.98Å; C220-R224 WeakPolarHBondContact O-CB 3.35Å; C220-R224 PolarHBondContact O-N 3.5Å; E221-R224 VanDerWaalsContact CD-NE 3.29Å; E221-R224 PolarHBondContact O-N 2.97Å; E221-R224 IonicContact OE1-CZ 3.17Å; E221-R224 IonicContact OE1-NE 3.81Å; E221-R224 PolarHBondContact OE1-NE 3.26Å; E221-R224 VanDerWaalsContact OE1-NE 3.07Å; E221-R224 IonicContact OE1-NH2 3.06Å; E221-R224 PolarHBondContact OE1-NH2 2.67Å; E221-R224 IonicContact OE2-CZ 2.59Å; E221-R224 IonicContact OE2-NE 3.83Å; E221-R224 PolarHBondContact OE2-NE 2.88Å; E221-R224 IonicContact OE2-NH2 2.99Å; E221-R224 PolarHBondContact OE2-NH2 2.96Å; R224-A226 PolarHBondContact O-N 3.49Å; R224-I227 PolarHBondContact O-N 3.46Å; R224-A228 WeakPolarHBondContact O-CB 3.46Å; R224-A228 PolarHBondContact O-N 3.11Å; R224-L235 HydrophobicContact CG-CD2 4.19Å; R224-L235 VanDerWaalsContact CZ-CD2 3.49Å
225S92.4Very high90.6Very high40 Ų4044.7 Ų44.728%0.2827%0.269SS..Hα-helixtrans-62-42.2178-71.30000111.8E221 R222 I227 A228 S229E221-S225 VanDerWaalsContact O-CB 3.27Å; E221-S225 WeakPolarHBondContact O-CB 3.31Å; E221-S225 PolarHBondContact O-N 3.21Å; E221-S225 PolarHBondContact O-OG 2.6Å; E221-S225 PolarHBondContact OE1-OG 3.31Å; R222-S225 PolarHBondContact O-N 3.48Å; S225-I227 PolarHBondContact O-N 3.46Å; S225-A228 PolarHBondContact O-N 3.4Å; S225-S229 WeakPolarHBondContact O-CB 3.39Å; S225-S229 PolarHBondContact O-N 3.25Å; S225-S229 PolarHBondContact O-OG 2.87Å; S225-S229 VanDerWaalsContact O-OG 3.04Å
226A93.3Very high90.1Very high31 Ų3142.5 Ų42.526%0.25626%0.256SS..Hα-helixtrans-60.6-43.1176.200000112.5I208 R222 V223 R224 S230I208-A226 HydrophobicContact CD1-CB 3.69Å; R222-A226 WeakPolarHBondContact O-CB 2.89Å; R222-A226 PolarHBondContact O-N 3.19Å; V223-A226 PolarHBondContact O-N 3.13Å; R224-A226 PolarHBondContact O-N 3.49Å; A226-S230 PolarHBondContact O-N 3.46Å; A226-S230 VanDerWaalsContact O-N 3.1Å
227I93.4Very high89.7Confident0 Ų045.7 Ų45.70%028%0.279CS..Hα-helixtrans-64.7-47176.2-66.3170.9000110.5V78 N80 L149 F152 P165 A167 L205 V223 R224 S225 S229 S230 L231V78-I227 HydrophobicContact CG1-CD1 4.38Å; N80-I227 HydrophobicContact CB-CG2 4.21Å; L149-I227 HydrophobicContact CD2-CB 4.43Å; L149-I227 HydrophobicContact CD2-CG2 4.26Å; F152-I227 HydrophobicContact CE2-CD1 4.08Å; F152-I227 HydrophobicContact CZ-CD1 4.06Å; P165-I227 HydrophobicContact CB-CD1 4.15Å; P165-I227 HydrophobicContact CB-CG1 3.85Å; A167-I227 HydrophobicContact CB-CG2 4.4Å; L205-I227 HydrophobicContact CD1-CG1 4.19Å; V223-I227 HydrophobicContact CG1-CD1 4.26Å; V223-I227 WeakPolarHBondContact O-CG1 2.97Å; V223-I227 PolarHBondContact O-N 3.18Å; V223-I227 VanDerWaalsContact O-N 3.14Å; R224-I227 PolarHBondContact O-N 3.46Å; S225-I227 PolarHBondContact O-N 3.46Å; I227-S229 PolarHBondContact O-N 3.36Å; I227-S230 PolarHBondContact O-N 3.48Å; I227-L231 HydrophobicContact CG2-CD1 3.77Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CG 3.25Å; I227-L231 PolarHBondContact O-N 3.01Å
228A92.4Very high89.1Confident4 Ų445.3 Ų45.33%0.03328%0.279CS..Hα-helixtrans-63.3-42.7179.600000112.8L149 R224 S225 S230 L231 G232 A233 L235L149-A228 HydrophobicContact CD2-CB 3.95Å; R224-A228 WeakPolarHBondContact O-CB 3.46Å; R224-A228 PolarHBondContact O-N 3.11Å; S225-A228 PolarHBondContact O-N 3.4Å; A228-S230 VanDerWaalsContact C-N 3.3Å; A228-S230 PolarHBondContact O-N 2.97Å; A228-L231 PolarHBondContact O-N 2.84Å; A228-L231 VanDerWaalsContact O-N 3.17Å; A228-G232 PolarHBondContact O-N 2.78Å; A228-A233 PolarHBondContact O-N 2.81Å; A228-L235 HydrophobicContact CB-CD2 3.32Å; A228-L235 HydrophobicContact CB-CG 4Å
229S91.9Very high88.4Confident101 Ų10143.5 Ų43.571%0.70627%0.27SS*.Hα-helixtrans-60.1-39.8174.7-65.10000111.8S225 I227S225-S229 WeakPolarHBondContact O-CB 3.39Å; S225-S229 PolarHBondContact O-N 3.25Å; S225-S229 PolarHBondContact O-OG 2.87Å; S225-S229 VanDerWaalsContact O-OG 3.04Å; I227-S229 PolarHBondContact O-N 3.36Å
230S90.6Very high87.4Confident39 Ų3944 Ų4427%0.27327%0.274SS..Hα-helixtrans-70.8-30.4176-176.80000113.6L205 A226 I227 A228L205-S230 WeakPolarHBondContact CD2-OG 3.5Å; A226-S230 PolarHBondContact O-N 3.46Å; A226-S230 VanDerWaalsContact O-N 3.1Å; I227-S230 PolarHBondContact O-N 3.48Å; A228-S230 VanDerWaalsContact C-N 3.3Å; A228-S230 PolarHBondContact O-N 2.97Å
231L89.8Confident86.1Confident21 Ų2149 Ų4911%0.1130%0.297CS..Hα-helixtrans-82.9-21.3178.5-70.7172.3000112.5A167 K169 I227 A228 A233A167-L231 HydrophobicContact CB-CD2 3.85Å; A167-L231 HydrophobicContact CB-CG 3.92Å; K169-L231 HydrophobicContact CB-CD2 4.02Å; I227-L231 HydrophobicContact CG2-CD1 3.77Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CG 3.25Å; I227-L231 PolarHBondContact O-N 3.01Å; A228-L231 PolarHBondContact O-N 2.84Å; A228-L231 VanDerWaalsContact O-N 3.17Å; L231-A233 HydrophobicContact CB-CB 3.83Å
232G87.7Confident84.9Confident65 Ų6550.4 Ų50.467%0.6730%0.303SS*.THydrogen-bonded Turntrans68.324.3-163.200000112.2A228A228-G232 PolarHBondContact O-N 2.78Å
233A83.3Confident83.5Confident14 Ų1448 Ų4812%0.11630%0.296CS..  trans-83.9150.2-173.600000112D147 A228 L231D147-A233 CarbonylContact O-C 3.51Å; D147-A233 WeakPolarHBondContact O-CA 3.36Å; A228-A233 PolarHBondContact O-N 2.81Å; L231-A233 HydrophobicContact CB-CB 3.83Å
234T84.8Confident81.6Confident96 Ų9651.3 Ų51.359%0.58932%0.323SS*.EExtended strand (participates in β ladder)trans-78.8131.1170.755.40000110.3D147 L149 S236D147-T234 PolarHBondContact O-N 3.12Å; D147-T234 PolarHBondContact O-OG1 3.01Å; L149-T234 PolarHBondContact N-O 2.99Å; T234-S236 PolarHBondContact O-N 2.93Å
235L85.6Confident79.6Confident77 Ų7756.2 Ų56.240%0.40335%0.351SS..EExtended strand (participates in β ladder)trans-79.3113.5176.7-66.5170.4000108.8L149 R224 A228L149-L235 HydrophobicContact CD2-CD2 4.32Å; R224-L235 HydrophobicContact CG-CD2 4.19Å; R224-L235 VanDerWaalsContact CZ-CD2 3.49Å; A228-L235 HydrophobicContact CB-CD2 3.32Å; A228-L235 HydrophobicContact CB-CG 4Å
236S80.9Confident77.4Confident17 Ų1761.3 Ų61.312%0.11937%0.365CS..  trans-86.3135.7175.3-179.50000110.8L149 T234 I238L149-S236 PolarHBondContact O-N 2.89Å; T234-S236 PolarHBondContact O-N 2.93Å; S236-I238 PolarHBondContact O-N 3.25Å; S236-I238 PolarHBondContact OG-N 2.95Å
237P79.5Confident75.3Confident113 Ų11362.9 Ų62.973%0.73437%0.372SS*.SBendtrans-74.9-6.8174.531.5-34.6000113
238I77.1Confident72.8Confident75 Ų7566.3 Ų66.339%0.38541%0.407SS..  trans-88.4131.6-172-56.3176.3000110K151 S236 H242K151-I238 PolarHBondContact N-O 2.93Å; S236-I238 PolarHBondContact O-N 3.25Å; S236-I238 PolarHBondContact OG-N 2.95Å; I238-H242 HydrophobicContact CG2-CB 3.79Å
239N77.5Confident70.2Confident53 Ų5371 Ų7128%0.28344%0.435SS..  trans-78.4149.5167.7-65.8-6.4000110K151 E241 H242K151-N239 WeakPolarHBondContact CB-OD1 3.25Å; K151-N239 VanDerWaalsContact CD-OD1 3.25Å; K151-N239 WeakPolarHBondContact CD-OD1 3.37Å; K151-N239 VanDerWaalsContact CG-OD1 3.24Å; K151-N239 WeakPolarHBondContact CG-OD1 3.15Å; N239-E241 PolarHBondContact O-N 3.12Å; N239-E241 VanDerWaalsContact O-N 3.09Å; N239-H242 PolarHBondContact O-N 3.41Å
240A70.9Confident67.3Low10 Ų1076 Ų768%0.08345%0.447CS..Hα-helixtrans-52.3-32.4173.700000114.9E139 K140 A141 H242 L243E139-A240 WeakPolarHBondContact O-CB 3.48Å; K140-A240 HydrophobicContact CB-CB 4.18Å; A141-A240 HydrophobicContact CB-CB 3.42Å; A141-A240 VanDerWaalsContact CB-CB 3.42Å; A240-H242 PolarHBondContact O-N 3.14Å; A240-L243 VanDerWaalsContact O-CB 3.31Å; A240-L243 WeakPolarHBondContact O-CB 3.29Å; A240-L243 PolarHBondContact O-N 2.92Å
241E66Low64.5Low111 Ų11178.1 Ų78.152%0.51946%0.462SS..Hα-helixtrans-59.2-36.5179.5-67.3172.9-172.700111.9K140 N239 L243 A244K140-E241 IonicContact NZ-OE1 2.63Å; K140-E241 PolarHBondContact NZ-OE1 3.37Å; N239-E241 PolarHBondContact O-N 3.12Å; N239-E241 VanDerWaalsContact O-N 3.09Å; E241-L243 VanDerWaalsContact C-N 3.28Å; E241-L243 PolarHBondContact O-N 3.5Å; E241-A244 PolarHBondContact O-N 3.36Å
242H64.6Low61.8Low92 Ų9282.2 Ų82.243%0.42649%0.49SS..Hα-helixtrans-68.6-28.2176.6-75.5-77.5000112.4I238 N239 A240 A244 D245 Y246I238-H242 HydrophobicContact CG2-CB 3.79Å; N239-H242 PolarHBondContact O-N 3.41Å; A240-H242 PolarHBondContact O-N 3.14Å; H242-A244 VanDerWaalsContact C-N 3.27Å; H242-A244 PolarHBondContact O-N 2.91Å; H242-D245 PolarHBondContact O-N 2.81Å; H242-D245 VanDerWaalsContact O-N 3.16Å; H242-Y246 HydrophobicContact CB-CD2 4.27Å; H242-Y246 HydrophobicContact CB-CE2 4.26Å; H242-Y246 WeakPolarHBondContact O-CD2 3.5Å; H242-Y246 PolarHBondContact O-N 3.3Å; H242-Y246 VanDerWaalsContact O-N 3.09Å
