A0A5K4F3Z5_SCHMA Loading...

JmjC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3Z5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 397 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.3Very low83.8Confident242 Ų242110.8 Ų110.8100%1.19252%0.515SS*.  0132.90-60.1-180-166.400109.3
2S56.7Low84.8Confident117 Ų117108.8 Ų108.882%0.81850%0.499SS*.  trans-63.7143.9175.4-175.40000111.5R4S2-R4 PolarHBondContact O-N 3.18Å
3K68.6Low85.6Confident204 Ų204104.5 Ų104.589%0.88749%0.49SS*.  trans-70.6102.8176.7-79.1-179.3178.7171.50109.3S5K3-S5 PolarHBondContact O-N 2.96Å
4R79.4Confident86.5Confident112 Ų11297.4 Ų97.442%0.42346%0.458SS..  trans-42.6135.1176.7-70.2-161.6-166.2-172.17.5112.6S2 E8 R9S2-R4 PolarHBondContact O-N 3.18Å; R4-E8 WeakPolarHBondContact CA-OE2 3.34Å; R4-E8 HydrophobicContact CB-CB 4.24Å; R4-E8 WeakPolarHBondContact CB-OE2 3.49Å; R4-E8 WeakPolarHBondContact CG-OE2 3.33Å; R4-R9 HydrophobicContact CB-CG 3.97Å; R4-R9 PolarHBondContact O-NE 3.36Å
5S92Very high87.2Confident40 Ų4093 Ų9328%0.2844%0.436SS..  trans-59.8160.9-174.2750000112K3 Y7 E8 R9K3-S5 PolarHBondContact O-N 2.96Å; S5-Y7 PolarHBondContact O-N 3.03Å; S5-Y7 VanDerWaalsContact O-N 3.14Å; S5-Y7 PolarHBondContact OG-N 2.72Å; S5-E8 WeakPolarHBondContact CB-OE1 3.37Å; S5-E8 VanDerWaalsContact N-CD 3.33Å; S5-E8 PolarHBondContact N-OE1 3.34Å; S5-E8 VanDerWaalsContact N-OE1 3.15Å; S5-E8 PolarHBondContact N-OE2 3.46Å; S5-E8 VanDerWaalsContact N-OE2 3.09Å; S5-E8 PolarHBondContact O-N 3.31Å; S5-E8 VanDerWaalsContact OG-CD 3.25Å; S5-E8 PolarHBondContact OG-N 3.01Å; S5-E8 PolarHBondContact OG-OE1 2.8Å; S5-R9 PolarHBondContact O-N 3.41Å; S5-R9 VanDerWaalsContact O-N 3.12Å
6K95Very high87.8Confident122 Ų12291.6 Ų91.653%0.5343%0.432SS..THydrogen-bonded Turntrans-59.3-24.7175.1-172.5173.1-178.4169.50112.1R10K6-R10 WeakPolarHBondContact O-CG 3.38Å
7Y96.5Very high88.3Confident25 Ų2591.7 Ų91.710%0.09843%0.427CS..THydrogen-bonded Turntrans-74.9-57.5175.5160.1-109.9000111.3S5 R9 R10 I11 Y119 R122 Y123 E126S5-Y7 PolarHBondContact O-N 3.03Å; S5-Y7 VanDerWaalsContact O-N 3.14Å; S5-Y7 PolarHBondContact OG-N 2.72Å; Y7-R9 VanDerWaalsContact C-N 3.27Å; Y7-R9 PolarHBondContact O-N 3.41Å; Y7-R10 WeakPolarHBondContact O-CA 3.48Å; Y7-R10 PolarHBondContact O-N 3.34Å; Y7-I11 HydrophobicContact CD2-CD1 4.26Å; Y7-I11 HydrophobicContact CD2-CG1 3.75Å; Y7-I11 HydrophobicContact CE2-CD1 3.78Å; Y7-I11 HydrophobicContact CE2-CG1 3.33Å; Y7-I11 PolarHBondContact O-N 2.62Å; Y7-Y119 AromaticContact CD2-CD1 3.93Å; Y7-Y119 HydrophobicContact CD2-CD1 3.93Å; Y7-Y119 HydrophobicContact CD2-CG 4.47Å; Y7-R122 HydrophobicContact CD2-CB 4.41Å; Y7-R122 HydrophobicContact CD2-CG 4.35Å; Y7-R122 HydrophobicContact CE1-CG 4.17Å; Y7-R122 VanDerWaalsContact CE1-NE 3.32Å; Y7-R122 HydrophobicContact CE2-CB 3.83Å; Y7-R122 HydrophobicContact CE2-CG 3.78Å; Y7-Y123 VanDerWaalsContact OH-CA 3.3Å; Y7-Y123 WeakPolarHBondContact OH-CA 3.41Å; Y7-Y123 PolarHBondContact OH-N 3.47Å; Y7-E126 WeakPolarHBondContact CE1-OE2 3.43Å; Y7-E126 PolarHBondContact OH-OE2 2.79Å
8E94.9Very high88.8Confident79 Ų7987.3 Ų87.337%0.36941%0.409SS..Hα-helixtrans-52-45.3178.7-72.2144.3-11600112.1R4 S5 R10 I11 R12R4-E8 WeakPolarHBondContact CA-OE2 3.34Å; R4-E8 HydrophobicContact CB-CB 4.24Å; R4-E8 WeakPolarHBondContact CB-OE2 3.49Å; R4-E8 WeakPolarHBondContact CG-OE2 3.33Å; S5-E8 WeakPolarHBondContact CB-OE1 3.37Å; S5-E8 VanDerWaalsContact N-CD 3.33Å; S5-E8 PolarHBondContact N-OE1 3.34Å; S5-E8 VanDerWaalsContact N-OE1 3.15Å; S5-E8 PolarHBondContact N-OE2 3.46Å; S5-E8 VanDerWaalsContact N-OE2 3.09Å; S5-E8 PolarHBondContact O-N 3.31Å; S5-E8 VanDerWaalsContact OG-CD 3.25Å; S5-E8 PolarHBondContact OG-N 3.01Å; S5-E8 PolarHBondContact OG-OE1 2.8Å; E8-R10 PolarHBondContact O-N 3.35Å; E8-I11 PolarHBondContact O-N 3.31Å; E8-R12 VanDerWaalsContact O-CB 3.29Å; E8-R12 WeakPolarHBondContact O-CB 3.42Å; E8-R12 PolarHBondContact O-N 3.42Å
9R95.5Very high89.1Confident137 Ų13784.2 Ų84.252%0.51739%0.393SS..Hα-helixtrans-62.5-28.7178.6-70.3-171.6-69.3136.7-6.7113.1R4 S5 Y7 S13R4-R9 HydrophobicContact CB-CG 3.97Å; R4-R9 PolarHBondContact O-NE 3.36Å; S5-R9 PolarHBondContact O-N 3.41Å; S5-R9 VanDerWaalsContact O-N 3.12Å; Y7-R9 VanDerWaalsContact C-N 3.27Å; Y7-R9 PolarHBondContact O-N 3.41Å; R9-S13 VanDerWaalsContact O-CB 3.22Å; R9-S13 WeakPolarHBondContact O-CB 3.15Å; R9-S13 PolarHBondContact O-N 3.21Å
10R97.2Very high89.4Confident127 Ų12782.1 Ų82.148%0.47939%0.388SS..Hα-helixtrans-83.3-39.4177.6-68-68.4177-134.72.1111.8K6 Y7 E8 A14 L115 Y119K6-R10 WeakPolarHBondContact O-CG 3.38Å; Y7-R10 WeakPolarHBondContact O-CA 3.48Å; Y7-R10 PolarHBondContact O-N 3.34Å; E8-R10 PolarHBondContact O-N 3.35Å; R10-A14 WeakPolarHBondContact O-CB 3.45Å; R10-A14 PolarHBondContact O-N 3.3Å; R10-L115 HydrophobicContact CB-CD2 4.31Å; R10-Y119 HydrophobicContact CB-CD2 4.15Å; R10-Y119 HydrophobicContact CB-CE2 4.3Å; R10-Y119 HydrophobicContact CG-CD2 4.35Å; R10-Y119 HydrophobicContact CG-CE2 4Å
11I97Very high89.7Confident14 Ų1482.2 Ų82.27%0.07239%0.389CS..Hα-helixtrans-64.7-50.2173.4-59.5-51.7000110.7Y7 E8 S13 A14 K15 L115 Y123Y7-I11 HydrophobicContact CD2-CD1 4.26Å; Y7-I11 HydrophobicContact CD2-CG1 3.75Å; Y7-I11 HydrophobicContact CE2-CD1 3.78Å; Y7-I11 HydrophobicContact CE2-CG1 3.33Å; Y7-I11 PolarHBondContact O-N 2.62Å; E8-I11 PolarHBondContact O-N 3.31Å; I11-S13 VanDerWaalsContact C-N 3.3Å; I11-S13 PolarHBondContact O-N 3.44Å; I11-A14 PolarHBondContact O-N 3.11Å; I11-K15 HydrophobicContact CG2-CD 4.21Å; I11-K15 HydrophobicContact CG2-CG 4.26Å; I11-K15 WeakPolarHBondContact O-CB 3.32Å; I11-K15 WeakPolarHBondContact O-CG 3.4Å; I11-K15 PolarHBondContact O-N 3.16Å; I11-L115 HydrophobicContact CD1-CD1 3.66Å; I11-L115 HydrophobicContact CD1-CD2 4.05Å; I11-Y123 HydrophobicContact CD1-CG 4.31Å; I11-Y123 HydrophobicContact CG2-CD2 3.81Å; I11-Y123 HydrophobicContact CG2-CE2 4.18Å
12R95.4Very high91.8Very high87 Ų8771 Ų7133%0.32833%0.333SS..Hα-helixtrans-54.5-45.6176.6-167-172.6-156.8-171.96112.3E8 A14 K15 L16 D24E8-R12 VanDerWaalsContact O-CB 3.29Å; E8-R12 WeakPolarHBondContact O-CB 3.42Å; E8-R12 PolarHBondContact O-N 3.42Å; R12-A14 VanDerWaalsContact C-N 3.34Å; R12-A14 PolarHBondContact O-N 3.38Å; R12-K15 PolarHBondContact O-N 2.99Å; R12-L16 WeakPolarHBondContact O-CB 3.26Å; R12-L16 PolarHBondContact O-N 3.35Å; R12-D24 IonicContact CZ-OD1 2.89Å; R12-D24 IonicContact CZ-OD2 2.74Å; R12-D24 IonicContact NE-OD1 3.08Å; R12-D24 PolarHBondContact NE-OD1 2.79Å; R12-D24 IonicContact NE-OD2 2.98Å; R12-D24 IonicContact NH1-OD2 3.69Å; R12-D24 PolarHBondContact NH2-O 3.28Å; R12-D24 VanDerWaalsContact NH2-O 3.11Å; R12-D24 IonicContact NH2-OD1 3.91Å; R12-D24 PolarHBondContact NH2-OD1 2.78Å; R12-D24 VanDerWaalsContact NH2-OD1 3.09Å; R12-D24 IonicContact NH2-OD2 3.7Å; R12-D24 PolarHBondContact NH2-OD2 2.85Å
13S95.9Very high93.3Very high53 Ų5366.6 Ų66.637%0.37131%0.307SS..Hα-helixtrans-68.2-30.1178.2175.10000113.4R9 I11 R17R9-S13 VanDerWaalsContact O-CB 3.22Å; R9-S13 WeakPolarHBondContact O-CB 3.15Å; R9-S13 PolarHBondContact O-N 3.21Å; I11-S13 VanDerWaalsContact C-N 3.3Å; I11-S13 PolarHBondContact O-N 3.44Å; S13-R17 WeakPolarHBondContact O-CB 3.37Å; S13-R17 VanDerWaalsContact O-CG 3.3Å; S13-R17 WeakPolarHBondContact O-CG 3.45Å; S13-R17 PolarHBondContact O-N 2.92Å
14A97.6Very high94Very high5 Ų560.5 Ų60.54%0.04128%0.284CS..Hα-helixtrans-74.8-46.5173.500000111.1R10 I11 R12 R17 A18 V113 L115 L133R10-A14 WeakPolarHBondContact O-CB 3.45Å; R10-A14 PolarHBondContact O-N 3.3Å; I11-A14 PolarHBondContact O-N 3.11Å; R12-A14 VanDerWaalsContact C-N 3.34Å; R12-A14 PolarHBondContact O-N 3.38Å; A14-R17 PolarHBondContact O-N 2.73Å; A14-A18 VanDerWaalsContact O-CB 3.26Å; A14-A18 WeakPolarHBondContact O-CB 3Å; A14-A18 PolarHBondContact O-N 2.72Å; A14-V113 HydrophobicContact CB-CG1 3.9Å; A14-L115 HydrophobicContact CB-CD1 3.85Å; A14-L115 HydrophobicContact CB-CD2 3.77Å; A14-L115 HydrophobicContact CB-CG 3.72Å; A14-L133 HydrophobicContact CB-CD1 4.1Å
15K97.2Very high94.5Very high31 Ų3158.1 Ų58.114%0.13528%0.284CS..Hα-helixtrans-50.8-62.6173.4-81.1-169.5165-163.50111.9I11 R12 R17 A18 R19 W29 D129 L133I11-K15 HydrophobicContact CG2-CD 4.21Å; I11-K15 HydrophobicContact CG2-CG 4.26Å; I11-K15 WeakPolarHBondContact O-CB 3.32Å; I11-K15 WeakPolarHBondContact O-CG 3.4Å; I11-K15 PolarHBondContact O-N 3.16Å; R12-K15 PolarHBondContact O-N 2.99Å; K15-R17 PolarHBondContact O-N 3.3Å; K15-R17 VanDerWaalsContact O-N 3.15Å; K15-A18 PolarHBondContact O-N 3.12Å; K15-R19 PolarHBondContact O-N 3.4Å; K15-W29 VanDerWaalsContact CA-CZ2 3.49Å; K15-W29 HydrophobicContact CB-CD2 4.44Å; K15-W29 HydrophobicContact CB-CH2 3.78Å; K15-W29 HydrophobicContact CB-CZ2 3.33Å; K15-W29 HydrophobicContact CB-CZ3 4.48Å; K15-W29 HydrophobicContact CD-CD2 3.63Å; K15-W29 HydrophobicContact CD-CE3 3.92Å; K15-W29 HydrophobicContact CD-CG 4.1Å; K15-W29 HydrophobicContact CD-CH2 4.35Å; K15-W29 HydrophobicContact CD-CZ2 4.09Å; K15-W29 HydrophobicContact CD-CZ3 4.26Å; K15-W29 HydrophobicContact CG-CD2 4.06Å; K15-W29 HydrophobicContact CG-CE3 4.08Å; K15-W29 HydrophobicContact CG-CH2 3.68Å; K15-W29 HydrophobicContact CG-CZ2 3.64Å; K15-W29 HydrophobicContact CG-CZ3 3.89Å; K15-W29 WeakPolarHBondContact O-CZ2 3.44Å; K15-D129 WeakPolarHBondContact CE-OD2 3.24Å; K15-D129 IonicContact NZ-OD1 2.83Å; K15-D129 PolarHBondContact NZ-OD1 3.38Å; K15-D129 IonicContact NZ-OD2 3.85Å; K15-D129 PolarHBondContact NZ-OD2 3.22Å; K15-L133 HydrophobicContact CG-CD1 3.95Å; K15-L133 HydrophobicContact CG-CG 4.35Å
16L96.1Very high94.3Very high71 Ų7159.6 Ų59.637%0.37229%0.293SS..Hα-helixtrans-58.9-30.6-177.8-179.262.8000113.1R12 S20 D24R12-L16 WeakPolarHBondContact O-CB 3.26Å; R12-L16 PolarHBondContact O-N 3.35Å; L16-S20 VanDerWaalsContact O-CA 3.27Å; L16-S20 WeakPolarHBondContact O-CA 3.41Å; L16-S20 PolarHBondContact O-N 3.34Å; L16-D24 HydrophobicContact CD1-CB 4.45Å
17R96.8Very high94.2Very high93 Ų9358.7 Ų58.735%0.35129%0.29SS..Hα-helixtrans-80.2-35.9175.5-76.9-177.760.9-140.9-6.4113.3S13 A14 K15 D107 S112 V113S13-R17 WeakPolarHBondContact O-CB 3.37Å; S13-R17 VanDerWaalsContact O-CG 3.3Å; S13-R17 WeakPolarHBondContact O-CG 3.45Å; S13-R17 PolarHBondContact O-N 2.92Å; A14-R17 PolarHBondContact O-N 2.73Å; K15-R17 PolarHBondContact O-N 3.3Å; K15-R17 VanDerWaalsContact O-N 3.15Å; R17-D107 HydrophobicContact CB-CB 4.33Å; R17-D107 IonicContact CZ-OD2 2.71Å; R17-D107 IonicContact NE-OD2 3.1Å; R17-D107 PolarHBondContact NE-OD2 2.88Å; R17-D107 IonicContact NH2-OD2 3.3Å; R17-D107 PolarHBondContact NH2-OD2 2.98Å; R17-D107 WeakPolarHBondContact O-CA 3.5Å; R17-D107 WeakPolarHBondContact O-CB 3.34Å; R17-S112 PolarHBondContact NH2-O 3.25Å; R17-V113 HydrophobicContact CB-CG1 4.29Å; R17-V113 HydrophobicContact CB-CG2 3.65Å
18A96.8Very high94Very high12 Ų1259 Ų5910%0.09930%0.297CS..Hα-helixtrans-81.9-25.5-175.300000113.2A14 K15 E106 V113 L133A14-A18 VanDerWaalsContact O-CB 3.26Å; A14-A18 WeakPolarHBondContact O-CB 3Å; A14-A18 PolarHBondContact O-N 2.72Å; K15-A18 PolarHBondContact O-N 3.12Å; A18-E106 WeakPolarHBondContact CA-O 3.26Å; A18-V113 HydrophobicContact CB-CB 4.33Å; A18-V113 HydrophobicContact CB-CG1 4.32Å; A18-V113 HydrophobicContact CB-CG2 4.19Å; A18-L133 HydrophobicContact CB-CD2 3.82Å
19R95.8Very high94.1Very high29 Ų2955.7 Ų55.711%0.10928%0.281CS..  trans-143.369.9-179.5-58.3-67.9-56.3-69.1-19.5109K15 E21 L22 W29 K230 N231 E234K15-R19 PolarHBondContact O-N 3.4Å; R19-E21 WeakPolarHBondContact CA-OE2 3.48Å; R19-E21 IonicContact CZ-OE1 3.6Å; R19-E21 IonicContact NE-OE1 2.8Å; R19-E21 PolarHBondContact NE-OE1 3.09Å; R19-E21 IonicContact NE-OE2 3.77Å; R19-E21 IonicContact NH2-OE1 3.86Å; R19-E21 PolarHBondContact NH2-OE1 3.41Å; R19-E21 PolarHBondContact O-N 3.31Å; R19-L22 HydrophobicContact CB-CB 4.37Å; R19-L22 HydrophobicContact CB-CD1 3.79Å; R19-L22 HydrophobicContact CB-CG 3.92Å; R19-L22 HydrophobicContact CG-CD1 4.21Å; R19-L22 PolarHBondContact O-N 3.49Å; R19-W29 HydrophobicContact CB-CH2 3.73Å; R19-W29 HydrophobicContact CB-CZ2 3.74Å; R19-W29 HydrophobicContact CG-CH2 3.64Å; R19-W29 HydrophobicContact CG-CZ2 4.19Å; R19-W29 HydrophobicContact CG-CZ3 4.4Å; R19-K230 PolarHBondContact NH2-O 3.38Å; R19-N231 PolarHBondContact NH1-OD1 3.05Å; R19-N231 PolarHBondContact NH2-OD1 2.85Å; R19-N231 VanDerWaalsContact NH2-OD1 3.15Å; R19-E234 IonicContact CZ-OE1 2.75Å; R19-E234 VanDerWaalsContact CZ-OE1 3.3Å; R19-E234 IonicContact NE-OE1 3.7Å; R19-E234 VanDerWaalsContact NH1-CD 3.28Å; R19-E234 IonicContact NH1-OE1 3.17Å; R19-E234 PolarHBondContact NH1-OE1 2.75Å; R19-E234 IonicContact NH1-OE2 3.63Å