243L63.9Low59.5Low28 Ų2885.6 Ų85.615%0.14749%0.491CS..Hα-helixtrans-65.1-32.6-177.9-169.961000112.1F150 H181 A240 E241 D245 Y246 T247F150-L243 HydrophobicContact CE2-CD2 4.09Å; F150-L243 HydrophobicContact CZ-CD2 3.85Å; H181-L243 VanDerWaalsContact CD2-CD2 3.5Å; H181-L243 WeakPolarHBondContact CD2-CD2 3.08Å; H181-L243 WeakPolarHBondContact NE2-CD2 3.1Å; A240-L243 VanDerWaalsContact O-CB 3.31Å; A240-L243 WeakPolarHBondContact O-CB 3.29Å; A240-L243 PolarHBondContact O-N 2.92Å; E241-L243 VanDerWaalsContact C-N 3.28Å; E241-L243 PolarHBondContact O-N 3.5Å; L243-D245 VanDerWaalsContact C-N 3.34Å; L243-Y246 PolarHBondContact O-N 3.43Å; L243-T247 WeakPolarHBondContact O-CG2 3.44Å; L243-T247 PolarHBondContact O-N 2.64Å
244A54Low57.1Low70 Ų7089 Ų8958%0.57952%0.519SS*.Hα-helixtrans-63.1-41.4174.900000111.5E241 H242 T247E241-A244 PolarHBondContact O-N 3.36Å; H242-A244 VanDerWaalsContact C-N 3.27Å; H242-A244 PolarHBondContact O-N 2.91Å; A244-T247 PolarHBondContact O-OG1 2.8Å
245D51.2Low54.7Low123 Ų12388.9 Ų88.966%0.65852%0.523SS*.Hα-helixtrans-70.8-36.1179.9-66.1-21.8000112.4H242 L243 T247H242-D245 PolarHBondContact O-N 2.81Å; H242-D245 VanDerWaalsContact O-N 3.16Å; L243-D245 VanDerWaalsContact C-N 3.34Å; D245-T247 PolarHBondContact O-N 2.59Å
246Y47.8Very low52.2Low148 Ų14893.2 Ų93.258%0.5855%0.545SS*.Hα-helixtrans-72.1-28.5-177.7-85.1-75.6000113.9H242 L243 G248 T249H242-Y246 HydrophobicContact CB-CD2 4.27Å; H242-Y246 HydrophobicContact CB-CE2 4.26Å; H242-Y246 WeakPolarHBondContact O-CD2 3.5Å; H242-Y246 PolarHBondContact O-N 3.3Å; H242-Y246 VanDerWaalsContact O-N 3.09Å; L243-Y246 PolarHBondContact O-N 3.43Å; Y246-G248 PolarHBondContact O-N 2.65Å; Y246-T249 PolarHBondContact O-N 3.29Å
247T48.8Very low49.7Very low64 Ų6497 Ų9739%0.39357%0.572SS.*THydrogen-bonded Turntrans-75.2-6-177.160.40000115.4H181 L243 A244 D245 T249H181-T247 HydrophobicContact CB-CG2 3.98Å; L243-T247 WeakPolarHBondContact O-CG2 3.44Å; L243-T247 PolarHBondContact O-N 2.64Å; A244-T247 PolarHBondContact O-OG1 2.8Å; D245-T247 PolarHBondContact O-N 2.59Å; T247-T249 VanDerWaalsContact C-N 3.3Å
248G41.1Very low47.4Very low72 Ų7298.5 Ų98.574%0.74257%0.573SS**THydrogen-bonded Turntrans-78.4-8.9170.400000114.8Y246Y246-G248 PolarHBondContact O-N 2.65Å
249T36.9Very low45.1Very low101 Ų101101.5 Ų101.562%0.6260%0.597SS**SBendtrans-127.5103.9-177.3-12.20000108.5Y246 T247 S251Y246-T249 PolarHBondContact O-N 3.29Å; T247-T249 VanDerWaalsContact C-N 3.3Å; T249-S251 PolarHBondContact O-N 3.32Å
250E31.1Very low42.8Very low207 Ų207105.6 Ų105.697%0.96762%0.619SS**  trans-54106178-63.6-175.8129.400110.8
251S31.7Very low40.8Very low84 Ų84108.7 Ų108.759%0.58765%0.645SS**  trans-147.8136.6162.257.90000110.2T249 I253T249-S251 PolarHBondContact O-N 3.32Å; S251-I253 PolarHBondContact O-N 3Å
252P34.2Very low39.3Very low107 Ų107114.7 Ų114.770%0.69566%0.663SS**  trans-80110.7-168.130.4-31.8000111A254P252-A254 HydrophobicContact CB-CB 4.48Å; P252-A254 PolarHBondContact O-N 3.2Å
253I38.6Very low37.6Very low135 Ų135115.5 Ų115.569%0.69268%0.679SS**G310 helixtrans-65.99.9169.7-60.3173.5000112.2S251 S255S251-I253 PolarHBondContact O-N 3Å; I253-S255 PolarHBondContact O-N 3.42Å
254A33.4Very low36Very low85 Ų85119.6 Ų119.670%0.70271%0.709SS**G310 helixtrans-73.91.3174.600000114.4P252P252-A254 HydrophobicContact CB-CB 4.48Å; P252-A254 PolarHBondContact O-N 3.2Å
255S34Very low35Very low95 Ų95122.2 Ų122.266%0.66472%0.718SS**G310 helixtrans-99.26.8-176.361.20000115.9I253 S257I253-S255 PolarHBondContact O-N 3.42Å; S255-S257 VanDerWaalsContact C-N 3.29Å; S255-S257 PolarHBondContact O-N 3.41Å
256L31.9Very low34.3Very low167 Ų167124.4 Ų124.487%0.87473%0.726SS**  trans-98.945.7168.8-68.6171.2000111.3
257S29.8Very low33.6Very low97 Ų97122.2 Ų122.268%0.67873%0.732SS**  trans-88114.9161.351.40000109S255S255-S257 VanDerWaalsContact C-N 3.29Å; S255-S257 PolarHBondContact O-N 3.41Å
258L30.3Very low33.1Very low144 Ų144123.8 Ų123.875%0.75475%0.746SS**  trans-0.9128.4159.2-122.674.7000116.9N260L258-N260 PolarHBondContact O-N 2.93Å; L258-N260 VanDerWaalsContact O-N 3.14Å
259P29.1Very low33.1Very low139 Ų139127.5 Ų127.590%0.90375%0.748SS**  trans-77.295.415330.4-25.1000108
260N29.5Very low33Very low139 Ų139128 Ų12874%0.74376%0.755SS**  trans-92.9130163.1-162.112000109.6L258L258-N260 PolarHBondContact O-N 2.93Å; L258-N260 VanDerWaalsContact O-N 3.14Å
261A29.7Very low33.4Very low75 Ų75122.8 Ų122.862%0.6275%0.748SS**  trans60.2115.3158.200000119.6
262R32.8Very low33.6Very low236 Ų236125.1 Ų125.189%0.89176%0.758SS**  174.1133.2104.9-94.7168175.9172.7-0.7113.8
263S29.3Very low34.1Very low109 Ų109125.4 Ų125.476%0.76276%0.76SS**  trans65118.7142.1-63.10000121
264C31.1Very low34.3Very low115 Ų115124.1 Ų124.178%0.77776%0.761SS**  166.994.1119.4-84.70000108.2
265T31.9Very low34.7Very low125 Ų125124.8 Ų124.877%0.76776%0.761SS**  80.8111.497.643.70000116
266M36.2Very low34.9Very low168 Ų168125.4 Ų125.483%0.82877%0.765SS**  trans84.3124.7137.2-64.8-120.287.500120.3
267S34.8Very low35.4Very low102 Ų102122.2 Ų122.271%0.71375%0.754SS**  trans82.9126.6146.8-48.30000115.7
268S38.7Very low35.7Very low97 Ų97124.5 Ų124.568%0.67876%0.758SS**  cis-175.7153.211.944.20000109.8
269L39.4Very low35.9Very low151 Ų151121.9 Ų121.979%0.79175%0.752SS**  trans71.9101.3149-64.3151.7000117.4
270S36Very low36.1Very low110 Ų110124.3 Ų124.377%0.76974%0.743SS**  96.5130.793.767.10000110.1
271A39.4Very low36.4Very low98 Ų98125.2 Ų125.281%0.8174%0.74SS**  cis-148.8167.130.600000111.9
272T35.6Very low36.6Very low133 Ų133129 Ų12982%0.81674%0.744SS**  trans-78.2161.2-158.933.50000117.3
273P45.1Very low36.7Very low113 Ų113121.8 Ų121.873%0.73473%0.73SS**  trans-88.6-145.6173.143.4-37.6000109.1
274P42.9Very low36.9Very low108 Ų108122.3 Ų122.370%0.70173%0.729SS**  cis-133.7-179.4-7.931.6-6.4000112.9
275S40.7Very low37.1Very low100 Ų100122.5 Ų122.570%0.69973%0.732SS**  164.8117.893.240.80000111.3
276S39.3Very low37.1Very low107 Ų107121.1 Ų121.175%0.74873%0.727SS**  29.7170.2120.568.10000121.7
277P41.2Very low37Very low100 Ų100118.2 Ų118.265%0.64972%0.723SS**  -141.8-172.5-63.940.3-21.7000112.6
278L36.2Very low37.2Very low146 Ų146117.2 Ų117.276%0.76472%0.717SS**  trans80.2135.7143.6-95.6134.9000121.9
279S34.6Very low37.2Very low89 Ų89119.4 Ų119.462%0.62272%0.721SS**  trans83142151-90.60000118.3
280R34.1Very low37Very low189 Ų189116.6 Ų116.671%0.71371%0.714SS**  cis169133.5-8.4164.4-178.4-74.6168.9-0.5104.5
281K34.7Very low37Very low158 Ų158118.2 Ų118.269%0.68771%0.713SS**  trans78.2141.4146.9-86.4172.4171.7-159.80122.6
282H35.3Very low36.6Very low154 Ų154120.3 Ų120.371%0.71371%0.709SS**  trans73.3137.2142.1-69.3-49.4000115.6
283S35.1Very low36.4Very low85 Ų85118.5 Ų118.559%0.59470%0.702SS**  cis-179.8148.9-6.435.10000106.1
284T33.2Very low35.8Very low121 Ų121120.6 Ų120.674%0.74271%0.707SS**  trans63.1138.5141.353.10000121.9
285S35.2Very low35.1Very low118 Ų118123 Ų12383%0.82571%0.712SS**  trans78.4142.9151.9780000115.3
286S32Very low34.5Very low96 Ų96125.9 Ų125.967%0.67172%0.719SS**  cis173.2144.3-5168.50000103.6
287S34.7Very low34.1Very low107 Ų107129.8 Ų129.875%0.74873%0.726SS**  trans68.2149.3159.7-540000116.1
288S38.9Very low33.5Very low82 Ų82130.7 Ų130.757%0.57373%0.734SS**  cis-173.7162.2-17.145.70000103.6
289D37.7Very low33.4Very low142 Ų142131.1 Ų131.176%0.75974%0.737SS**  trans75132.8160.7-44.3-41.1000114.7
290S34.5Very low33.2Very low93 Ų93130 Ų13065%0.6574%0.74SS**  cis179.6165.26.541.50000106.7
291L36.5Very low33.2Very low143 Ų143125.8 Ų125.875%0.74973%0.73SS**  trans97.8105.1152.7-50.3-178.1000119.8
292I31.4Very low33Very low142 Ų142129.6 Ų129.673%0.72874%0.74SS**  73.3101.2122.5-60.3169.7000116.9
293S31.3Very low32.8Very low95 Ų95125 Ų12566%0.66472%0.721SS**  151.7149.4102.151.20000113.2
294N33.2Very low32.6Very low158 Ų158132.8 Ų132.885%0.84574%0.737SS**  trans92.271.6165.4-52.8-21.6000116.8
295I28.5Very low32.4Very low158 Ų158133.9 Ų133.981%0.8173%0.733SS**  trans-60.7150.6151.7-70.2164.7000110