20S95.2Very high94.1Very high42 Ų4253.1 Ų53.129%0.29427%0.271SS..G310 helixtrans-59.2-31.2-176.563.10000112.4L16 L22 G23 D108L16-S20 VanDerWaalsContact O-CA 3.27Å; L16-S20 WeakPolarHBondContact O-CA 3.41Å; L16-S20 PolarHBondContact O-N 3.34Å; S20-L22 VanDerWaalsContact C-N 3.3Å; S20-L22 PolarHBondContact O-N 2.93Å; S20-G23 PolarHBondContact O-N 3.34Å; S20-D108 WeakPolarHBondContact CB-OD1 3.4Å; S20-D108 PolarHBondContact OG-OD1 3.3Å; S20-D108 PolarHBondContact OG-OD2 3.28Å
21E94.5Very high93.9Very high85 Ų8550 Ų5040%0.39727%0.269SS..G310 helixtrans-68.8-25.7179.680.6-75-166.700113R19 G23 K230R19-E21 WeakPolarHBondContact CA-OE2 3.48Å; R19-E21 IonicContact CZ-OE1 3.6Å; R19-E21 IonicContact NE-OE1 2.8Å; R19-E21 PolarHBondContact NE-OE1 3.09Å; R19-E21 IonicContact NE-OE2 3.77Å; R19-E21 IonicContact NH2-OE1 3.86Å; R19-E21 PolarHBondContact NH2-OE1 3.41Å; R19-E21 PolarHBondContact O-N 3.31Å; E21-G23 PolarHBondContact O-N 3.43Å; E21-K230 HydrophobicContact CG-CB 4.45Å; E21-K230 VanDerWaalsContact O-CD 3.31Å; E21-K230 WeakPolarHBondContact O-CD 3.39Å; E21-K230 VanDerWaalsContact O-CE 3.29Å; E21-K230 WeakPolarHBondContact O-CE 3.31Å; E21-K230 PolarHBondContact O-NZ 2.96Å
22L94.1Very high93.8Very high6 Ų651 Ų513%0.03128%0.277CS..G310 helixtrans-71.4-20.1171.2-61.9-176.4000111.9R19 S20 S28 W29 K230R19-L22 HydrophobicContact CB-CB 4.37Å; R19-L22 HydrophobicContact CB-CD1 3.79Å; R19-L22 HydrophobicContact CB-CG 3.92Å; R19-L22 HydrophobicContact CG-CD1 4.21Å; R19-L22 PolarHBondContact O-N 3.49Å; S20-L22 VanDerWaalsContact C-N 3.3Å; S20-L22 PolarHBondContact O-N 2.93Å; L22-S28 WeakPolarHBondContact O-CB 3.14Å; L22-S28 PolarHBondContact O-OG 3.42Å; L22-W29 HydrophobicContact CB-CZ2 4.41Å; L22-W29 HydrophobicContact CD1-CD2 3.83Å; L22-W29 HydrophobicContact CD1-CE3 4.14Å; L22-W29 HydrophobicContact CD1-CG 4.31Å; L22-W29 HydrophobicContact CD1-CH2 4.11Å; L22-W29 HydrophobicContact CD1-CZ2 3.79Å; L22-W29 HydrophobicContact CD1-CZ3 4.28Å; L22-K230 HydrophobicContact CD2-CB 3.59Å; L22-K230 HydrophobicContact CD2-CD 3.89Å; L22-K230 HydrophobicContact CD2-CG 4.4Å
23G88.3Confident93.8Very high25 Ų2552.6 Ų52.626%0.25829%0.286SS..  trans70.5-162.2178.200000113.9S20 E21S20-G23 PolarHBondContact O-N 3.34Å; E21-G23 PolarHBondContact O-N 3.43Å
24D82.2Confident93.8Very high75 Ų7550.5 Ų50.540%0.40127%0.27SS..SBendtrans-102.42.2-168.8-163.433.6000114.5R12 L16R12-D24 IonicContact CZ-OD1 2.89Å; R12-D24 IonicContact CZ-OD2 2.74Å; R12-D24 IonicContact NE-OD1 3.08Å; R12-D24 PolarHBondContact NE-OD1 2.79Å; R12-D24 IonicContact NE-OD2 2.98Å; R12-D24 IonicContact NH1-OD2 3.69Å; R12-D24 PolarHBondContact NH2-O 3.28Å; R12-D24 VanDerWaalsContact NH2-O 3.11Å; R12-D24 IonicContact NH2-OD1 3.91Å; R12-D24 PolarHBondContact NH2-OD1 2.78Å; R12-D24 VanDerWaalsContact NH2-OD1 3.09Å; R12-D24 IonicContact NH2-OD2 3.7Å; R12-D24 PolarHBondContact NH2-OD2 2.85Å; L16-D24 HydrophobicContact CD1-CB 4.45Å
25S89.8Confident93.8Very high62 Ų6252 Ų5243%0.43428%0.283SS..  trans-80.7126.9173.5-177.40000110.4H27 S28S25-H27 VanDerWaalsContact C-N 3.27Å; S25-H27 PolarHBondContact O-N 3.24Å; S25-S28 PolarHBondContact O-N 2.89Å
26P88.8Confident93.7Very high71 Ų7157 Ų5746%0.46131%0.31SS..G310 helixtrans-55.6-41.7174-25.935.4000112.7S28 W29 Y30P26-S28 PolarHBondContact O-N 2.88Å; P26-S28 VanDerWaalsContact O-N 3.1Å; P26-W29 WeakPolarHBondContact O-CB 3.5Å; P26-W29 PolarHBondContact O-N 3.05Å; P26-Y30 HydrophobicContact CB-CE1 3.94Å; P26-Y30 WeakPolarHBondContact O-CD1 3.31Å; P26-Y30 WeakPolarHBondContact O-CE1 3.35Å
27H92.5Very high93.7Very high103 Ų10358.4 Ų58.448%0.47732%0.319SS..G310 helixtrans-56.2-30-177.6-174.1-68.6000113.4S25 W29 Y30 S31S25-H27 VanDerWaalsContact C-N 3.27Å; S25-H27 PolarHBondContact O-N 3.24Å; H27-W29 PolarHBondContact O-N 3.47Å; H27-W29 VanDerWaalsContact O-N 3.17Å; H27-Y30 HydrophobicContact CB-CE2 4.46Å; H27-Y30 PolarHBondContact O-N 3.44Å; H27-S31 WeakPolarHBondContact O-CA 3.43Å; H27-S31 WeakPolarHBondContact O-CB 3.44Å; H27-S31 PolarHBondContact O-N 3.16Å
28S93.5Very high93.8Very high33 Ų3355.8 Ų55.823%0.23131%0.31CS..G310 helixtrans-69.6-8.4178.4-580000113.8L22 S25 P26L22-S28 WeakPolarHBondContact O-CB 3.14Å; L22-S28 PolarHBondContact O-OG 3.42Å; S25-S28 PolarHBondContact O-N 2.89Å; P26-S28 PolarHBondContact O-N 2.88Å; P26-S28 VanDerWaalsContact O-N 3.1Å
29W95.9Very high93.8Very high9 Ų959.6 Ų59.63%0.03433%0.329CS..G310 helixtrans-95.2-17.3175.3-74.173.5000114.2K15 R19 L22 P26 H27 D129 D130 L133K15-W29 VanDerWaalsContact CA-CZ2 3.49Å; K15-W29 HydrophobicContact CB-CD2 4.44Å; K15-W29 HydrophobicContact CB-CH2 3.78Å; K15-W29 HydrophobicContact CB-CZ2 3.33Å; K15-W29 HydrophobicContact CB-CZ3 4.48Å; K15-W29 HydrophobicContact CD-CD2 3.63Å; K15-W29 HydrophobicContact CD-CE3 3.92Å; K15-W29 HydrophobicContact CD-CG 4.1Å; K15-W29 HydrophobicContact CD-CH2 4.35Å; K15-W29 HydrophobicContact CD-CZ2 4.09Å; K15-W29 HydrophobicContact CD-CZ3 4.26Å; K15-W29 HydrophobicContact CG-CD2 4.06Å; K15-W29 HydrophobicContact CG-CE3 4.08Å; K15-W29 HydrophobicContact CG-CH2 3.68Å; K15-W29 HydrophobicContact CG-CZ2 3.64Å; K15-W29 HydrophobicContact CG-CZ3 3.89Å; K15-W29 WeakPolarHBondContact O-CZ2 3.44Å; R19-W29 HydrophobicContact CB-CH2 3.73Å; R19-W29 HydrophobicContact CB-CZ2 3.74Å; R19-W29 HydrophobicContact CG-CH2 3.64Å; R19-W29 HydrophobicContact CG-CZ2 4.19Å; R19-W29 HydrophobicContact CG-CZ3 4.4Å; L22-W29 HydrophobicContact CB-CZ2 4.41Å; L22-W29 HydrophobicContact CD1-CD2 3.83Å; L22-W29 HydrophobicContact CD1-CE3 4.14Å; L22-W29 HydrophobicContact CD1-CG 4.31Å; L22-W29 HydrophobicContact CD1-CH2 4.11Å; L22-W29 HydrophobicContact CD1-CZ2 3.79Å; L22-W29 HydrophobicContact CD1-CZ3 4.28Å; P26-W29 WeakPolarHBondContact O-CB 3.5Å; P26-W29 PolarHBondContact O-N 3.05Å; H27-W29 PolarHBondContact O-N 3.47Å; H27-W29 VanDerWaalsContact O-N 3.17Å; W29-D129 WeakPolarHBondContact CB-OD1 3.47Å; W29-D129 HydrophobicContact CE3-CB 4.38Å; W29-D129 CarbonylContact O-C 3.52Å; W29-D129 VanDerWaalsContact O-CA 3.29Å; W29-D129 WeakPolarHBondContact O-CA 3.3Å; W29-D130 PolarHBondContact O-N 3.1Å; W29-L133 HydrophobicContact CH2-CD2 3.87Å; W29-L133 HydrophobicContact CH2-CG 4.47Å; W29-L133 HydrophobicContact CZ3-CD2 4.02Å; W29-L133 HydrophobicContact CZ3-CG 4.23Å