296L27.1Very low32Very low161 Ų161134.1 Ų134.184%0.84373%0.734SS**  trans91.584.3166.2-111.189.9000117.3
297E30.7Very low31.9Very low189 Ų189135.8 Ų135.888%0.88374%0.74SS**  trans-13690.7146.4-115.2177.4169.400108
298S29.7Very low31.6Very low118 Ų118138.9 Ų138.983%0.82574%0.743SS**  trans-115.779.6171-158.20000106
299D33.2Very low31.4Very low156 Ų156140.8 Ų140.883%0.83475%0.754SS**  trans-9997.6178.9-97.8-6.2000110.2
300G31.4Very low31Very low66 Ų66140.8 Ų140.868%0.6875%0.753SS**  trans-69.8152.4167.800000112.3R302G300-R302 PolarHBondContact O-N 3.42Å
301I34.1Very low31Very low99 Ų99144 Ų14451%0.50876%0.758SS.*  trans-52114.4179.7-59.4176000110.5A127 L303A127-I301 HydrophobicContact CB-CD1 4.11Å; I301-L303 HydrophobicContact CG2-CD1 4.2Å; I301-L303 HydrophobicContact CG2-CG 4.26Å; I301-L303 PolarHBondContact O-N 3Å
302R29.7Very low30.9Very low238 Ų238145.7 Ų145.790%0.89876%0.762SS**  trans-86.591.3-179.7-130.3-174.2-176.8-159.72.6110.2G300G300-R302 PolarHBondContact O-N 3.42Å
303L30.1Very low30.7Very low59 Ų59143 Ų14331%0.30976%0.761SS.*PPolyproline II helixtrans-83.4134.6176.1-87143.9000112.7L124 R128 I301L124-L303 HydrophobicContact CB-CD2 4.09Å; L124-L303 HydrophobicContact CD1-CD2 4.46Å; L124-L303 HydrophobicContact CD2-CD2 3.75Å; L124-L303 HydrophobicContact CG-CD2 4.32Å; R128-L303 HydrophobicContact CB-CD1 3.54Å; R128-L303 HydrophobicContact CG-CD1 3.8Å; I301-L303 HydrophobicContact CG2-CD1 4.2Å; I301-L303 HydrophobicContact CG2-CG 4.26Å; I301-L303 PolarHBondContact O-N 3Å
304R31.7Very low30.9Very low248 Ų248144.4 Ų144.494%0.93677%0.771SS**PPolyproline II helixtrans-72.2129.8168.2-81.8-179.4171.8160.8-1.5110.5
305H28.2Very low31.1Very low143 Ų143144.7 Ų144.766%0.66277%0.767SS**PPolyproline II helixtrans-89.6133.8-171.9-133.5-90000112.5
306C28Very low31.6Very low124 Ų124140.7 Ų140.784%0.83875%0.75SS**  trans-144.8142.9154.1-122.70000110.7
307T30Very low32.2Very low131 Ų131143.7 Ų143.780%0.80475%0.752SS**  trans-94.6147.6-153.5-41.30000112.7
308Q28.1Very low32.8Very low171 Ų171138 Ų13880%0.79973%0.732SS**  trans-121.6158.3179.7-151.9179.916.600110.4
309P34.8Very low33.9Very low123 Ų123134.6 Ų134.680%0.79971%0.708SS**  trans-143.2164.9136.532.4-13.7000116.9
310N29.8Very low35.1Very low141 Ų141132.1 Ų132.175%0.75469%0.69SS**  trans-68.5156.8-167.6-54.1-43.7000117.1
311H34.4Very low36.9Very low162 Ų162132.6 Ų132.675%0.7568%0.683SS**  -178.8132.6118-109.9-94.6000114.4
312E32.9Very low39Very low177 Ų177129.8 Ų129.883%0.82767%0.667SS**  trans53.8127.3145.3-75.3168.8151.100124.8
313A27.4Very low41.2Very low85 Ų85121 Ų12170%0.70264%0.636SS**  trans-107.8121.7176.100000110.7
314S36.1Very low43.6Very low125 Ų125124.8 Ų124.887%0.87465%0.652SS**SBendtrans-154.1-16.3160.8-127.30000114.4T316S314-T316 PolarHBondContact O-N 3.3Å
315E38.1Very low45.9Very low165 Ų165113.9 Ų113.977%0.77161%0.612SS**  trans-93.87.3-174.7-63.5-173.8158.100115Y317 S318E315-Y317 PolarHBondContact O-N 2.97Å; E315-S318 PolarHBondContact O-N 2.89Å; E315-S318 PolarHBondContact O-OG 3.29Å
316T37.9Very low48.5Very low73 Ų73107.7 Ų107.745%0.44858%0.584SS.*THydrogen-bonded Turntrans-66.9-12.8-159.4-46.20000115.4S314 F320S314-T316 PolarHBondContact O-N 3.3Å; T316-F320 HydrophobicContact CG2-CE2 3.73Å; T316-F320 HydrophobicContact CG2-CZ 4.49Å; T316-F320 WeakPolarHBondContact O-CD2 3.41Å; T316-F320 VanDerWaalsContact O-CE2 3.29Å; T316-F320 WeakPolarHBondContact O-CE2 3.15Å
317Y40.6Very low50.9Low225 Ų225105.6 Ų105.688%0.88257%0.57SS**THydrogen-bonded Turntrans-86.3-27.1-177.4-88.2-86.2000115.2E315E315-Y317 PolarHBondContact O-N 2.97Å
318S43.6Very low53.3Low68 Ų68107.1 Ų107.148%0.47656%0.561SS.*THydrogen-bonded Turntrans-85.6-27.2179.6620000113.1E315 F320E315-S318 PolarHBondContact O-N 2.89Å; E315-S318 PolarHBondContact O-OG 3.29Å; S318-F320 VanDerWaalsContact C-N 3.26Å; S318-F320 PolarHBondContact O-N 3.23Å
319C51.5Low55.6Low47 Ų4799 Ų9932%0.31852%0.523SS..THydrogen-bonded Turntrans-64.6-24.5-172.9-163.30000113.8
320F58.8Low57.7Low104 Ų10495.6 Ų95.646%0.45650%0.502SS..THydrogen-bonded Turntrans-85.3-17.2-172.8-74.1-72000115.6T316 S318 F322 E323T316-F320 HydrophobicContact CG2-CE2 3.73Å; T316-F320 HydrophobicContact CG2-CZ 4.49Å; T316-F320 WeakPolarHBondContact O-CD2 3.41Å; T316-F320 VanDerWaalsContact O-CE2 3.29Å; T316-F320 WeakPolarHBondContact O-CE2 3.15Å; S318-F320 VanDerWaalsContact C-N 3.26Å; S318-F320 PolarHBondContact O-N 3.23Å; F320-F322 PolarHBondContact O-N 2.93Å; F320-F322 VanDerWaalsContact O-N 3.17Å; F320-E323 HydrophobicContact CD1-CG 4.42Å
321S68.4Low60.2Low76 Ų7696 Ų9653%0.53150%0.499SS..THydrogen-bonded Turntrans-64.3-27.5-169.7-152.30000113.2
322F78.4Confident62.2Low40 Ų4093.4 Ų93.418%0.17549%0.489CS..THydrogen-bonded Turntrans-122.611.7-169.3-48.2-59.5000114.4F320 H324 L325 L345 V346 Q349F320-F322 PolarHBondContact O-N 2.93Å; F320-F322 VanDerWaalsContact O-N 3.17Å; F322-H324 PolarHBondContact O-N 3.09Å; F322-H324 VanDerWaalsContact O-N 3.15Å; F322-L325 HydrophobicContact CB-CD1 4.35Å; F322-L325 HydrophobicContact CD1-CD1 4.24Å; F322-L325 WeakPolarHBondContact O-CB 3.36Å; F322-L325 PolarHBondContact O-N 3.48Å; F322-L345 HydrophobicContact CB-CB 3.86Å; F322-L345 HydrophobicContact CB-CD1 4.3Å; F322-L345 HydrophobicContact CD2-CB 4.41Å; F322-L345 WeakPolarHBondContact CD2-O 3.23Å; F322-L345 WeakPolarHBondContact CE2-O 3.21Å; F322-L345 HydrophobicContact CG-CB 4.35Å; F322-V346 HydrophobicContact CD2-CG2 4.29Å; F322-Q349 VanDerWaalsContact CE1-C 3.46Å; F322-Q349 WeakPolarHBondContact CE1-O 3.46Å; F322-Q349 WeakPolarHBondContact CZ-O 3.32Å
323E75.8Confident64.4Low53 Ų5386.4 Ų86.425%0.24846%0.458CS..G310 helixtrans-55.2-35.7-178.4-86.4-6897.900113.6F320 L325 V326 P327 R342F320-E323 HydrophobicContact CD1-CG 4.42Å; E323-L325 PolarHBondContact O-N 3.5Å; E323-V326 PolarHBondContact O-N 3.16Å; E323-P327 WeakPolarHBondContact O-CD 3.25Å; E323-R342 VanDerWaalsContact CD-NH1 3.26Å; E323-R342 IonicContact OE1-CZ 2.72Å; E323-R342 IonicContact OE1-NE 3.16Å; E323-R342 PolarHBondContact OE1-NE 2.81Å; E323-R342 VanDerWaalsContact OE1-NE 3.16Å; E323-R342 IonicContact OE1-NH1 2.84Å; E323-R342 PolarHBondContact OE1-NH1 3.48Å; E323-R342 IonicContact OE1-NH2 2.98Å; E323-R342 PolarHBondContact OE1-NH2 3.44Å; E323-R342 IonicContact OE2-CZ 3.25Å; E323-R342 VanDerWaalsContact OE2-CZ 3.25Å; E323-R342 IonicContact OE2-NH1 3.27Å; E323-R342 PolarHBondContact OE2-NH1 2.77Å; E323-R342 IonicContact OE2-NH2 2.72Å; E323-R342 PolarHBondContact OE2-NH2 3.17Å
324H81.6Confident66.7Low140 Ų14091.8 Ų91.865%0.64846%0.46SS*.G310 helixtrans-70.5-14.9179.167.1-79.8000113.5F322F322-H324 PolarHBondContact O-N 3.09Å; F322-H324 VanDerWaalsContact O-N 3.15Å
325L80.2Confident68.7Low18 Ų1893.4 Ų93.49%0.09446%0.459CS..G310 helixtrans-92.6-19.5177.2-60.4174.5000112.8F322 E323 R328 V329 L345 G350 V352F322-L325 HydrophobicContact CB-CD1 4.35Å; F322-L325 HydrophobicContact CD1-CD1 4.24Å; F322-L325 WeakPolarHBondContact O-CB 3.36Å; F322-L325 PolarHBondContact O-N 3.48Å; E323-L325 PolarHBondContact O-N 3.5Å; L325-R328 VanDerWaalsContact O-CB 3.26Å; L325-R328 WeakPolarHBondContact O-CB 3.39Å; L325-R328 PolarHBondContact O-N 3.26Å; L325-V329 PolarHBondContact O-N 2.71Å; L325-V329 VanDerWaalsContact O-N 3.15Å; L325-L345 HydrophobicContact CB-CD1 3.98Å; L325-L345 HydrophobicContact CB-CD2 4.06Å; L325-L345 HydrophobicContact CD1-CD2 4.24Å; L325-G350 VanDerWaalsContact CD1-O 3.23Å; L325-G350 WeakPolarHBondContact CD1-O 2.94Å; L325-V352 HydrophobicContact CB-CG2 4.45Å; L325-V352 HydrophobicContact CD1-CG2 4.26Å; L325-V352 HydrophobicContact CD2-CG2 4.02Å; L325-V352 HydrophobicContact CG-CG2 4.48Å
326V81.2Confident70.6Confident13 Ų1387 Ų878%0.07943%0.429CS..Hα-helixtrans-56.4-44.7179.2179.50000112.4E323 R328 V329 S330 A338 I341 R342 L345E323-V326 PolarHBondContact O-N 3.16Å; V326-R328 VanDerWaalsContact C-N 3.26Å; V326-R328 PolarHBondContact O-N 3.39Å; V326-V329 PolarHBondContact O-N 3.07Å; V326-S330 WeakPolarHBondContact O-CB 3.35Å; V326-S330 PolarHBondContact O-N 3.09Å; V326-S330 PolarHBondContact O-OG 3.33Å; V326-A338 HydrophobicContact CG1-CB 4.16Å; V326-I341 HydrophobicContact CB-CG2 4.39Å; V326-I341 HydrophobicContact CG1-CG2 4.07Å; V326-I341 HydrophobicContact CG2-CG2 4.39Å; V326-R342 HydrophobicContact CG2-CG 3.75Å; V326-L345 HydrophobicContact CG2-CD1 3.79Å
327P80Confident72.8Confident81 Ų8187.2 Ų87.253%0.52643%0.432SS..Hα-helixtrans-59.5-38.3176.1-24.135000112.5E323 S330 E331E323-P327 WeakPolarHBondContact O-CD 3.25Å; P327-S330 WeakPolarHBondContact CA-OG 3.04Å; P327-S330 PolarHBondContact O-N 3.02Å; P327-S330 PolarHBondContact O-OG 2.73Å; P327-E331 PolarHBondContact O-N 2.83Å
328R79Confident74.7Confident163 Ų16378.9 Ų78.962%0.61541%0.41SS*.Hα-helixtrans-63.9-44.8-179.4-124.6179.5-173.8170.90.3112.1L325 V326L325-R328 VanDerWaalsContact O-CB 3.26Å; L325-R328 WeakPolarHBondContact O-CB 3.39Å; L325-R328 PolarHBondContact O-N 3.26Å; V326-R328 VanDerWaalsContact C-N 3.26Å; V326-R328 PolarHBondContact O-N 3.39Å
329V77.1Confident76.5Confident0 Ų079.6 Ų79.60%042%0.415CS..Hα-helixtrans-71.5-37.9176.6-178.20000110.9L325 V326 E331 I332 L333 I341 L345 V352 I356 L359L325-V329 PolarHBondContact O-N 2.71Å; L325-V329 VanDerWaalsContact O-N 3.15Å; V326-V329 PolarHBondContact O-N 3.07Å; V329-E331 PolarHBondContact O-N 3.31Å; V329-I332 PolarHBondContact O-N 3.47Å; V329-I332 VanDerWaalsContact O-N 3.14Å; V329-L333 HydrophobicContact CG1-CD1 4.25Å; V329-L333 PolarHBondContact O-N 3.39Å; V329-I341 HydrophobicContact CB-CD1 4.36Å; V329-I341 HydrophobicContact CB-CG2 3.6Å; V329-I341 HydrophobicContact CG1-CB 4.43Å; V329-I341 HydrophobicContact CG1-CD1 4.03Å; V329-I341 HydrophobicContact CG1-CG1 3.97Å; V329-I341 HydrophobicContact CG1-CG2 3.72Å; V329-I341 HydrophobicContact CG2-CG2 4.13Å; V329-L345 HydrophobicContact CG2-CD1 4.44Å; V329-L345 HydrophobicContact CG2-CD2 4.25Å; V329-V352 HydrophobicContact CG2-CG1 4.01Å; V329-I356 HydrophobicContact CG1-CG1 4.35Å; V329-L359 HydrophobicContact CG1-CD1 3.83Å
330S79.6Confident78Confident51 Ų5180.4 Ų80.436%0.35741%0.411SS..Hα-helixtrans-66.3-25.2178.874.80000113.7V326 P327 I332V326-S330 WeakPolarHBondContact O-CB 3.35Å; V326-S330 PolarHBondContact O-N 3.09Å; V326-S330 PolarHBondContact O-OG 3.33Å; P327-S330 WeakPolarHBondContact CA-OG 3.04Å; P327-S330 PolarHBondContact O-N 3.02Å; P327-S330 PolarHBondContact O-OG 2.73Å; S330-I332 VanDerWaalsContact C-N 3.33Å
331E80.9Confident79.1Confident149 Ų14975.5 Ų75.570%0.69639%0.39SS*.Hα-helixtrans-70.6-32.8175.4-167.2172.7-170.400111.7P327 V329P327-E331 PolarHBondContact O-N 2.83Å; V329-E331 PolarHBondContact O-N 3.31Å
332I77.5Confident79.9Confident108 Ų10876.1 Ų76.155%0.55438%0.38SS*.Hα-helixtrans-85-44.3-179.5-58.4169.4000111V329 S330 I356V329-I332 PolarHBondContact O-N 3.47Å; V329-I332 VanDerWaalsContact O-N 3.14Å; S330-I332 VanDerWaalsContact C-N 3.33Å; I332-I356 HydrophobicContact CD1-CD1 3.82Å; I332-I356 HydrophobicContact CG2-CD1 4.45Å
333L79Confident80.1Confident31 Ų3179.7 Ų79.716%0.16240%0.398CS..  trans-113.480.2-176.6-62.9170.7000110.1V329 D335 I336 I356 L359 L360V329-L333 HydrophobicContact CG1-CD1 4.25Å; V329-L333 PolarHBondContact O-N 3.39Å; L333-D335 PolarHBondContact O-N 3.08Å; L333-I336 HydrophobicContact CB-CB 4.46Å; L333-I336 HydrophobicContact CB-CD1 3.83Å; L333-I336 HydrophobicContact CB-CG1 4.1Å; L333-I336 HydrophobicContact CD1-CD1 3.66Å; L333-I336 HydrophobicContact CD2-CD1 4.36Å; L333-I336 HydrophobicContact CG-CD1 4.15Å; L333-I336 PolarHBondContact O-N 2.83Å; L333-I356 HydrophobicContact CD1-CG1 4.21Å; L333-I356 HydrophobicContact CD1-CG2 4.28Å; L333-L359 HydrophobicContact CD1-CB 4.14Å; L333-L359 HydrophobicContact CD1-CD1 3.86Å; L333-L360 HydrophobicContact CD2-CD2 4.45Å
334R75Confident80.5Confident197 Ų19777.2 Ų77.274%0.74339%0.386SS*.THydrogen-bonded Turntrans-64.5-23.6-174.6-68.3-177.7-173.7-178.4-0114.4
335D78.3Confident80.6Confident160 Ų16070.5 Ų70.586%0.85636%0.355SS*.THydrogen-bonded Turntrans-92.9-4.7-171.3-56.4-34.8000113.2L333L333-D335 PolarHBondContact O-N 3.08Å
336I78.7Confident80.8Confident29 Ų2972.2 Ų72.215%0.14937%0.366CS..SBendtrans-98.5127.9-174.8-56.5-175.8000110.2L333 A338 R340 I341 L359L333-I336 HydrophobicContact CB-CB 4.46Å; L333-I336 HydrophobicContact CB-CD1 3.83Å; L333-I336 HydrophobicContact CB-CG1 4.1Å; L333-I336 HydrophobicContact CD1-CD1 3.66Å; L333-I336 HydrophobicContact CD2-CD1 4.36Å; L333-I336 HydrophobicContact CG-CD1 4.15Å; L333-I336 PolarHBondContact O-N 2.83Å; I336-A338 PolarHBondContact O-N 3.18Å; I336-R340 HydrophobicContact CG2-CB 3.75Å; I336-R340 HydrophobicContact CG2-CG 4.48Å; I336-I341 HydrophobicContact CB-CG1 4.49Å; I336-I341 HydrophobicContact CG2-CG1 4.04Å; I336-L359 HydrophobicContact CD1-CB 3.96Å; I336-L359 HydrophobicContact CD1-CD1 4.3Å; I336-L359 HydrophobicContact CD1-CD2 4.41Å; I336-L359 HydrophobicContact CD1-CG 4.46Å; I336-L359 HydrophobicContact CG2-CD2 4Å
337P83.3Confident80.9Confident78 Ų7876.5 Ų76.551%0.50639%0.389SS..  trans-63.1139.7177.925.1-32.5000111.1S339 R340 I341P337-S339 PolarHBondContact O-N 3.43Å; P337-R340 HydrophobicContact CG-CB 4.35Å; P337-R340 PolarHBondContact O-N 3.39Å; P337-I341 PolarHBondContact O-N 2.91Å
338A80.6Confident81.1Confident50 Ų5073.9 Ų73.941%0.41337%0.371SS..Hα-helixtrans-56.4-21.3-177.200000114.3V326 I336 R342V326-A338 HydrophobicContact CG1-CB 4.16Å; I336-A338 PolarHBondContact O-N 3.18Å; A338-R342 VanDerWaalsContact O-CG 3.28Å; A338-R342 WeakPolarHBondContact O-CG 3.49Å; A338-R342 PolarHBondContact O-N 3.48Å
339S81Confident81.1Confident83 Ų8374.2 Ų74.258%0.5838%0.38SS*.Hα-helixtrans-64.9-44.2172.550.30000112.4P337 I341 R342 E343P337-S339 PolarHBondContact O-N 3.43Å; S339-I341 VanDerWaalsContact C-N 3.31Å; S339-I341 PolarHBondContact O-N 3.39Å; S339-R342 PolarHBondContact O-N 3.38Å; S339-E343 PolarHBondContact O-N 3.15Å
340R83Confident81.1Confident65 Ų6575 Ų7525%0.24539%0.388CS..Hα-helixtrans-67.6-36178.6-140.9-178-164.3178.11.6110.9I336 P337 E343 A344 L359 N362I336-R340 HydrophobicContact CG2-CB 3.75Å; I336-R340 HydrophobicContact CG2-CG 4.48Å; P337-R340 HydrophobicContact CG-CB 4.35Å; P337-R340 PolarHBondContact O-N 3.39Å; R340-E343 PolarHBondContact O-N 3.33Å; R340-A344 WeakPolarHBondContact O-CB 3.27Å; R340-A344 PolarHBondContact O-N 3.27Å; R340-L359 HydrophobicContact CB-CD2 4.04Å; R340-L359 HydrophobicContact CG-CD2 3.91Å; R340-L359 WeakPolarHBondContact O-CD2 3.48Å; R340-N362 PolarHBondContact NH2-O 2.77Å
341I83.4Confident81.2Confident1 Ų176.1 Ų76.11%0.00539%0.39CS..Hα-helixtrans-63.1-44.4174-63.8175000111.2V326 V329 I336 P337 S339 A344 L345 L359V326-I341 HydrophobicContact CB-CG2 4.39Å; V326-I341 HydrophobicContact CG1-CG2 4.07Å; V326-I341 HydrophobicContact CG2-CG2 4.39Å; V329-I341 HydrophobicContact CB-CD1 4.36Å; V329-I341 HydrophobicContact CB-CG2 3.6Å; V329-I341 HydrophobicContact CG1-CB 4.43Å; V329-I341 HydrophobicContact CG1-CD1 4.03Å; V329-I341 HydrophobicContact CG1-CG1 3.97Å; V329-I341 HydrophobicContact CG1-CG2 3.72Å; V329-I341 HydrophobicContact CG2-CG2 4.13Å; I336-I341 HydrophobicContact CB-CG1 4.49Å; I336-I341 HydrophobicContact CG2-CG1 4.04Å; P337-I341 PolarHBondContact O-N 2.91Å; S339-I341 VanDerWaalsContact C-N 3.31Å; S339-I341 PolarHBondContact O-N 3.39Å; I341-A344 PolarHBondContact O-N 3.19Å; I341-L345 HydrophobicContact CG2-CD1 3.81Å; I341-L345 HydrophobicContact CG2-CG 4.38Å; I341-L345 WeakPolarHBondContact O-CB 3.17Å; I341-L345 VanDerWaalsContact O-CG 3.27Å; I341-L345 WeakPolarHBondContact O-CG 3.38Å; I341-L345 PolarHBondContact O-N 3.23Å; I341-L359 HydrophobicContact CG1-CD1 3.94Å
342R83.9Confident81.3Confident89 Ų8970.5 Ų70.534%0.33637%0.365SS..Hα-helixtrans-61.5-46.4176.1-73.2169-169.2-121.4-10.1111.2E323 V326 A338 S339 L345 V346E323-R342 VanDerWaalsContact CD-NH1 3.26Å; E323-R342 IonicContact OE1-CZ 2.72Å; E323-R342 IonicContact OE1-NE 3.16Å; E323-R342 PolarHBondContact OE1-NE 2.81Å; E323-R342 VanDerWaalsContact OE1-NE 3.16Å; E323-R342 IonicContact OE1-NH1 2.84Å; E323-R342 PolarHBondContact OE1-NH1 3.48Å; E323-R342 IonicContact OE1-NH2 2.98Å; E323-R342 PolarHBondContact OE1-NH2 3.44Å; E323-R342 IonicContact OE2-CZ 3.25Å; E323-R342 VanDerWaalsContact OE2-CZ 3.25Å; E323-R342 IonicContact OE2-NH1 3.27Å; E323-R342 PolarHBondContact OE2-NH1 2.77Å; E323-R342 IonicContact OE2-NH2 2.72Å; E323-R342 PolarHBondContact OE2-NH2 3.17Å; V326-R342 HydrophobicContact CG2-CG 3.75Å; A338-R342 VanDerWaalsContact O-CG 3.28Å; A338-R342 WeakPolarHBondContact O-CG 3.49Å; A338-R342 PolarHBondContact O-N 3.48Å; S339-R342 PolarHBondContact O-N 3.38Å; R342-L345 PolarHBondContact O-N 2.89Å; R342-V346 VanDerWaalsContact O-CG2 3.28Å; R342-V346 WeakPolarHBondContact O-CG2 3.43Å; R342-V346 PolarHBondContact O-N 2.91Å