30Y94.9Very high93.9Very high83 Ų8359.8 Ų59.833%0.32533%0.332SS..SBendtrans-134.423.1-176.857.8-97000112.4P26 H27 C32 K33 E128 D130P26-Y30 HydrophobicContact CB-CE1 3.94Å; P26-Y30 WeakPolarHBondContact O-CD1 3.31Å; P26-Y30 WeakPolarHBondContact O-CE1 3.35Å; H27-Y30 HydrophobicContact CB-CE2 4.46Å; H27-Y30 PolarHBondContact O-N 3.44Å; Y30-C32 VanDerWaalsContact C-N 3.25Å; Y30-C32 PolarHBondContact O-N 3.12Å; Y30-K33 PolarHBondContact O-N 2.78Å; Y30-E128 WeakPolarHBondContact CB-O 3.49Å; Y30-D130 WeakPolarHBondContact CA-OD2 3.44Å
31S93.9Very high94Very high60 Ų6060.7 Ų60.742%0.4234%0.338SS..THydrogen-bonded Turntrans-61.4-28.3-175.347.10000114.5H27 D130H27-S31 WeakPolarHBondContact O-CA 3.43Å; H27-S31 WeakPolarHBondContact O-CB 3.44Å; H27-S31 PolarHBondContact O-N 3.16Å; S31-D130 PolarHBondContact N-OD2 2.96Å
32C94.1Very high94.2Very high36 Ų3659.4 Ų59.424%0.24333%0.334CS..THydrogen-bonded Turntrans-86.9-11.8176.8-570000112.7Y30 Y34 N37 D130Y30-C32 VanDerWaalsContact C-N 3.25Å; Y30-C32 PolarHBondContact O-N 3.12Å; C32-Y34 VanDerWaalsContact C-N 3.28Å; C32-Y34 HydrophobicContact CB-CD1 3.8Å; C32-Y34 HydrophobicContact CB-CD2 3.94Å; C32-Y34 HydrophobicContact CB-CE1 3.49Å; C32-Y34 VanDerWaalsContact CB-CE1 3.49Å; C32-Y34 HydrophobicContact CB-CE2 3.64Å; C32-Y34 HydrophobicContact CB-CG 4Å; C32-Y34 PolarHBondContact O-N 3.1Å; C32-N37 PolarHBondContact O-ND2 3.01Å; C32-D130 WeakPolarHBondContact CB-OD1 3.47Å; C32-D130 PolarHBondContact N-OD1 3.24Å; C32-D130 PolarHBondContact N-OD2 2.89Å
33K95.7Very high94.3Very high120 Ų12064.3 Ų64.352%0.52237%0.368SS..  trans54.838.3-176.3-55.3-174-179.8-175.40113.6Y30 A35 D36 N37 D130Y30-K33 PolarHBondContact O-N 2.78Å; K33-A35 PolarHBondContact O-N 3.19Å; K33-D36 PolarHBondContact O-N 3.3Å; K33-N37 VanDerWaalsContact O-CG 3.22Å; K33-N37 PolarHBondContact O-N 2.99Å; K33-N37 VanDerWaalsContact O-N 3.13Å; K33-N37 PolarHBondContact O-ND2 2.91Å; K33-N37 PolarHBondContact O-OD1 2.98Å; K33-D130 PolarHBondContact N-OD1 2.89Å
34Y96.6Very high94.6Very high10 Ų1064.8 Ų64.84%0.03937%0.366CS..Hα-helixtrans-63.9-13.8179.6-63.6-36.1000113.7C32 D36 N37 F38 D130 R184 I236 V240C32-Y34 VanDerWaalsContact C-N 3.28Å; C32-Y34 HydrophobicContact CB-CD1 3.8Å; C32-Y34 HydrophobicContact CB-CD2 3.94Å; C32-Y34 HydrophobicContact CB-CE1 3.49Å; C32-Y34 VanDerWaalsContact CB-CE1 3.49Å; C32-Y34 HydrophobicContact CB-CE2 3.64Å; C32-Y34 HydrophobicContact CB-CG 4Å; C32-Y34 PolarHBondContact O-N 3.1Å; Y34-D36 VanDerWaalsContact C-N 3.29Å; Y34-N37 WeakPolarHBondContact CA-OD1 3.24Å; Y34-N37 WeakPolarHBondContact CD1-OD1 3.37Å; Y34-F38 HydrophobicContact CD1-CB 4.22Å; Y34-F38 HydrophobicContact CG-CB 4.39Å; Y34-F38 WeakPolarHBondContact O-CB 3.06Å; Y34-F38 PolarHBondContact O-N 3.39Å; Y34-D130 HydrophobicContact CD2-CB 3.62Å; Y34-D130 HydrophobicContact CE2-CB 4.18Å; Y34-D130 HydrophobicContact CG-CB 4.43Å; Y34-D130 PolarHBondContact N-OD1 3.12Å; Y34-R184 VanDerWaalsContact C-CD 3.48Å; Y34-R184 VanDerWaalsContact O-CD 3.3Å; Y34-R184 WeakPolarHBondContact O-CD 3.5Å; Y34-I236 HydrophobicContact CD2-CB 4.44Å; Y34-I236 HydrophobicContact CD2-CD1 3.71Å; Y34-I236 HydrophobicContact CD2-CG1 3.82Å; Y34-I236 HydrophobicContact CD2-CG2 3.8Å; Y34-I236 HydrophobicContact CE2-CG1 4.2Å; Y34-I236 HydrophobicContact CE2-CG2 3.89Å; Y34-I236 HydrophobicContact CG-CD1 3.79Å; Y34-I236 HydrophobicContact CG-CG1 4.19Å; Y34-V240 HydrophobicContact CD1-CG2 4.43Å; Y34-V240 HydrophobicContact CE1-CG2 3.73Å
35A96.8Very high95.4Very high37 Ų3761.9 Ų61.931%0.30635%0.351SS..Hα-helixtrans-63.3-33.6168.100000113.1K33 E128K33-A35 PolarHBondContact O-N 3.19Å; A35-E128 HydrophobicContact CB-CB 4.12Å; A35-E128 HydrophobicContact CB-CG 4.49Å
36D96.4Very high95.6Very high134 Ų13463.8 Ų63.872%0.71735%0.353SS*.Hα-helixtrans-99.4-36.1-175-53.4-40.2000112.6K33 Y34K33-D36 PolarHBondContact O-N 3.3Å; Y34-D36 VanDerWaalsContact C-N 3.29Å
37N95.9Very high96.1Very high101 Ų10162.8 Ų62.854%0.5434%0.344SS..Hα-helixtrans-113.9-5.7-164.968.922.2000115.7C32 K33 Y34C32-N37 PolarHBondContact O-ND2 3.01Å; K33-N37 VanDerWaalsContact O-CG 3.22Å; K33-N37 PolarHBondContact O-N 2.99Å; K33-N37 VanDerWaalsContact O-N 3.13Å; K33-N37 PolarHBondContact O-ND2 2.91Å; K33-N37 PolarHBondContact O-OD1 2.98Å; Y34-N37 WeakPolarHBondContact CA-OD1 3.24Å; Y34-N37 WeakPolarHBondContact CD1-OD1 3.37Å
38F97.1Very high96.2Very high38 Ų3863.5 Ų63.517%0.16734%0.342CS..SBendtrans-101.7115.2178.3-167.9-88.5000111.4Y34 L40 I236 F239 V240 L279Y34-F38 HydrophobicContact CD1-CB 4.22Å; Y34-F38 HydrophobicContact CG-CB 4.39Å; Y34-F38 WeakPolarHBondContact O-CB 3.06Å; Y34-F38 PolarHBondContact O-N 3.39Å; F38-L40 HydrophobicContact CD1-CD2 3.61Å; F38-L40 HydrophobicContact CD1-CG 4.09Å; F38-L40 HydrophobicContact CE1-CD2 3.76Å; F38-L40 PolarHBondContact O-N 3.35Å; F38-I236 HydrophobicContact CB-CD1 4.19Å; F38-I236 HydrophobicContact CD1-CD1 3.89Å; F38-I236 HydrophobicContact CD1-CG1 4.26Å; F38-I236 HydrophobicContact CD2-CD1 4.38Å; F38-I236 HydrophobicContact CD2-CG1 4.19Å; F38-I236 HydrophobicContact CE1-CD1 4.42Å; F38-I236 HydrophobicContact CE1-CG1 4.4Å; F38-I236 HydrophobicContact CE2-CG1 4.33Å; F38-I236 HydrophobicContact CG-CD1 3.87Å; F38-I236 HydrophobicContact CG-CG1 4.16Å; F38-I236 HydrophobicContact CZ-CG1 4.44Å; F38-F239 HydrophobicContact CE2-CB 4.34Å; F38-F239 HydrophobicContact CZ-CB 3.84Å; F38-V240 HydrophobicContact CD2-CG2 3.52Å; F38-V240 HydrophobicContact CE2-CG2 3.47Å; F38-V240 VanDerWaalsContact CE2-CG2 3.47Å; F38-L279 HydrophobicContact CE1-CD2 3.74Å; F38-L279 HydrophobicContact CZ-CD2 4.22Å
39N97.7Very high96.4Very high93 Ų9362.3 Ų62.350%0.49733%0.334SS..  trans-73.1115.7-177.9-170.9-4.7000111.5S41 T44N39-S41 WeakPolarHBondContact OD1-CB 3.34Å; N39-S41 PolarHBondContact OD1-N 3.23Å; N39-S41 PolarHBondContact OD1-OG 3.08Å; N39-T44 HydrophobicContact CB-CG2 4.38Å
40L98Very high96.5Very high33 Ų3364.3 Ų64.317%0.17335%0.348CS..  trans-101.88.1177.7-63.4171.7000113.5F38 L42 P183 R184 L279 L281F38-L40 HydrophobicContact CD1-CD2 3.61Å; F38-L40 HydrophobicContact CD1-CG 4.09Å; F38-L40 HydrophobicContact CE1-CD2 3.76Å; F38-L40 PolarHBondContact O-N 3.35Å; L40-L42 PolarHBondContact O-N 2.86Å; L40-P183 HydrophobicContact CD1-CB 3.75Å; L40-R184 HydrophobicContact CD1-CG 3.81Å; L40-L279 HydrophobicContact CD2-CD2 4.02Å; L40-L281 HydrophobicContact CB-CD2 4.49Å; L40-L281 HydrophobicContact CD2-CD2 3.93Å
41S97.9Very high96.7Very high60 Ų6064.4 Ų64.442%0.4235%0.348SS..  trans-59.5135.1-179.5-57.90000111N39 S43 T44N39-S41 WeakPolarHBondContact OD1-CB 3.34Å; N39-S41 PolarHBondContact OD1-N 3.23Å; N39-S41 PolarHBondContact OD1-OG 3.08Å; S41-S43 PolarHBondContact O-N 3.15Å; S41-S43 VanDerWaalsContact O-N 3.13Å; S41-T44 WeakPolarHBondContact O-CB 3.46Å; S41-T44 WeakPolarHBondContact O-CG2 3.41Å; S41-T44 PolarHBondContact O-N 3.12Å; S41-T44 PolarHBondContact O-OG1 3.46Å
42L98Very high96.9Very high59 Ų5962.1 Ų62.131%0.30933%0.331SS..G310 helixtrans-60.6-28.2-175.4-49.9-172.9000112.6L40 T44 V45 Y206 L261 L281L40-L42 PolarHBondContact O-N 2.86Å; L42-T44 PolarHBondContact O-N 3.37Å; L42-V45 PolarHBondContact O-N 2.77Å; L42-Y206 HydrophobicContact CD1-CD1 3.87Å; L42-Y206 HydrophobicContact CD1-CD2 3.91Å; L42-Y206 HydrophobicContact CD1-CE1 3.87Å; L42-Y206 HydrophobicContact CD1-CE2 3.93Å; L42-Y206 HydrophobicContact CD1-CG 3.9Å; L42-Y206 HydrophobicContact CD2-CD1 4.4Å; L42-Y206 HydrophobicContact CD2-CD2 4.08Å; L42-Y206 HydrophobicContact CD2-CG 3.83Å; L42-L261 HydrophobicContact CB-CD1 4.37Å; L42-L261 HydrophobicContact CB-CD2 4Å; L42-L261 HydrophobicContact CD2-CD1 4.18Å; L42-L281 HydrophobicContact CD2-CB 4.06Å; L42-L281 HydrophobicContact CD2-CD1 3.59Å
43S96.6Very high97.2Very high109 Ų10961.7 Ų61.776%0.76233%0.326SS*.G310 helixtrans-64.4-10.3174.751.10000115S41 V45S41-S43 PolarHBondContact O-N 3.15Å; S41-S43 VanDerWaalsContact O-N 3.13Å; S43-V45 VanDerWaalsContact C-N 3.27Å; S43-V45 PolarHBondContact O-N 2.83Å
44T95Very high97.3Very high34 Ų3456.2 Ų56.221%0.20930%0.303CS..G310 helixtrans-83.42.3177.165.80000113.9N39 S41 L42 R208N39-T44 HydrophobicContact CB-CG2 4.38Å; S41-T44 WeakPolarHBondContact O-CB 3.46Å; S41-T44 WeakPolarHBondContact O-CG2 3.41Å; S41-T44 PolarHBondContact O-N 3.12Å; S41-T44 PolarHBondContact O-OG1 3.46Å; L42-T44 PolarHBondContact O-N 3.37Å; T44-R208 VanDerWaalsContact O-CZ 3.23Å; T44-R208 PolarHBondContact O-NH1 2.83Å; T44-R208 PolarHBondContact O-NH2 2.96Å; T44-R208 PolarHBondContact OG1-NH1 2.73Å
45V97.3Very high97.3Very high15 Ų1559.7 Ų59.79%0.09133%0.328CS..  trans-109.8120.2-174.9-171.20000110.4L42 S43 D47 R208 L261 L281L42-V45 PolarHBondContact O-N 2.77Å; S43-V45 VanDerWaalsContact C-N 3.27Å; S43-V45 PolarHBondContact O-N 2.83Å; V45-D47 VanDerWaalsContact C-N 3.33Å; V45-D47 PolarHBondContact O-N 3.27Å; V45-D47 VanDerWaalsContact O-N 3.16Å; V45-R208 HydrophobicContact CG1-CG 4.06Å; V45-R208 HydrophobicContact CG2-CB 4.2Å; V45-R208 HydrophobicContact CG2-CG 3.8Å; V45-L261 HydrophobicContact CB-CB 4.1Å; V45-L261 HydrophobicContact CG1-CB 3.85Å; V45-L261 HydrophobicContact CG2-CD1 4.35Å; V45-L281 HydrophobicContact CG2-CD1 4.11Å
46H95.6Very high97.3Very high101 Ų10165.7 Ų65.747%0.46835%0.347SS..  trans-89.868.9178.3-57-58.4000110.5R48 Y243 E259H46-R48 WeakPolarHBondContact O-CG 3.43Å; H46-R48 PolarHBondContact O-N 3.11Å; H46-R48 PolarHBondContact O-NE 2.92Å; H46-Y243 PolarHBondContact CD2-OH 3.05Å; H46-E259 WeakPolarHBondContact O-CB 3.34Å
47D97.9Very high97.4Very high50 Ų5059.9 Ų59.927%0.26732%0.317SS..  trans-57123.7-178.8-164.9-40.7000111.3V45 C49 R51 L261V45-D47 VanDerWaalsContact C-N 3.33Å; V45-D47 PolarHBondContact O-N 3.27Å; V45-D47 VanDerWaalsContact O-N 3.16Å; D47-C49 PolarHBondContact OD1-N 2.76Å; D47-C49 VanDerWaalsContact OD1-N 3.14Å; D47-R51 IonicContact OD1-CZ 3.01Å; D47-R51 IonicContact OD1-NH1 3.53Å; D47-R51 PolarHBondContact OD1-NH1 2.77Å; D47-R51 IonicContact OD2-CZ 2.65Å; D47-R51 IonicContact OD2-NH1 3.55Å; D47-R51 PolarHBondContact OD2-NH1 3.2Å; D47-R51 IonicContact OD2-NH2 3.63Å; D47-R51 PolarHBondContact OD2-NH2 2.83Å; D47-L261 HydrophobicContact CB-CB 4.27Å; D47-L261 PolarHBondContact OD2-N 3.38Å
48R95.7Very high97.5Very high119 Ų11957 Ų5745%0.44931%0.307SS..  trans-133.811-176.3-75.5178.6-74.8166.1-5112.3H46 T256 P257 L258 E259H46-R48 WeakPolarHBondContact O-CG 3.43Å; H46-R48 PolarHBondContact O-N 3.11Å; H46-R48 PolarHBondContact O-NE 2.92Å; R48-T256 VanDerWaalsContact NH1-CG2 3.32Å; R48-P257 PolarHBondContact NH2-O 3.34Å; R48-L258 HydrophobicContact CB-CD1 4.49Å; R48-E259 IonicContact CZ-OE1 2.76Å; R48-E259 PolarHBondContact N-O 3.28Å; R48-E259 IonicContact NH2-OE1 3.61Å; R48-E259 PolarHBondContact NH2-OE1 2.85Å
49C97.9Very high97.5Very high7 Ų758.1 Ų58.15%0.04731%0.312CS..  trans-91.3131.3-174.4-169.50000111.4D47 R51 V74 L258 E259 I260D47-C49 PolarHBondContact OD1-N 2.76Å; D47-C49 VanDerWaalsContact OD1-N 3.14Å; C49-R51 PolarHBondContact O-NH1 2.88Å; C49-V74 HydrophobicContact CB-CG2 4.09Å; C49-L258 HydrophobicContact CB-CD1 4.22Å; C49-L258 HydrophobicContact CB-CD2 4.43Å; C49-L258 HydrophobicContact CB-CG 4.22Å; C49-E259 PolarHBondContact N-O 2.68Å; C49-I260 HydrophobicContact CB-CB 4.48Å; C49-I260 HydrophobicContact CB-CD1 4.03Å; C49-I260 HydrophobicContact CB-CG1 3.69Å; C49-I260 HydrophobicContact CB-CG2 4.38Å
50P98Very high97.5Very high52 Ų5259.9 Ų59.934%0.33832%0.318SS..  trans-59.1147.717824.1-33.6000111.4V73 V74P50-V73 HydrophobicContact CB-CG2 4.39Å; P50-V73 HydrophobicContact CG-CG2 4.25Å; P50-V73 VanDerWaalsContact O-CG2 3.29Å; P50-V73 WeakPolarHBondContact O-CG2 3.46Å; P50-V74 PolarHBondContact O-N 3.34Å
51R98.7Very high97.5Very high85 Ų8561.9 Ų61.932%0.32133%0.326SS..EExtended strand (participates in β ladder)trans-118.1130.1179.3-84.2165.9171.585.2-3.7110.2D47 C49 V74 Q76 L261 E266D47-R51 IonicContact OD1-CZ 3.01Å; D47-R51 IonicContact OD1-NH1 3.53Å; D47-R51 PolarHBondContact OD1-NH1 2.77Å; D47-R51 IonicContact OD2-CZ 2.65Å; D47-R51 IonicContact OD2-NH1 3.55Å; D47-R51 PolarHBondContact OD2-NH1 3.2Å; D47-R51 IonicContact OD2-NH2 3.63Å; D47-R51 PolarHBondContact OD2-NH2 2.83Å; C49-R51 PolarHBondContact O-NH1 2.88Å; R51-V74 CarbonylContact C-O 3.56Å; R51-V74 VanDerWaalsContact CA-O 3.28Å; R51-V74 WeakPolarHBondContact CA-O 3.31Å; R51-V74 HydrophobicContact CG-CB 3.65Å; R51-V74 HydrophobicContact CG-CG1 3.93Å; R51-V74 HydrophobicContact CG-CG2 4.46Å; R51-Q76 HydrophobicContact CB-CG 4.47Å; R51-Q76 HydrophobicContact CG-CG 4.39Å; R51-L261 PolarHBondContact NH2-O 3.15Å; R51-L261 VanDerWaalsContact NH2-O 3.11Å; R51-E266 IonicContact CZ-OE1 3.26Å; R51-E266 IonicContact CZ-OE2 2.86Å; R51-E266 IonicContact NE-OE1 3.03Å; R51-E266 PolarHBondContact NE-OE1 3.08Å; R51-E266 IonicContact NE-OE2 3.76Å; R51-E266 IonicContact NH2-OE1 3.81Å; R51-E266 IonicContact NH2-OE2 2.76Å; R51-E266 PolarHBondContact NH2-OE2 3.33Å; R51-E266 VanDerWaalsContact NH2-OE2 3.1Å