343E83.1Confident81.6Confident115 Ų11572.4 Ų72.454%0.53737%0.372SS..Hα-helixtrans-59-47.7177.2-174-179.1-176.100111.2S339 R340 L345 V346 N347S339-E343 PolarHBondContact O-N 3.15Å; R340-E343 PolarHBondContact O-N 3.33Å; E343-L345 PolarHBondContact O-N 2.81Å; E343-V346 PolarHBondContact O-N 2.96Å; E343-N347 WeakPolarHBondContact O-CB 3.43Å; E343-N347 PolarHBondContact O-N 2.8Å
344A83.8Confident81.9Confident0 Ų073.4 Ų73.40%038%0.382CS..Hα-helixtrans-60.2-43.4176.300000112.4R340 I341 N347 T348 A355 Y358 L359R340-A344 WeakPolarHBondContact O-CB 3.27Å; R340-A344 PolarHBondContact O-N 3.27Å; I341-A344 PolarHBondContact O-N 3.19Å; A344-N347 PolarHBondContact O-N 2.73Å; A344-T348 WeakPolarHBondContact O-CB 3.49Å; A344-T348 WeakPolarHBondContact O-CG2 3.34Å; A344-T348 PolarHBondContact O-N 3.29Å; A344-T348 PolarHBondContact O-OG1 2.83Å; A344-A355 HydrophobicContact CB-CB 4.25Å; A344-Y358 HydrophobicContact CB-CD1 3.74Å; A344-Y358 HydrophobicContact CB-CE1 4.48Å; A344-L359 HydrophobicContact CB-CD1 4.07Å; A344-L359 HydrophobicContact CB-CD2 3.76Å; A344-L359 HydrophobicContact CB-CG 3.57Å
345L84.6Confident82.3Confident0 Ų064 Ų640%035%0.346CS..Hα-helixtrans-66.3-36177.7-75.2168.1000112.7F322 L325 V326 V329 I341 R342 E343 Q349 G350 A355F322-L345 HydrophobicContact CB-CB 3.86Å; F322-L345 HydrophobicContact CB-CD1 4.3Å; F322-L345 HydrophobicContact CD2-CB 4.41Å; F322-L345 WeakPolarHBondContact CD2-O 3.23Å; F322-L345 WeakPolarHBondContact CE2-O 3.21Å; F322-L345 HydrophobicContact CG-CB 4.35Å; L325-L345 HydrophobicContact CB-CD1 3.98Å; L325-L345 HydrophobicContact CB-CD2 4.06Å; L325-L345 HydrophobicContact CD1-CD2 4.24Å; V326-L345 HydrophobicContact CG2-CD1 3.79Å; V329-L345 HydrophobicContact CG2-CD1 4.44Å; V329-L345 HydrophobicContact CG2-CD2 4.25Å; I341-L345 HydrophobicContact CG2-CD1 3.81Å; I341-L345 HydrophobicContact CG2-CG 4.38Å; I341-L345 WeakPolarHBondContact O-CB 3.17Å; I341-L345 VanDerWaalsContact O-CG 3.27Å; I341-L345 WeakPolarHBondContact O-CG 3.38Å; I341-L345 PolarHBondContact O-N 3.23Å; R342-L345 PolarHBondContact O-N 2.89Å; E343-L345 PolarHBondContact O-N 2.81Å; L345-Q349 PolarHBondContact O-N 2.99Å; L345-G350 PolarHBondContact O-N 2.91Å; L345-A355 HydrophobicContact CD2-CB 3.81Å; L345-A355 HydrophobicContact CG-CB 4.22Å
346V84.2Confident82.6Confident54 Ų5457.8 Ų57.833%0.32731%0.313SS..Hα-helixtrans-67-43.3173.8170.80000110.1F322 R342 E343 T348 Q349F322-V346 HydrophobicContact CD2-CG2 4.29Å; R342-V346 VanDerWaalsContact O-CG2 3.28Å; R342-V346 WeakPolarHBondContact O-CG2 3.43Å; R342-V346 PolarHBondContact O-N 2.91Å; E343-V346 PolarHBondContact O-N 2.96Å; V346-T348 VanDerWaalsContact C-N 3.3Å; V346-T348 PolarHBondContact O-N 2.82Å; V346-Q349 PolarHBondContact O-N 3.16Å
347N82.7Confident82.8Confident103 Ų10361.2 Ų61.255%0.55133%0.331SS*.Hα-helixtrans-68.3-29.8179.9-123.622.4000113.2E343 A344 Y358E343-N347 WeakPolarHBondContact O-CB 3.43Å; E343-N347 PolarHBondContact O-N 2.8Å; A344-N347 PolarHBondContact O-N 2.73Å; N347-Y358 WeakPolarHBondContact ND2-CE2 3.48Å; N347-Y358 PolarHBondContact ND2-OH 3.16Å
348T83.8Confident82.9Confident26 Ų2661.3 Ų61.316%0.1632%0.322CS..THydrogen-bonded Turntrans-100.913.2-177.256.60000113.2A344 V346 G350 D351 A355A344-T348 WeakPolarHBondContact O-CB 3.49Å; A344-T348 WeakPolarHBondContact O-CG2 3.34Å; A344-T348 PolarHBondContact O-N 3.29Å; A344-T348 PolarHBondContact O-OG1 2.83Å; V346-T348 VanDerWaalsContact C-N 3.3Å; V346-T348 PolarHBondContact O-N 2.82Å; T348-G350 PolarHBondContact O-N 2.9Å; T348-G350 VanDerWaalsContact O-N 3.11Å; T348-D351 PolarHBondContact O-N 2.84Å; T348-D351 VanDerWaalsContact O-N 3.11Å; T348-D351 PolarHBondContact OG1-O 3Å; T348-A355 WeakPolarHBondContact OG1-CB 3.22Å
349Q79.2Confident83.1Confident170 Ų17059 Ų5979%0.79430%0.303SS*.THydrogen-bonded Turntrans52.632.5177.2-63.9-177.6-9.600114.2F322 L345 V346F322-Q349 VanDerWaalsContact CE1-C 3.46Å; F322-Q349 WeakPolarHBondContact CE1-O 3.46Å; F322-Q349 WeakPolarHBondContact CZ-O 3.32Å; L345-Q349 PolarHBondContact O-N 2.99Å; V346-Q349 PolarHBondContact O-N 3.16Å
350G76.6Confident83.1Confident17 Ų1759.5 Ų59.518%0.17530%0.299CS..THydrogen-bonded Turntrans85.38.5177.600000115.7L325 L345 T348 V352L325-G350 VanDerWaalsContact CD1-O 3.23Å; L325-G350 WeakPolarHBondContact CD1-O 2.94Å; L345-G350 PolarHBondContact O-N 2.91Å; T348-G350 PolarHBondContact O-N 2.9Å; T348-G350 VanDerWaalsContact O-N 3.11Å; G350-V352 PolarHBondContact O-N 2.97Å
351D83Confident83Confident74 Ų7463.9 Ų63.940%0.39632%0.322SS..  trans-78.8118.2168.9-177.421.1000111T348 E353 S354 A355T348-D351 PolarHBondContact O-N 2.84Å; T348-D351 VanDerWaalsContact O-N 3.11Å; T348-D351 PolarHBondContact OG1-O 3Å; D351-E353 PolarHBondContact OD1-N 3.47Å; D351-S354 VanDerWaalsContact OD2-CB 3.27Å; D351-S354 WeakPolarHBondContact OD2-CB 3.24Å; D351-S354 PolarHBondContact OD2-N 3Å; D351-S354 PolarHBondContact OD2-OG 2.9Å; D351-A355 VanDerWaalsContact O-CB 3.25Å; D351-A355 WeakPolarHBondContact O-CB 3.35Å; D351-A355 PolarHBondContact O-N 3.2Å
352V82.9Confident82.5Confident30 Ų3066.2 Ų66.218%0.18233%0.334CS..Hα-helixtrans-70-37-174.7176.80000111.4L325 V329 G350 A355 I356L325-V352 HydrophobicContact CB-CG2 4.45Å; L325-V352 HydrophobicContact CD1-CG2 4.26Å; L325-V352 HydrophobicContact CD2-CG2 4.02Å; L325-V352 HydrophobicContact CG-CG2 4.48Å; V329-V352 HydrophobicContact CG2-CG1 4.01Å; G350-V352 PolarHBondContact O-N 2.97Å; V352-A355 PolarHBondContact O-N 3.05Å; V352-I356 HydrophobicContact CG1-CD1 4.08Å; V352-I356 WeakPolarHBondContact O-CD1 3.42Å; V352-I356 VanDerWaalsContact O-CG1 3.26Å; V352-I356 WeakPolarHBondContact O-CG1 3.31Å; V352-I356 PolarHBondContact O-N 3.27Å; V352-I356 VanDerWaalsContact O-N 3.09Å
353E84Confident81.6Confident148 Ų14864.6 Ų64.669%0.69234%0.336SS*.Hα-helixtrans-71.2-49.5-179.6-66.8-170.2166.600110.3D351 A355 I356 D357D351-E353 PolarHBondContact OD1-N 3.47Å; E353-A355 VanDerWaalsContact C-N 3.25Å; E353-A355 PolarHBondContact O-N 3.41Å; E353-I356 WeakPolarHBondContact O-CB 3.25Å; E353-I356 PolarHBondContact O-N 3.38Å; E353-D357 PolarHBondContact O-N 3.36Å
354S84.8Confident80.3Confident53 Ų5365.6 Ų65.637%0.37135%0.346SS..Hα-helixtrans-58.2-36.7173.4-62.90000112.5D351 D357 Y358D351-S354 VanDerWaalsContact OD2-CB 3.27Å; D351-S354 WeakPolarHBondContact OD2-CB 3.24Å; D351-S354 PolarHBondContact OD2-N 3Å; D351-S354 PolarHBondContact OD2-OG 2.9Å; S354-D357 PolarHBondContact O-N 3.02Å; S354-Y358 WeakPolarHBondContact O-CB 3.15Å; S354-Y358 PolarHBondContact O-N 3.4Å
355A84.1Confident78.8Confident0 Ų072.1 Ų72.10%038%0.381CS..Hα-helixtrans-65.3-37.917600000112.4A344 L345 T348 D351 V352 E353 L359A344-A355 HydrophobicContact CB-CB 4.25Å; L345-A355 HydrophobicContact CD2-CB 3.81Å; L345-A355 HydrophobicContact CG-CB 4.22Å; T348-A355 WeakPolarHBondContact OG1-CB 3.22Å; D351-A355 VanDerWaalsContact O-CB 3.25Å; D351-A355 WeakPolarHBondContact O-CB 3.35Å; D351-A355 PolarHBondContact O-N 3.2Å; V352-A355 PolarHBondContact O-N 3.05Å; E353-A355 VanDerWaalsContact C-N 3.25Å; E353-A355 PolarHBondContact O-N 3.41Å; A355-L359 WeakPolarHBondContact O-CB 3.35Å; A355-L359 WeakPolarHBondContact O-CD1 3.43Å; A355-L359 WeakPolarHBondContact O-CG 3.5Å; A355-L359 PolarHBondContact O-N 3.12Å
356I83Confident76.7Confident28 Ų2876.1 Ų76.114%0.14441%0.408CS..Hα-helixtrans-66.3-45.2175.5-70.8163.3000109.9V329 I332 L333 V352 E353 Y358 L359 L360V329-I356 HydrophobicContact CG1-CG1 4.35Å; I332-I356 HydrophobicContact CD1-CD1 3.82Å; I332-I356 HydrophobicContact CG2-CD1 4.45Å; L333-I356 HydrophobicContact CD1-CG1 4.21Å; L333-I356 HydrophobicContact CD1-CG2 4.28Å; V352-I356 HydrophobicContact CG1-CD1 4.08Å; V352-I356 WeakPolarHBondContact O-CD1 3.42Å; V352-I356 VanDerWaalsContact O-CG1 3.26Å; V352-I356 WeakPolarHBondContact O-CG1 3.31Å; V352-I356 PolarHBondContact O-N 3.27Å; V352-I356 VanDerWaalsContact O-N 3.09Å; E353-I356 WeakPolarHBondContact O-CB 3.25Å; E353-I356 PolarHBondContact O-N 3.38Å; I356-Y358 PolarHBondContact O-N 2.89Å; I356-L359 PolarHBondContact O-N 2.92Å; I356-L360 HydrophobicContact CG2-CD1 3.84Å; I356-L360 HydrophobicContact CG2-CG 4.39Å; I356-L360 VanDerWaalsContact O-CG 3.3Å; I356-L360 WeakPolarHBondContact O-CG 3.39Å; I356-L360 PolarHBondContact O-N 3.45Å
357D84.7Confident74.4Confident102 Ų10280.6 Ų80.655%0.54543%0.431SS..Hα-helixtrans-62.6-44.2177.7-71.8-14.6000111.3E353 S354 L359 L360 E361E353-D357 PolarHBondContact O-N 3.36Å; S354-D357 PolarHBondContact O-N 3.02Å; D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 3.33Å; D357-L360 PolarHBondContact O-N 2.95Å; D357-L360 VanDerWaalsContact O-N 3.17Å; D357-E361 WeakPolarHBondContact O-CB 3.49Å; D357-E361 PolarHBondContact O-N 2.86Å
358Y84.5Confident72.2Confident80 Ų8082.2 Ų82.231%0.31444%0.444SS..Hα-helixtrans-61.2-36.4175.4-173.5-93.6000112.9A344 N347 S354 I356 N362A344-Y358 HydrophobicContact CB-CD1 3.74Å; A344-Y358 HydrophobicContact CB-CE1 4.48Å; N347-Y358 WeakPolarHBondContact ND2-CE2 3.48Å; N347-Y358 PolarHBondContact ND2-OH 3.16Å; S354-Y358 WeakPolarHBondContact O-CB 3.15Å; S354-Y358 PolarHBondContact O-N 3.4Å; I356-Y358 PolarHBondContact O-N 2.89Å; Y358-N362 WeakPolarHBondContact CE1-ND2 3.28Å; Y358-N362 WeakPolarHBondContact CE2-ND2 3.46Å; Y358-N362 WeakPolarHBondContact O-CB 3.18Å; Y358-N362 PolarHBondContact O-N 2.85Å; Y358-N362 PolarHBondContact O-ND2 3.23Å; Y358-N362 PolarHBondContact OH-ND2 3.2Å
359L85.3Confident69.8Low2 Ų290 Ų901%0.0148%0.479CS..Hα-helixtrans-71.9-35.2176.3-76.4171.3000112.5V329 L333 I336 R340 I341 A344 A355 I356 D357 S363V329-L359 HydrophobicContact CG1-CD1 3.83Å; L333-L359 HydrophobicContact CD1-CB 4.14Å; L333-L359 HydrophobicContact CD1-CD1 3.86Å; I336-L359 HydrophobicContact CD1-CB 3.96Å; I336-L359 HydrophobicContact CD1-CD1 4.3Å; I336-L359 HydrophobicContact CD1-CD2 4.41Å; I336-L359 HydrophobicContact CD1-CG 4.46Å; I336-L359 HydrophobicContact CG2-CD2 4Å; R340-L359 HydrophobicContact CB-CD2 4.04Å; R340-L359 HydrophobicContact CG-CD2 3.91Å; R340-L359 WeakPolarHBondContact O-CD2 3.48Å; I341-L359 HydrophobicContact CG1-CD1 3.94Å; A344-L359 HydrophobicContact CB-CD1 4.07Å; A344-L359 HydrophobicContact CB-CD2 3.76Å; A344-L359 HydrophobicContact CB-CG 3.57Å; A355-L359 WeakPolarHBondContact O-CB 3.35Å; A355-L359 WeakPolarHBondContact O-CD1 3.43Å; A355-L359 WeakPolarHBondContact O-CG 3.5Å; A355-L359 PolarHBondContact O-N 3.12Å; I356-L359 PolarHBondContact O-N 2.92Å; D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 3.33Å; L359-S363 PolarHBondContact O-N 2.92Å
360L81.3Confident67.6Low93 Ų9394 Ų9449%0.48749%0.487SS..Hα-helixtrans-72.6-41.6177.2-71.2171.4000111.4L333 I356 D357 N362 S363L333-L360 HydrophobicContact CD2-CD2 4.45Å; I356-L360 HydrophobicContact CG2-CD1 3.84Å; I356-L360 HydrophobicContact CG2-CG 4.39Å; I356-L360 VanDerWaalsContact O-CG 3.3Å; I356-L360 WeakPolarHBondContact O-CG 3.39Å; I356-L360 PolarHBondContact O-N 3.45Å; D357-L360 PolarHBondContact O-N 2.95Å; D357-L360 VanDerWaalsContact O-N 3.17Å; L360-N362 PolarHBondContact O-N 3Å; L360-S363 PolarHBondContact O-N 3.44Å
361E79.6Confident65.5Low156 Ų15696.8 Ų96.873%0.72952%0.515SS*.Hα-helixtrans-62.5-42.6178.2-158.784.3-151.800111.3D357 S363D357-E361 WeakPolarHBondContact O-CB 3.49Å; D357-E361 PolarHBondContact O-N 2.86Å; E361-S363 PolarHBondContact O-N 3Å
362N73Confident63.1Low50 Ų5098.7 Ų98.727%0.26753%0.534SS..G310 helixtrans-86.50.3-177.9-72.3-40.3000114.6R340 Y358 L360 N364R340-N362 PolarHBondContact NH2-O 2.77Å; Y358-N362 WeakPolarHBondContact CE1-ND2 3.28Å; Y358-N362 WeakPolarHBondContact CE2-ND2 3.46Å; Y358-N362 WeakPolarHBondContact O-CB 3.18Å; Y358-N362 PolarHBondContact O-N 2.85Å; Y358-N362 PolarHBondContact O-ND2 3.23Å; Y358-N362 PolarHBondContact OH-ND2 3.2Å; L360-N362 PolarHBondContact O-N 3Å; N362-N364 PolarHBondContact O-N 2.77Å
363S66.4Low60.8Low55 Ų55105 Ų10539%0.38557%0.567SS.*G310 helixtrans-69-16.7-179.3-166.40000113.2L359 L360 E361L359-S363 PolarHBondContact O-N 2.92Å; L360-S363 PolarHBondContact O-N 3.44Å; E361-S363 PolarHBondContact O-N 3Å
364N55Low58.5Low137 Ų137107.1 Ų107.173%0.73358%0.577SS**G310 helixtrans-87.8-7.1-172-69.3-28.6000115.5N362N362-N364 PolarHBondContact O-N 2.77Å
365D51.6Low56.3Low137 Ų137111.5 Ų111.573%0.73360%0.601SS**SBendtrans-97.318.8-172.1-78.4-22.6000115
366S42.1Very low54Low83 Ų83117.9 Ų117.958%0.5864%0.635SS**  trans-141.341.8-177.5-54.20000114.4
367D35.8Very low51.6Low149 Ų149124.2 Ų124.280%0.79766%0.664SS**  trans-129.982.1167.6-81.4-37.5000110.6
368T34.9Very low49.3Very low137 Ų137125.3 Ų125.384%0.8467%0.674SS**  trans-151.979161-40.40000111
369Q34.8Very low47.2Very low189 Ų189129.5 Ų129.588%0.88370%0.699SS**  trans172.9135.4136.2-99.1173.42.300110.5
370R33.1Very low44.8Very low255 Ų255134.3 Ų134.396%0.96273%0.733SS**  trans96.2103.8152-131173.7-163.2-1784117
371G31.6Very low43.2Very low74 Ų74136.3 Ų136.376%0.76375%0.748SS**  trans111.675137.400000115.5N373G371-N373 PolarHBondContact O-N 2.84Å
372S32.2Very low41.2Very low114 Ų114133.4 Ų133.480%0.79774%0.736SS**  trans-53.7121.115952.10000111.3
373N35.3Very low39.6Very low162 Ų162134.5 Ų134.587%0.86675%0.747SS**  trans-153.2110.6144.5-91.2-21.4000108.1G371G371-N373 PolarHBondContact O-N 2.84Å
374Q35.5Very low38.7Very low194 Ų194136.4 Ų136.491%0.90776%0.758SS**  trans-61.1129.7174.2-78.8167.9-3600110.8
375V38Very low38.6Very low145 Ų145134.9 Ų134.988%0.87976%0.758SS**  trans-133.8125.9148-179.90000107.7
376D35.6Very low38.6Very low133 Ų133137.3 Ų137.371%0.71176%0.757SS**  trans-63.5136.2-172.6-87.7-46.4000115.1
377H33.3Very low39.2Very low162 Ų162136.8 Ų136.875%0.7575%0.745SS**  trans48130.9132.7-82.1-66.9000122.8
378T36Very low40.4Very low124 Ų124134.9 Ų134.976%0.76175%0.75SS**  trans8685.5145.259.70000118.6
379M40.1Very low41.8Very low169 Ų169130 Ų13083%0.83372%0.72SS**  -155.599.3126.6-81-124.8101.700108.8V381M379-V381 PolarHBondContact O-N 3Å
380S36.3Very low43.3Very low103 Ų103124.7 Ų124.772%0.7271%0.708SS**  trans-67.1100.7166.4176.50000108M382S380-M382 VanDerWaalsContact C-N 3.31Å; S380-M382 PolarHBondContact O-N 3.18Å; S380-M382 VanDerWaalsContact O-N 3.1Å
381V46.4Very low45Very low134 Ų134114.3 Ų114.381%0.81268%0.677SS**  trans-73.895162.2-179.20000105.5M379 S383M379-V381 PolarHBondContact O-N 3Å; V381-S383 PolarHBondContact O-N 2.95Å
382M39.1Very low47Very low95 Ų95117.1 Ų117.147%0.46868%0.682SS.*  trans-55.8123.9175-78.2171.564.800109.3S380 R386S380-M382 VanDerWaalsContact C-N 3.31Å; S380-M382 PolarHBondContact O-N 3.18Å; S380-M382 VanDerWaalsContact O-N 3.1Å; M382-R386 HydrophobicContact CE-CB 3.5Å
383S38.4Very low49.2Very low74 Ų74118.9 Ų118.952%0.51768%0.677SS.*  trans-50.5142.9168.7-71.20000110.3V381 S385 R386V381-S383 PolarHBondContact O-N 2.95Å; S383-S385 WeakPolarHBondContact CB-OG 3.45Å; S383-S385 PolarHBondContact O-N 3.03Å; S383-R386 PolarHBondContact O-N 2.62Å
384P47.3Very low51.2Low94 Ų94119.5 Ų119.561%0.6167%0.672SS**G310 helixtrans-54.2-25.3-178.4-24.332000113.8R386 F387P384-R386 PolarHBondContact O-N 3.22Å; P384-F387 PolarHBondContact O-N 2.76Å; P384-F387 VanDerWaalsContact O-N 3.13Å
385S52.2Low53.4Low105 Ų105113.1 Ų113.173%0.73464%0.644SS**G310 helixtrans-61.4-20.6175.6500000114.5S383S383-S385 WeakPolarHBondContact CB-OG 3.45Å; S383-S385 PolarHBondContact O-N 3.03Å
386R52.8Low55.4Low188 Ų188111.7 Ų111.771%0.70964%0.638SS**G310 helixtrans-93.50.7175.3-70.1-168.8-176.9-179.62.3114.3M382 S383 P384 A388M382-R386 HydrophobicContact CE-CB 3.5Å; S383-R386 PolarHBondContact O-N 2.62Å; P384-R386 PolarHBondContact O-N 3.22Å; R386-A388 PolarHBondContact O-N 3.08Å
387F55.1Low57.7Low72 Ų72109.2 Ų109.232%0.31663%0.625SS.*  trans-68.3120.6167-80.4-72.3000108.5P384 V389 A390 H415P384-F387 PolarHBondContact O-N 2.76Å; P384-F387 VanDerWaalsContact O-N 3.13Å; F387-V389 HydrophobicContact CB-CB 4.2Å; F387-V389 HydrophobicContact CB-CG2 3.99Å; F387-V389 HydrophobicContact CD1-CG2 4.39Å; F387-V389 PolarHBondContact O-N 3.38Å; F387-A390 PolarHBondContact O-N 3.18Å; F387-H415 AromaticContact CE1-CE1 3.54Å; F387-H415 AromaticContact CE1-ND1 3.63Å
388A60.9Low60.3Low109 Ų109104.9 Ų104.990%0.90161%0.613SS**THydrogen-bonded Turntrans-62.717.9168.800000113.5R386R386-A388 PolarHBondContact O-N 3.08Å
389V63.8Low62.6Low36 Ų36101.5 Ų101.522%0.21859%0.594CS.*THydrogen-bonded Turntrans-91.1-8.3179.4-170.80000110.8F387 R408 L412F387-V389 HydrophobicContact CB-CB 4.2Å; F387-V389 HydrophobicContact CB-CG2 3.99Å; F387-V389 HydrophobicContact CD1-CG2 4.39Å; F387-V389 PolarHBondContact O-N 3.38Å; V389-R408 HydrophobicContact CG1-CB 3.8Å; V389-R408 HydrophobicContact CG1-CG 3.93Å; V389-R408 WeakPolarHBondContact O-CD 3.46Å; V389-R408 WeakPolarHBondContact O-CG 3.39Å; V389-R408 PolarHBondContact O-NE 2.91Å; V389-L412 HydrophobicContact CG1-CD1 4.07Å; V389-L412 HydrophobicContact CG1-CG 4.11Å