52I98.7Very high97.6Very high12 Ų1259 Ų596%0.06231%0.306CS..EExtended strand (participates in β ladder)trans-117.6151.3172.861.5171.2000111.2V57 F62 Y66 V73 V74 I75 Q76I52-V57 HydrophobicContact CB-CG2 3.97Å; I52-V57 HydrophobicContact CD1-CG1 4.21Å; I52-V57 HydrophobicContact CG2-CG2 4.23Å; I52-F62 HydrophobicContact CD1-CD2 3.86Å; I52-Y66 HydrophobicContact CD1-CD2 4.29Å; I52-Y66 HydrophobicContact CD1-CE2 4.22Å; I52-Y66 HydrophobicContact CG2-CE1 4.46Å; I52-Y66 HydrophobicContact CG2-CE2 3.95Å; I52-V73 HydrophobicContact CB-CG2 4.39Å; I52-V73 HydrophobicContact CD1-CG1 4.14Å; I52-V73 HydrophobicContact CD1-CG2 4.26Å; I52-V73 HydrophobicContact CG1-CG1 4.44Å; I52-V73 HydrophobicContact CG1-CG2 3.88Å; I52-V73 HydrophobicContact CG2-CG2 3.92Å; I52-V74 PolarHBondContact N-O 3.1Å; I52-I75 HydrophobicContact CD1-CD1 4.4Å; I52-I75 HydrophobicContact CD1-CG1 4.07Å; I52-I75 HydrophobicContact CG1-CB 4.37Å; I52-I75 HydrophobicContact CG1-CG1 4Å; I52-I75 HydrophobicContact CG1-CG2 4.3Å; I52-Q76 PolarHBondContact O-N 3.31Å
53D98.5Very high97.6Very high26 Ų2657.2 Ų57.214%0.13930%0.297CS..EExtended strand (participates in β ladder)trans-98114.8178.9-175.5-11.4000110.2C55 K56 V57 N77D53-C55 PolarHBondContact O-N 2.97Å; D53-C55 WeakPolarHBondContact OD1-CB 3.24Å; D53-C55 PolarHBondContact OD1-N 2.83Å; D53-K56 HydrophobicContact CB-CB 4.18Å; D53-K56 HydrophobicContact CB-CD 4.04Å; D53-K56 HydrophobicContact CB-CG 4.08Å; D53-K56 PolarHBondContact O-N 2.97Å; D53-K56 WeakPolarHBondContact OD2-CD 3.26Å; D53-K56 VanDerWaalsContact OD2-CE 3.31Å; D53-K56 WeakPolarHBondContact OD2-CE 3.35Å; D53-K56 IonicContact OD2-NZ 2.69Å; D53-K56 PolarHBondContact OD2-NZ 2.94Å; D53-V57 PolarHBondContact O-N 3Å; D53-N77 VanDerWaalsContact CG-ND2 3.29Å; D53-N77 WeakPolarHBondContact OD1-CB 3.07Å; D53-N77 PolarHBondContact OD1-ND2 3.18Å; D53-N77 PolarHBondContact OD2-ND2 2.76Å
54A98.1Very high97.6Very high6 Ų654.5 Ų54.55%0.0528%0.282CS..THydrogen-bonded Turntrans-66.2-4.3177.800000114.4I75 Q76 A78 R157 Y158A54-I75 HydrophobicContact CB-CG2 3.81Å; A54-Q76 WeakPolarHBondContact CB-O 3.34Å; A54-Q76 PolarHBondContact N-O 3.37Å; A54-A78 HydrophobicContact CB-CB 4Å; A54-R157 PolarHBondContact O-NH1 2.91Å; A54-R157 PolarHBondContact O-NH2 3.27Å; A54-Y158 HydrophobicContact CB-CE2 4.03Å
55C97Very high97.8Very high83 Ų8357.5 Ų57.556%0.56129%0.293SS*.THydrogen-bonded Turntrans-88.3-16.7167.6-67.40000113.1D53D53-C55 PolarHBondContact O-N 2.97Å; D53-C55 WeakPolarHBondContact OD1-CB 3.24Å; D53-C55 PolarHBondContact OD1-N 2.83Å
56K97.9Very high97.8Very high162 Ų16258.4 Ų58.470%0.70430%0.295SS*.THydrogen-bonded Turntrans-111.2-46-172.8-60.7-179.7-179.6121.50113.6D53D53-K56 HydrophobicContact CB-CB 4.18Å; D53-K56 HydrophobicContact CB-CD 4.04Å; D53-K56 HydrophobicContact CB-CG 4.08Å; D53-K56 PolarHBondContact O-N 2.97Å; D53-K56 WeakPolarHBondContact OD2-CD 3.26Å; D53-K56 VanDerWaalsContact OD2-CE 3.31Å; D53-K56 WeakPolarHBondContact OD2-CE 3.35Å; D53-K56 IonicContact OD2-NZ 2.69Å; D53-K56 PolarHBondContact OD2-NZ 2.94Å
57V98.1Very high97.9Very high13 Ų1354 Ų548%0.07928%0.275CS..SBendtrans-77.6124.4-173.2170.20000111.6I52 D53 E61 F62 R157 Y158I52-V57 HydrophobicContact CB-CG2 3.97Å; I52-V57 HydrophobicContact CD1-CG1 4.21Å; I52-V57 HydrophobicContact CG2-CG2 4.23Å; D53-V57 PolarHBondContact O-N 3Å; V57-E61 WeakPolarHBondContact CA-OE2 3.36Å; V57-E61 HydrophobicContact CG1-CB 4.11Å; V57-E61 HydrophobicContact CG1-CG 3.94Å; V57-F62 HydrophobicContact CG1-CB 4.17Å; V57-R157 PolarHBondContact O-NH2 2.94Å; V57-Y158 PolarHBondContact O-OH 3.11Å
58A97.8Very high97.8Very high41 Ų4159 Ų5934%0.33929%0.29SS..  trans-65.9164.9178.900000112.3E60 E61 F62 Y158A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E61 HydrophobicContact CB-CB 4Å; A58-E61 PolarHBondContact N-OE2 2.68Å; A58-F62 PolarHBondContact O-N 3.24Å; A58-F62 VanDerWaalsContact O-N 3.11Å; A58-Y158 WeakPolarHBondContact O-CE1 3.32Å
59H97.8Very high97.8Very high60 Ų6057 Ų5728%0.27829%0.292SS..Hα-helixtrans-66.1-42.6177.2173.495.5000110.3F62 V63 R157H59-F62 WeakPolarHBondContact O-CB 3.47Å; H59-F62 PolarHBondContact O-N 3.16Å; H59-V63 WeakPolarHBondContact O-CG2 3.45Å; H59-V63 PolarHBondContact O-N 2.71Å; H59-R157 PolarHBondContact ND1-O 3.08Å
60E97.3Very high97.8Very high131 Ų13159 Ų5961%0.61230%0.299SS*.Hα-helixtrans-66.6-39.6-176.7-62.164.3-143.100111.3A58 V63 A64A58-E60 VanDerWaalsContact C-N 3.33Å; E60-V63 PolarHBondContact O-N 3.12Å; E60-A64 WeakPolarHBondContact O-CB 3.25Å; E60-A64 PolarHBondContact O-N 2.62Å
61E98.2Very high97.8Very high75 Ų7559.9 Ų59.935%0.3530%0.299SS..Hα-helixtrans-62.1-48.9172-174-172.9165.600110.7V57 A58 V63 A64 E65V57-E61 WeakPolarHBondContact CA-OE2 3.36Å; V57-E61 HydrophobicContact CG1-CB 4.11Å; V57-E61 HydrophobicContact CG1-CG 3.94Å; A58-E61 HydrophobicContact CB-CB 4Å; A58-E61 PolarHBondContact N-OE2 2.68Å; E61-V63 VanDerWaalsContact C-N 3.31Å; E61-V63 PolarHBondContact O-N 2.96Å; E61-A64 PolarHBondContact O-N 3.06Å; E61-A64 VanDerWaalsContact O-N 3.13Å; E61-E65 WeakPolarHBondContact O-CB 3.32Å; E61-E65 PolarHBondContact O-N 2.74Å
62F98.6Very high97.8Very high0 Ų055.9 Ų55.90%028%0.284CS..Hα-helixtrans-57.9-42.9174.7169.3-92.1000112.7I52 V57 A58 H59 A64 Y66 E67 V73 I75 Y158 F159 F269I52-F62 HydrophobicContact CD1-CD2 3.86Å; V57-F62 HydrophobicContact CG1-CB 4.17Å; A58-F62 PolarHBondContact O-N 3.24Å; A58-F62 VanDerWaalsContact O-N 3.11Å; H59-F62 WeakPolarHBondContact O-CB 3.47Å; H59-F62 PolarHBondContact O-N 3.16Å; F62-A64 VanDerWaalsContact C-N 3.34Å; F62-Y66 AromaticContact CD2-CD2 3.92Å; F62-Y66 HydrophobicContact CD2-CD2 3.92Å; F62-Y66 HydrophobicContact CD2-CG 4.31Å; F62-Y66 HydrophobicContact CE2-CD2 4.49Å; F62-Y66 HydrophobicContact CE2-CG 4.43Å; F62-Y66 PolarHBondContact O-N 3.25Å; F62-E67 HydrophobicContact CD1-CB 4.42Å; F62-E67 HydrophobicContact CE1-CB 3.86Å; F62-E67 HydrophobicContact CE1-CG 4.39Å; F62-E67 HydrophobicContact CZ-CB 4.38Å; F62-E67 PolarHBondContact O-N 3.35Å; F62-E67 VanDerWaalsContact O-N 3.1Å; F62-V73 HydrophobicContact CE2-CG1 4Å; F62-I75 HydrophobicContact CD2-CD1 4.33Å; F62-I75 HydrophobicContact CE2-CD1 3.85Å; F62-Y158 HydrophobicContact CB-CD1 3.42Å; F62-Y158 VanDerWaalsContact CB-CD1 3.42Å; F62-Y158 HydrophobicContact CB-CE1 3.48Å; F62-Y158 VanDerWaalsContact