390A66.5Low64.7Low77 Ų7797.1 Ų97.164%0.63657%0.574SS**SBendtrans-60.1151.6171.900000111.8F387 P392F387-A390 PolarHBondContact O-N 3.18Å; A390-P392 WeakPolarHBondContact O-CD 3.5Å
391A69.4Low67.1Low36 Ų3697.1 Ų97.130%0.29856%0.558SS.*  trans-63.8126.8173.700000110.9Q393 R408A391-Q393 PolarHBondContact O-N 3.48Å; A391-R408 VanDerWaalsContact CB-NH1 3.29Å
392P73.9Confident69.2Low134 Ų13497.2 Ų97.287%0.8755%0.549SS*.SBendtrans-66.8-27.4168.226.5-32000111.3A390A390-P392 WeakPolarHBondContact O-CD 3.5Å
393Q77.2Confident71.3Confident150 Ų15098 Ų9870%0.70156%0.555SS**SBendtrans-152.5144.6-178.9-160.2169.114.800111.8A391 L395A391-Q393 PolarHBondContact O-N 3.48Å; Q393-L395 PolarHBondContact O-N 3.13Å
394F77.6Confident73.6Confident175 Ų17595.3 Ų95.377%0.76854%0.536SS*.  trans-78.4112169-99.1-93.7000109.9
395L82.1Confident75.5Confident60 Ų6096.1 Ų96.131%0.31454%0.535SS..  trans-69141.4177.9-65.9161.3000110.1Q393 N397 L400 R401Q393-L395 PolarHBondContact O-N 3.13Å; L395-N397 PolarHBondContact O-N 3.24Å; L395-L400 HydrophobicContact CB-CB 3.94Å; L395-L400 HydrophobicContact CD1-CB 3.88Å; L395-L400 HydrophobicContact CG-CB 4.4Å; L395-R401 HydrophobicContact CB-CG 4.1Å; L395-R401 VanDerWaalsContact O-CD 3.28Å; L395-R401 WeakPolarHBondContact O-CD 3.45Å; L395-R401 WeakPolarHBondContact O-CG 2.88Å; L395-R401 PolarHBondContact O-NH1 3.36Å
396P79.9Confident77.3Confident116 Ų11695.2 Ų95.275%0.75353%0.525SS*.SBendtrans-70-33.9-174.723.7-31.6000112.9R401P396-R401 PolarHBondContact O-NH1 3.45Å
397N84.5Confident79.1Confident80 Ų8092.6 Ų92.643%0.42852%0.521SS..SBendtrans-85.3137.9-178.8-168-7.5000111.9L395 S399 L400 R401L395-N397 PolarHBondContact O-N 3.24Å; N397-S399 PolarHBondContact ND2-OG 3.16Å; N397-S399 PolarHBondContact O-N 3.05Å; N397-S399 PolarHBondContact OD1-N 3.36Å; N397-S399 PolarHBondContact OD1-OG 3.32Å; N397-L400 HydrophobicContact CB-CB 4.2Å; N397-L400 HydrophobicContact CB-CD1 4Å; N397-L400 HydrophobicContact CB-CG 4.08Å; N397-L400 PolarHBondContact O-N 3.29Å; N397-R401 WeakPolarHBondContact O-CG 3.29Å; N397-R401 PolarHBondContact O-N 3.05Å
398S86.1Confident80.5Confident71 Ų7192 Ų9250%0.49752%0.517SS..Hα-helixtrans-62.3-39.9178.660.80000112.6R401 Q402S398-R401 PolarHBondContact O-N 3.3Å; S398-Q402 PolarHBondContact O-N 2.87Å
399S85.4Confident81.9Confident53 Ų5395.6 Ų95.637%0.37151%0.507SS..Hα-helixtrans-64.9-42.1179.461.30000111.8N397 Q402 L403N397-S399 PolarHBondContact ND2-OG 3.16Å; N397-S399 PolarHBondContact O-N 3.05Å; N397-S399 PolarHBondContact OD1-N 3.36Å; N397-S399 PolarHBondContact OD1-OG 3.32Å; S399-Q402 PolarHBondContact O-N 3.36Å; S399-L403 PolarHBondContact O-N 3.45Å
400L85Confident83.2Confident77 Ų7799.7 Ų99.740%0.40352%0.524SS..Hα-helixtrans-65.5-37.9175.4-69.5180000111.8L395 N397 S404L395-L400 HydrophobicContact CB-CB 3.94Å; L395-L400 HydrophobicContact CD1-CB 3.88Å; L395-L400 HydrophobicContact CG-CB 4.4Å; N397-L400 HydrophobicContact CB-CB 4.2Å; N397-L400 HydrophobicContact CB-CD1 4Å; N397-L400 HydrophobicContact CB-CG 4.08Å; N397-L400 PolarHBondContact O-N 3.29Å; L400-S404 VanDerWaalsContact O-CB 3.29Å; L400-S404 WeakPolarHBondContact O-CB 3.3Å; L400-S404 PolarHBondContact O-N 3.04Å
401R86.5Confident84.3Confident103 Ų10398.3 Ų98.339%0.38951%0.512SS..Hα-helixtrans-62.5-42.7172.5-72.2-169.8-68.5-105.95.7111.8L395 P396 N397 S398 S404 L405L395-R401 HydrophobicContact CB-CG 4.1Å; L395-R401 VanDerWaalsContact O-CD 3.28Å; L395-R401 WeakPolarHBondContact O-CD 3.45Å; L395-R401 WeakPolarHBondContact O-CG 2.88Å; L395-R401 PolarHBondContact O-NH1 3.36Å; P396-R401 PolarHBondContact O-NH1 3.45Å; N397-R401 WeakPolarHBondContact O-CG 3.29Å; N397-R401 PolarHBondContact O-N 3.05Å; S398-R401 PolarHBondContact O-N 3.3Å; R401-S404 PolarHBondContact O-N 3.33Å; R401-L405 WeakPolarHBondContact O-CB 3.49Å; R401-L405 PolarHBondContact O-N 3.37Å
402Q89.4Confident85.3Confident136 Ų136100.5 Ų100.564%0.63652%0.518SS*.Hα-helixtrans-64.6-45.7177.7-75.5-178.2-24.300112S398 S399 S404 L405 T406S398-Q402 PolarHBondContact O-N 2.87Å; S399-Q402 PolarHBondContact O-N 3.36Å; Q402-S404 VanDerWaalsContact C-N 3.32Å; Q402-S404 PolarHBondContact O-N 2.93Å; Q402-L405 WeakPolarHBondContact O-CB 3.5Å; Q402-L405 PolarHBondContact O-N 3.01Å; Q402-L405 VanDerWaalsContact O-N 3.12Å; Q402-T406 PolarHBondContact O-N 2.72Å; Q402-T406 PolarHBondContact O-OG1 2.77Å
403L84Confident86.1Confident112 Ų11298.5 Ų98.559%0.58650%0.5SS*.Hα-helixtrans-57.9-45175.3-83168.7000111.9S399 L405 T406 E407S399-L403 PolarHBondContact O-N 3.45Å; L403-L405 VanDerWaalsContact C-N 3.29Å; L403-L405 PolarHBondContact O-N 2.82Å; L403-T406 WeakPolarHBondContact CA-OG1 3.47Å; L403-T406 PolarHBondContact O-N 2.99Å; L403-T406 PolarHBondContact O-OG1 3.07Å; L403-E407 WeakPolarHBondContact O-CB 3.38Å; L403-E407 PolarHBondContact O-N 3.42Å
404S86.9Confident86.7Confident18 Ų1894.4 Ų94.413%0.12648%0.483CS..Hα-helixtrans-65.7-32.5177.7-164.80000112.7L400 R401 Q402 R408L400-S404 VanDerWaalsContact O-CB 3.29Å; L400-S404 WeakPolarHBondContact O-CB 3.3Å; L400-S404 PolarHBondContact O-N 3.04Å; R401-S404 PolarHBondContact O-N 3.33Å; Q402-S404 VanDerWaalsContact C-N 3.32Å; Q402-S404 PolarHBondContact O-N 2.93Å; S404-R408 WeakPolarHBondContact O-CB 3.5Å; S404-R408 VanDerWaalsContact O-CG 3.26Å; S404-R408 WeakPolarHBondContact O-CG 3.3Å; S404-R408 PolarHBondContact O-N 3.02Å; S404-R408 VanDerWaalsContact OG-CZ 3.25Å; S404-R408 PolarHBondContact OG-NH2 3.43Å
405L87.1Confident87.3Confident111 Ų11189.4 Ų89.458%0.58146%0.462SS*.Hα-helixtrans-71.4-42.8174.6-143173.7000111.1R401 Q402 L403 R408 R409R401-L405 WeakPolarHBondContact O-CB 3.49Å; R401-L405 PolarHBondContact O-N 3.37Å; Q402-L405 WeakPolarHBondContact O-CB 3.5Å; Q402-L405 PolarHBondContact O-N 3.01Å; Q402-L405 VanDerWaalsContact O-N 3.12Å; L403-L405 VanDerWaalsContact C-N 3.29Å; L403-L405 PolarHBondContact O-N 2.82Å; L405-R408 PolarHBondContact O-N 3.45Å; L405-R409 WeakPolarHBondContact O-CB 3.35Å; L405-R409 PolarHBondContact O-N 2.63Å
406T89.9Confident87.7Confident85 Ų8589.1 Ų89.152%0.52147%0.468SS..Hα-helixtrans-64.6-43177.3480000111.9Q402 L403 R408 R409 E410Q402-T406 PolarHBondContact O-N 2.72Å; Q402-T406 PolarHBondContact O-OG1 2.77Å; L403-T406 WeakPolarHBondContact CA-OG1 3.47Å; L403-T406 PolarHBondContact O-N 2.99Å; L403-T406 PolarHBondContact O-OG1 3.07Å; T406-R408 PolarHBondContact O-N 3.28Å; T406-R409 PolarHBondContact O-N 3.33Å; T406-E410 PolarHBondContact O-N 3.44Å
407E89.4Confident88.3Confident134 Ų13490.8 Ų90.863%0.62646%0.459SS*.Hα-helixtrans-60.8-45.1176.7-176.4-177.8-169.900111.5L403 R409 E410 A411L403-E407 WeakPolarHBondContact O-CB 3.38Å; L403-E407 PolarHBondContact O-N 3.42Å; E407-R409 PolarHBondContact O-N 2.99Å; E407-E410 PolarHBondContact O-N 3.09Å; E407-A411 PolarHBondContact O-N 3.4Å
408R86Confident88.6Confident60 Ų6093.1 Ų93.123%0.22647%0.468CS..Hα-helixtrans-63.7-39.7175.2-76.2173.5-168.1127.124.7113.1V389 A391 S404 L405 T406 E410 A411 L412V389-R408 HydrophobicContact CG1-CB 3.8Å; V389-R408 HydrophobicContact CG1-CG 3.93Å; V389-R408 WeakPolarHBondContact O-CD 3.46Å; V389-R408 WeakPolarHBondContact O-CG 3.39Å; V389-R408 PolarHBondContact O-NE 2.91Å; A391-R408 VanDerWaalsContact CB-NH1 3.29Å; S404-R408 WeakPolarHBondContact O-CB 3.5Å; S404-R408 VanDerWaalsContact O-CG 3.26Å; S404-R408 WeakPolarHBondContact O-CG 3.3Å; S404-R408 PolarHBondContact O-N 3.02Å; S404-R408 VanDerWaalsContact OG-CZ 3.25Å; S404-R408 PolarHBondContact OG-NH2 3.43Å; L405-R408 PolarHBondContact O-N 3.45Å; T406-R408 PolarHBondContact O-N 3.28Å; R408-E410 VanDerWaalsContact C-N 3.28Å; R408-E410 PolarHBondContact O-N 3.5Å; R408-A411 PolarHBondContact O-N 3.31Å; R408-L412 WeakPolarHBondContact O-CB 3.3Å; R408-L412 PolarHBondContact O-N 3.3Å
409R89.3Confident88.7Confident183 Ų18393.6 Ų93.669%0.69146%0.464SS*.Hα-helixtrans-63.2-39.6177.1-169.9176.5-179.4163.10.4110.6L405 T406 E407 L413L405-R409 WeakPolarHBondContact O-CB 3.35Å; L405-R409 PolarHBondContact O-N 2.63Å; T406-R409 PolarHBondContact O-N 3.33Å; E407-R409 PolarHBondContact O-N 2.99Å; R409-L413 HydrophobicContact CG-CD1 4.47Å; R409-L413 WeakPolarHBondContact O-CB 3.17Å; R409-L413 PolarHBondContact O-N 2.8Å
410E92.1Very high89Confident123 Ų12398.1 Ų98.158%0.57547%0.474SS*.Hα-helixtrans-67-43.7174.8-173173.3-172.400112.2T406 E407 R408 L412 L413 N414T406-E410 PolarHBondContact O-N 3.44Å; E407-E410 PolarHBondContact O-N 3.09Å; R408-E410 VanDerWaalsContact C-N 3.28Å; R408-E410 PolarHBondContact O-N 3.5Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.01Å; E410-L413 PolarHBondContact O-N 2.77Å; E410-N414 WeakPolarHBondContact O-CB 3.38Å; E410-N414 PolarHBondContact O-N 2.97Å
411A89.4Confident89.2Confident48 Ų48103 Ų10340%0.39749%0.487SS..Hα-helixtrans-59.3-43.3174.900000112.1E407 R408 N414 H415E407-A411 PolarHBondContact O-N 3.4Å; R408-A411 PolarHBondContact O-N 3.31Å; A411-N414 PolarHBondContact O-N 2.94Å; A411-H415 WeakPolarHBondContact O-CB 3.35Å; A411-H415 PolarHBondContact O-N 3.37Å
412L89.8Confident89.4Confident82 Ų82100.9 Ų100.943%0.42949%0.488SS..Hα-helixtrans-61.9-44174.8-103.7160.9000112.3V389 R408 E410 H415 A416V389-L412 HydrophobicContact CG1-CD1 4.07Å; V389-L412 HydrophobicContact CG1-CG 4.11Å; R408-L412 WeakPolarHBondContact O-CB 3.3Å; R408-L412 PolarHBondContact O-N 3.3Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.01Å; L412-H415 PolarHBondContact O-N 3.41Å; L412-A416 WeakPolarHBondContact O-CB 3.49Å; L412-A416 PolarHBondContact O-N 2.86Å
413L90.9Very high89.2Confident91 Ų91103 Ų10348%0.47649%0.49SS..Hα-helixtrans-62.8-41.6176.2-89160.3000111.9R409 E410 A416 R417R409-L413 HydrophobicContact CG-CD1 4.47Å; R409-L413 WeakPolarHBondContact O-CB 3.17Å; R409-L413 PolarHBondContact O-N 2.8Å; E410-L413 PolarHBondContact O-N 2.77Å; L413-A416 PolarHBondContact O-N 3.17Å; L413-R417 WeakPolarHBondContact O-CG 3.47Å; L413-R417 PolarHBondContact O-N 3.34Å
414N90.4Very high89.2Confident64 Ų64103 Ų10334%0.34249%0.487SS..Hα-helixtrans-67.7-40.6177.9-75.7-24.7000112E410 A411 R417 Q418E410-N414 WeakPolarHBondContact O-CB 3.38Å; E410-N414 PolarHBondContact O-N 2.97Å; A411-N414 PolarHBondContact O-N 2.94Å; N414-R417 PolarHBondContact O-N 3.14Å; N414-R417 PolarHBondContact OD1-NH1 3.1Å; N414-Q418 WeakPolarHBondContact O-CG 3.42Å; N414-Q418 PolarHBondContact O-N 3.22Å
415H89.9Confident89.1Confident71 Ų71109.6 Ų109.633%0.32952%0.516SS..Hα-helixtrans-62.9-43.2173.6-174.4-102.5000111.8F387 A411 L412 R417 Q418 L419F387-H415 AromaticContact CE1-CE1 3.54Å; F387-H415 AromaticContact CE1-ND1 3.63Å; A411-H415 WeakPolarHBondContact O-CB 3.35Å; A411-H415 PolarHBondContact O-N 3.37Å; L412-H415 PolarHBondContact O-N 3.41Å; H415-R417 VanDerWaalsContact C-N 3.34Å; H415-R417 PolarHBondContact O-N 3.49Å; H415-Q418 PolarHBondContact O-N 2.98Å; H415-L419 WeakPolarHBondContact O-CG 3.39Å; H415-L419 PolarHBondContact O-N 3.44Å
416A90.2Very high88.7Confident54 Ų54113 Ų11345%0.44653%0.526SS..Hα-helixtrans-61.5-39.8175.300000112.5L412 L413 L419 Y420L412-A416 WeakPolarHBondContact O-CB 3.49Å; L412-A416 PolarHBondContact O-N 2.86Å; L413-A416 PolarHBondContact O-N 3.17Å; A416-L419 PolarHBondContact O-N 3.48Å; A416-Y420 PolarHBondContact O-N 2.67Å
417R92.8Very high87.9Confident151 Ų151114.4 Ų114.457%0.5754%0.539SS*.Hα-helixtrans-63.1-40.4174-75.6172.5178.8163.2-3.2112.3L413 N414 H415 Y420 R421L413-R417 WeakPolarHBondContact O-CG 3.47Å; L413-R417 PolarHBondContact O-N 3.34Å; N414-R417 PolarHBondContact O-N 3.14Å; N414-R417 PolarHBondContact OD1-NH1 3.1Å; H415-R417 VanDerWaalsContact C-N 3.34Å; H415-R417 PolarHBondContact O-N 3.49Å; R417-Y420 PolarHBondContact O-N 3.1Å; R417-R421 WeakPolarHBondContact O-CG 3.48Å; R417-R421 PolarHBondContact O-N 3.49Å
418Q91.3Very high86.6Confident129 Ų129114.5 Ų114.560%0.60356%0.563SS**Hα-helixtrans-63.8-44.9176.4-73.6175-11.400111.3N414 H415 Y420 R421 S422N414-Q418 WeakPolarHBondContact O-CG 3.42Å; N414-Q418 PolarHBondContact O-N 3.22Å; H415-Q418 PolarHBondContact O-N 2.98Å; Q418-Y420 VanDerWaalsContact C-N 3.29Å; Q418-Y420 PolarHBondContact O-N 3.39Å; Q418-R421 PolarHBondContact O-N 3.25Å; Q418-S422 PolarHBondContact O-N 3.29Å; Q418-S422 PolarHBondContact O-OG 2.59Å
419L88.1Confident86.6Confident80 Ų80117.2 Ų117.242%0.41958%0.58SS.*Hα-helixtrans-60.8-37.6175.2-70.7177.3000112.7H415 A416 S422 R423H415-L419 WeakPolarHBondContact O-CG 3.39Å; H415-L419 PolarHBondContact O-N 3.44Å; A416-L419 PolarHBondContact O-N 3.48Å; L419-S422 WeakPolarHBondContact CA-OG 3.27Å; L419-S422 PolarHBondContact O-OG 3.2Å; L419-R423 WeakPolarHBondContact O-CB 3.39Å; L419-R423 WeakPolarHBondContact O-CG 3.4Å; L419-R423 PolarHBondContact O-N 3.14Å
420Y91.2Very high86.5Confident148 Ų148113.7 Ų113.758%0.5857%0.574SS**Hα-helixtrans-64.7-44.9175.7-176.4-98.2000111.6A416 R417 Q418 R423 Q424A416-Y420 PolarHBondContact O-N 2.67Å; R417-Y420 PolarHBondContact O-N 3.1Å; Q418-Y420 VanDerWaalsContact C-N 3.29Å; Q418-Y420 PolarHBondContact O-N 3.39Å; Y420-R423 PolarHBondContact O-N 3.19Å; Y420-Q424 HydrophobicContact CD1-CG 4.38Å; Y420-Q424 HydrophobicContact CE1-CG 3.99Å; Y420-Q424 WeakPolarHBondContact O-CG 3.39Å; Y420-Q424 PolarHBondContact O-N 2.88Å; Y420-Q424 PolarHBondContact OH-NE2 2.81Å
421R89.7Confident86.1Confident180 Ų180113.2 Ų113.268%0.67957%0.574SS**Hα-helixtrans-64.1-41.9176.6-71.7178.8179.3177.2-0.2112.3R417 Q418 R423 Q424 Q425R417-R421 WeakPolarHBondContact O-CG 3.48Å; R417-R421 PolarHBondContact O-N 3.49Å; Q418-R421 PolarHBondContact O-N 3.25Å; R421-R423 VanDerWaalsContact C-N 3.31Å; R421-R423 PolarHBondContact O-N 3.37Å; R421-Q424 PolarHBondContact O-N 3.01Å; R421-Q425 PolarHBondContact O-N 3.06Å
422S88.7Confident86Confident58 Ų58117.1 Ų117.141%0.40658%0.584SS.*Hα-helixtrans-67.1-32.1177.666.50000112.3Q418 L419 K426Q418-S422 PolarHBondContact O-N 3.29Å; Q418-S422 PolarHBondContact O-OG 2.59Å; L419-S422 WeakPolarHBondContact CA-OG 3.27Å; L419-S422 PolarHBondContact O-OG 3.2Å; S422-K426 PolarHBondContact O-N 2.84Å
423R86.4Confident85.7Confident180 Ų180119.3 Ų119.368%0.67959%0.594SS**Hα-helixtrans-68.2-42.7172.6-77.3-178.6-179.1-171.60.4111.9L419 Y420 R421 Q425 K426 S427L419-R423 WeakPolarHBondContact O-CB 3.39Å; L419-R423 WeakPolarHBondContact O-CG 3.4Å; L419-R423 PolarHBondContact O-N 3.14Å; Y420-R423 PolarHBondContact O-N 3.19Å; R421-R423 VanDerWaalsContact C-N 3.31Å; R421-R423 PolarHBondContact O-N 3.37Å; R423-Q425 VanDerWaalsContact C-N 3.34Å; R423-Q425 PolarHBondContact O-N 2.66Å; R423-K426 PolarHBondContact O-N 3.16Å; R423-K426 VanDerWaalsContact O-N 3.13Å; R423-S427 PolarHBondContact O-N 3.3Å; R423-S427 VanDerWaalsContact O-N 3.16Å; R423-S427 PolarHBondContact O-OG 2.75Å
424Q83.7Confident85.4Confident114 Ų114121.1 Ų121.153%0.53360%0.602SS.*Hα-helixtrans-60.4-42.3175.9-73.9-112.6-20.400112.1Y420 R421 K426 S427 A428Y420-Q424 HydrophobicContact CD1-CG 4.38Å; Y420-Q424 HydrophobicContact CE1-CG 3.99Å; Y420-Q424 WeakPolarHBondContact O-CG 3.39Å; Y420-Q424 PolarHBondContact O-N 2.88Å; Y420-Q424 PolarHBondContact OH-NE2 2.81Å; R421-Q424 PolarHBondContact O-N 3.01Å; Q424-K426 VanDerWaalsContact C-N 3.26Å; Q424-K426 PolarHBondContact O-N 3.46Å; Q424-S427 PolarHBondContact O-N 3.04Å; Q424-A428 PolarHBondContact O-N 2.83Å
425Q84Confident85Confident156 Ų156125.2 Ų125.273%0.72962%0.62SS**Hα-helixtrans-68.5-20.7176-74.7-179.7-26.600114.2R421 R423R421-Q425 PolarHBondContact O-N 3.06Å; R423-Q425 VanDerWaalsContact C-N 3.34Å; R423-Q425 PolarHBondContact O-N 2.66Å
426K80.6Confident84.6Confident182 Ų182129.4 Ų129.479%0.79164%0.643SS**Hα-helixtrans-91-11.1177.8-147.7176.8-174.1-176.50112.7S422 R423 Q424S422-K426 PolarHBondContact O-N 2.84Å; R423-K426 PolarHBondContact O-N 3.16Å; R423-K426 VanDerWaalsContact O-N 3.13Å; Q424-K426 VanDerWaalsContact C-N 3.26Å; Q424-K426 PolarHBondContact O-N 3.46Å
427S73.2Confident84.2Confident114 Ų114135.7 Ų135.780%0.79766%0.659SS**Hα-helixtrans-104.5-4.7176.3-63.60000113.5R423 Q424R423-S427 PolarHBondContact O-N 3.3Å; R423-S427 VanDerWaalsContact O-N 3.16Å; R423-S427 PolarHBondContact O-OG 2.75Å; Q424-S427 PolarHBondContact O-N 3.04Å
428A60.5Low83.4Confident136 Ų136134.3 Ų134.3100%1.12467%0.667SS**  trans-100.20164.600000108.7Q424Q424-A428 PolarHBondContact O-N 2.83Å

Retrieved 428 of 428 residues in 881.3 ms (Link to these results)

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