CB-CE1 3.48Å; F62-Y158 HydrophobicContact CB-CG 4.22Å; F62-Y158 AromaticContact CD1-CD1 3.68Å; F62-Y158 HydrophobicContact CD1-CD1 3.68Å; F62-Y158 AromaticContact CD1-CG 3.83Å; F62-Y158 HydrophobicContact CD1-CG 3.83Å; F62-Y158 HydrophobicContact CD2-CD1 4.21Å; F62-Y158 HydrophobicContact CD2-CD2 4.47Å; F62-Y158 HydrophobicContact CD2-CG 4.17Å; F62-Y158 HydrophobicContact CE1-CG 4.29Å; F62-Y158 AromaticContact CG-CD1 3.47Å; F62-Y158 HydrophobicContact CG-CD1 3.47Å; F62-Y158 VanDerWaalsContact CG-CD1 3.47Å; F62-Y158 HydrophobicContact CG-CD2 4.48Å; F62-Y158 AromaticContact CG-CE1 3.96Å; F62-Y158 HydrophobicContact CG-CE1 3.96Å; F62-Y158 AromaticContact CG-CG 3.77Å; F62-Y158 HydrophobicContact CG-CG 3.77Å; F62-F159 HydrophobicContact CE1-CE1 4.11Å; F62-F159 AromaticContact CZ-CE1 3.77Å; F62-F159 HydrophobicContact CZ-CE1 3.77Å; F62-F159 HydrophobicContact CZ-CZ 4.34Å; F62-F269 HydrophobicContact CE2-CB 4.46Å; F62-F269 HydrophobicContact CE2-CD1 4.05Å; F62-F269 HydrophobicContact CE2-CG 4.22Å; F62-F269 HydrophobicContact CZ-CB 4.47Å; F62-F269 AromaticContact CZ-CD1 3.85Å; F62-F269 HydrophobicContact CZ-CD1 3.85Å; F62-F269 HydrophobicContact CZ-CD2 4.1Å; F62-F269 HydrophobicContact CZ-CE1 4.05Å; F62-F269 HydrophobicContact CZ-CE2 4.31Å; F62-F269 AromaticContact CZ-CG 3.87Å; F62-F269 HydrophobicContact CZ-CG 3.87Å; F62-F269 HydrophobicContact CZ-CZ 4.29Å
63V97.9Very high97.8Very high20 Ų2055.3 Ų55.312%0.12128%0.281CS..Iπ-helixtrans-64.9-39.6177.9173.10000111.1H59 E60 E61 R68H59-V63 WeakPolarHBondContact O-CG2 3.45Å; H59-V63 PolarHBondContact O-N 2.71Å; E60-V63 PolarHBondContact O-N 3.12Å; E61-V63 VanDerWaalsContact C-N 3.31Å; E61-V63 PolarHBondContact O-N 2.96Å; V63-R68 WeakPolarHBondContact O-CB 3.41Å; V63-R68 PolarHBondContact O-N 3.26Å
64A97.8Very high97.8Very high52 Ų5254 Ų5443%0.4327%0.274SS..Iπ-helixtrans-72.5-43.3-178.800000113.3E60 E61 F62 P69E60-A64 WeakPolarHBondContact O-CB 3.25Å; E60-A64 PolarHBondContact O-N 2.62Å; E61-A64 PolarHBondContact O-N 3.06Å; E61-A64 VanDerWaalsContact O-N 3.13Å; F62-A64 VanDerWaalsContact C-N 3.34Å; A64-P69 VanDerWaalsContact O-CD 3.31Å; A64-P69 WeakPolarHBondContact O-CD 3.14Å
65E98Very high97.8Very high97 Ų9753.8 Ų53.845%0.45327%0.272SS..Iπ-helixtrans-91.2-28.4-173-67.8-171.4176.700114.6E61 P69E61-E65 WeakPolarHBondContact O-CB 3.32Å; E61-E65 PolarHBondContact O-N 2.74Å; E65-P69 VanDerWaalsContact C-CG 3.43Å; E65-P69 WeakPolarHBondContact O-CG 3.34Å
66Y98.2Very high97.9Very high34 Ų3453.2 Ų53.213%0.13326%0.261CS..Iπ-helixtrans-122.2-51-172.8-53.1-79.6000113I52 F62 Y70 Q71 V73I52-Y66 HydrophobicContact CD1-CD2 4.29Å; I52-Y66 HydrophobicContact CD1-CE2 4.22Å; I52-Y66 HydrophobicContact CG2-CE1 4.46Å; I52-Y66 HydrophobicContact CG2-CE2 3.95Å; F62-Y66 AromaticContact CD2-CD2 3.92Å; F62-Y66 HydrophobicContact CD2-CD2 3.92Å; F62-Y66 HydrophobicContact CD2-CG 4.31Å; F62-Y66 HydrophobicContact CE2-CD2 4.49Å; F62-Y66 HydrophobicContact CE2-CG 4.43Å; F62-Y66 PolarHBondContact O-N 3.25Å; Y66-Y70 PolarHBondContact O-N 3.13Å; Y66-Q71 HydrophobicContact CD1-CB 4.41Å; Y66-Q71 HydrophobicContact CD1-CG 4.24Å; Y66-Q71 PolarHBondContact O-N 3.44Å; Y66-V73 HydrophobicContact CD1-CB 3.5Å; Y66-V73 VanDerWaalsContact CD1-CB 3.5Å; Y66-V73 HydrophobicContact CD1-CG1 3.76Å; Y66-V73 HydrophobicContact CD1-CG2 3.81Å; Y66-V73 HydrophobicContact CD2-CG1 4.46Å; Y66-V73 HydrophobicContact CE1-CB 3.87Å; Y66-V73 HydrophobicContact CE1-CG1 4.41Å; Y66-V73 HydrophobicContact CE1-CG2 3.63Å; Y66-V73 HydrophobicContact CG-CB 4.09Å; Y66-V73 HydrophobicContact CG-CG1 3.81Å; Y66-V73 HydrophobicContact CG-CG2 4.48Å
67E97.8Very high97.9Very high9 Ų948.9 Ų48.94%0.04225%0.246CC..Iπ-helixtrans-72.4-53.4-172.2-160-174.5-161.300113.1F62 Y70 F269 F291 S293 A295F62-E67 HydrophobicContact CD1-CB 4.42Å; F62-E67 HydrophobicContact CE1-CB 3.86Å; F62-E67 HydrophobicContact CE1-CG 4.39Å; F62-E67 HydrophobicContact CZ-CB 4.38Å; F62-E67 PolarHBondContact O-N 3.35Å; F62-E67 VanDerWaalsContact O-N 3.1Å; E67-Y70 PolarHBondContact O-N 3.14Å; E67-F269 HydrophobicContact CB-CZ 4.27Å; E67-F269 HydrophobicContact CG-CZ 3.91Å; E67-F291 VanDerWaalsContact OE1-CE2 3.3Å; E67-F291 WeakPolarHBondContact OE1-CE2 3.47Å; E67-S293 WeakPolarHBondContact OE1-CB 3.25Å; E67-S293 PolarHBondContact OE1-OG 2.92Å; E67-A295 HydrophobicContact CB-CB 4.49Å; E67-A295 HydrophobicContact CG-CB 3.81Å
68R95.9Very high97.9Very high156 Ų15649 Ų4959%0.58925%0.248SC*.THydrogen-bonded Turntrans-64.9-40.6-179.3-170.6-176.9-62.1126.11.3113.9V63 Y70V63-R68 WeakPolarHBondContact O-CB 3.41Å; V63-R68 PolarHBondContact O-N 3.26Å; R68-Y70 WeakPolarHBondContact O-CD2 3.37Å; R68-Y70 PolarHBondContact O-N 3.37Å
69P96.5Very high97.9Very high76 Ų7647.2 Ų47.249%0.49423%0.232SC..THydrogen-bonded Turntrans-81.93.517432.3-35.6000113.8A64 E65 Q71A64-P69 VanDerWaalsContact O-CD 3.31Å; A64-P69 WeakPolarHBondContact O-CD 3.14Å; E65-P69 VanDerWaalsContact C-CG 3.43Å; E65-P69 WeakPolarHBondContact O-CG 3.34Å; P69-Q71 PolarHBondContact O-N 3.49Å
70Y96.9Very high97.8Very high48 Ų4848.9 Ų48.919%0.18824%0.242CC..THydrogen-bonded Turntrans56.644.6-178.2-69.1-107.5000113.3Y66 E67 R68 P271 G272 W274 A295 N296 I299Y66-Y70 PolarHBondContact O-N 3.13Å; E67-Y70 PolarHBondContact O-N 3.14Å; R68-Y70 WeakPolarHBondContact O-CD2 3.37Å; R68-Y70 PolarHBondContact O-N 3.37Å; Y70-P271 VanDerWaalsContact C-CG 3.46Å; Y70-P271 HydrophobicContact CD1-CB 3.77Å; Y70-P271 HydrophobicContact CG-CB 4.17Å; Y70-P271 WeakPolarHBondContact O-CG 3.12Å; Y70-G272 VanDerWaalsContact CD1-O 3.25Å; Y70-G272 WeakPolarHBondContact CD1-O 3.39Å; Y70-G272 WeakPolarHBondContact CE1-O 3.26Å; Y70-W274 PolarHBondContact O-NE1 2.87Å; Y70-A295 PolarHBondContact OH-O 2.76Å; Y70-N296 VanDerWaalsContact OH-CA 3.32Å; Y70-N296 WeakPolarHBondContact OH-CA 3.49Å; Y70-I299 HydrophobicContact CE1-CD1 4.49Å
71Q97.8Very high97.7Very high72 Ų7249.6 Ų49.634%0.33625%0.251SS..  trans-97.8121.7178.1-177.558.733.700111Y66 P69 F269Y66-Q71 HydrophobicContact CD1-CB 4.41Å; Y66-Q71 HydrophobicContact CD1-CG 4.24Å; Y66-Q71 PolarHBondContact O-N 3.44Å; P69-Q71 PolarHBondContact O-N 3.49Å; Q71-F269 WeakPolarHBondContact O-CD1 3.49Å
72P98.6Very high97.7Very high0 Ų046.7 Ų46.70%024%0.236CC..  trans-65.9144.3173.2-15.627.8000111.4L211 L258 P271 W274P72-L211 HydrophobicContact CB-CD2 4.18Å; P72-L211 HydrophobicContact CG-CD2 4.29Å; P72-L258 HydrophobicContact CB-CD2 3.8Å; P72-L258 HydrophobicContact CG-CD2 3.89Å; P72-P271 HydrophobicContact CB-CG 4.44Å; P72-P271 HydrophobicContact CG-CG 4.03Å; P72-W274 VanDerWaalsContact CD-CE2 3.49Å; P72-W274 HydrophobicContact CG-CD2 3.59Å; P72-W274 HydrophobicContact CG-CE3 3.78Å; P72-W274 HydrophobicContact CG-CG 4.21Å; P72-W274 HydrophobicContact CG-CH2 3.85Å; P72-W274 HydrophobicContact CG-CZ2 3.67Å; P72-W274 HydrophobicContact CG-CZ3 3.9Å
73V98.8Very high97.7Very high0 Ų053 Ų530%026%0.264CS..EExtended strand (participates in β ladder)trans-149.8149179.3700000110.9P50 I52 F62 Y66 I75 F269P50-V73 HydrophobicContact CB-CG2 4.39Å; P50-V73 HydrophobicContact CG-CG2 4.25Å; P50-V73 VanDerWaalsContact O-CG2 3.29Å; P50-V73 WeakPolarHBondContact O-CG2 3.46Å; I52-V73 HydrophobicContact CB-CG2 4.39Å; I52-V73 HydrophobicContact CD1-CG1 4.14Å; I52-V73 HydrophobicContact CD1-CG2 4.26Å; I52-V73 HydrophobicContact CG1-CG1 4.44Å; I52-V73 HydrophobicContact CG1-CG2 3.88Å; I52-V73 HydrophobicContact CG2-CG2 3.92Å; F62-V73 HydrophobicContact CE2-CG1 4Å; Y66-V73 HydrophobicContact CD1-CB 3.5Å; Y66-V73 VanDerWaalsContact CD1-CB 3.5Å; Y66-V73 HydrophobicContact CD1-CG1 3.76Å; Y66-V73 HydrophobicContact CD1-CG2 3.81Å; Y66-V73 HydrophobicContact CD2-CG1 4.46Å; Y66-V73 HydrophobicContact CE1-CB 3.87Å; Y66-V73 HydrophobicContact CE1-CG1 4.41Å; Y66-V73 HydrophobicContact CE1-CG2 3.63Å; Y66-V73 HydrophobicContact CG-CB 4.09Å; Y66-V73 HydrophobicContact CG-CG1 3.81Å; Y66-V73 HydrophobicContact CG-CG2 4.48Å; V73-I75 HydrophobicContact CG1-CD1 4.46Å; V73-I75 HydrophobicContact CG1-CG1 4.04Å; V73-F269 HydrophobicContact CG1-CB 4.04Å; V73-F269 HydrophobicContact CG1-CD1 4.17Å; V73-F269 PolarHBondContact O-N 2.88Å
74V98.9Very high97.8Very high0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-93.5124.4170.6-178.40000109.4C49 P50 R51 I52 I260 E266 V268C49-V74 HydrophobicContact CB-CG2 4.09Å; P50-V74 PolarHBondContact O-N 3.34Å; R51-V74 CarbonylContact C-O 3.56Å; R51-V74 VanDerWaalsContact CA-O 3.28Å; R51-V74 WeakPolarHBondContact CA-O 3.31Å; R51-V74 HydrophobicContact CG-CB 3.65Å; R51-V74 HydrophobicContact CG-CG1 3.93Å; R51-V74 HydrophobicContact CG-CG2 4.46Å; I52-V74 PolarHBondContact N-O 3.1Å; V74-I260 HydrophobicContact CG2-CD1 4.11Å; V74-I260 HydrophobicContact CG2-CG2 3.47Å; V74-I260 VanDerWaalsContact CG2-CG2 3.47Å; V74-E266 HydrophobicContact CG1-CB 3.79Å; V74-E266 HydrophobicContact CG1-CG 4.09Å; V74-V268 HydrophobicContact CG2-CG2 4.39Å
75I98.9Very high97.8Very high0 Ų051.9 Ų51.90%025%0.25CS..EExtended strand (participates in β ladder)trans-104.3110.6-177.1-49-174.8000109.2I52 A54 F62 V73 A78 Y158 F159 T267 F269I52-I75 HydrophobicContact CD1-CD1 4.4Å; I52-I75 HydrophobicContact CD1-CG1 4.07Å; I52-I75 HydrophobicContact CG1-CB 4.37Å; I52-I75 HydrophobicContact CG1-CG1 4Å; I52-I75 HydrophobicContact CG1-CG2 4.3Å; A54-I75 HydrophobicContact CB-CG2 3.81Å; F62-I75 HydrophobicContact CD2-CD1 4.33Å; F62-I75 HydrophobicContact CE2-CD1 3.85Å; V73-I75 HydrophobicContact CG1-CD1 4.46Å; V73-I75 HydrophobicContact CG1-CG1 4.04Å; I75-A78 HydrophobicContact CG2-CB 3.93Å; I75-Y158 HydrophobicContact CD1-CD2 3.73Å; I75-Y158 HydrophobicContact CD1-CE2 4.13Å; I75-Y158 HydrophobicContact CG2-CD2 4.27Å; I75-Y158 HydrophobicContact CG2-CE2 3.8Å; I75-F159 HydrophobicContact CD1-CE2 4.21Å; I75-F159 HydrophobicContact CD1-CZ 3.64Å; I75-T267 WeakPolarHBondContact CA-O 3.33Å; I75-T267 WeakPolarHBondContact CB-O 3.45Å; I75-T267 PolarHBondContact N-O 2.88Å; I75-T267 PolarHBondContact O-N 3.06Å; I75-F269 HydrophobicContact CD1-CB 4.34Å
76Q98.7Very high97.8Very high71 Ų7154.2 Ų54.233%0.33226%0.261SS..EExtended strand (participates in β ladder)trans-83.4161.4174-57.7-170-43.800110.3R51 I52 A54 A78 E266R51-Q76 HydrophobicContact CB-CG 4.47Å; R51-Q76 HydrophobicContact CG-CG 4.39Å; I52-Q76 PolarHBondContact O-N 3.31Å; A54-Q76 WeakPolarHBondContact CB-O 3.34Å; A54-Q76 PolarHBondContact N-O 3.37Å; Q76-A78 PolarHBondContact O-N 3.45Å; Q76-E266 HydrophobicContact CG-CG 4.45Å; Q76-E266 PolarHBondContact NE2-OE1 3.21Å
77N98.2Very high97.8Very high71 Ų7154.9 Ų54.938%0.3827%0.267SS..SBendtrans60.7-0.1175.7-64.8-25.6000117.2D53 Q79 I80D53-N77 VanDerWaalsContact CG-ND2 3.29Å; D53-N77 WeakPolarHBondContact OD1-CB 3.07Å; D53-N77 PolarHBondContact OD1-ND2 3.18Å; D53-N77 PolarHBondContact OD2-ND2 2.76Å; N77-Q79 PolarHBondContact O-N 3.2Å; N77-I80 HydrophobicContact CB-CD1 3.69Å; N77-I80 HydrophobicContact CB-CG1 4.18Å; N77-I80 WeakPolarHBondContact O-CG1 3.37Å; N77-I80 PolarHBondContact O-N 2.99Å
78A97.8Very high97.8Very high15 Ų1554.5 Ų54.512%0.12427%0.265CS..THydrogen-bonded Turntrans-64.9-11.7177.600000114.5A54 I75 Q76 C156A54-A78 HydrophobicContact CB-CB 4Å; I75-A78 HydrophobicContact CG2-CB 3.93Å; Q76-A78 PolarHBondContact O-N 3.45Å; A78-C156 HydrophobicContact CB-CB 4.41Å
79Q97.8Very high97.9Very high4 Ų449.5 Ų49.52%0.01925%0.252CS..THydrogen-bonded Turntrans-117.48.5-172.6-55.2179.732.200113.9N77 N81 W82 N85 A201 L202 G265 E266 T267N77-Q79 PolarHBondContact O-N 3.2Å; Q79-N81 VanDerWaalsContact C-N 3.33Å; Q79-N81 PolarHBondContact O-N 3.46Å; Q79-W82 HydrophobicContact CB-CB 4.49Å; Q79-W82 HydrophobicContact CB-CD2 3.85Å; Q79-W82 HydrophobicContact CB-CE3 4.07Å; Q79-W82 HydrophobicContact CB-CG 4.04Å; Q79-W82 HydrophobicContact CG-CD2 3.95Å; Q79-W82 HydrophobicContact CG-CE3 3.87Å; Q79-W82 HydrophobicContact CG-CH2 4.16Å; Q79-W82 HydrophobicContact CG-CZ2 4.17Å; Q79-W82 HydrophobicContact CG-CZ3 3.99Å; Q79-W82 VanDerWaalsContact O-CB 3.28Å; Q79-W82 WeakPolarHBondContact O-CB 3.35Å; Q79-W82 PolarHBondContact O-N 3.18Å; Q79-N85 PolarHBondContact O-ND2 3.23Å; Q79-A201 HydrophobicContact CG-CB 4.47Å; Q79-L202 PolarHBondContact NE2-O 2.91Å; Q79-L202 PolarHBondContact OE1-O 2.78Å; Q79-G265 PolarHBondContact NE2-O 2.87Å; Q79-E266 PolarHBondContact NE2-O 3.14Å; Q79-E266 VanDerWaalsContact NE2-O 3.16Å; Q79-T267 PolarHBondContact NE2-OG1 3.46Å; Q79-T267 VanDerWaalsContact NE2-OG1 3.08Å
80I95.4Very high98Very high95 Ų9547.6 Ų47.649%0.48724%0.237SC..THydrogen-bonded Turntrans-49.4-50.1-171.5-72.4166.9000112.5N77 W82N77-I80 HydrophobicContact CB-CD1 3.69Å; N77-I80 HydrophobicContact CB-CG1 4.18Å; N77-I80 WeakPolarHBondContact O-CG1 3.37Å; N77-I80 PolarHBondContact O-N 2.99Å; I80-W82 VanDerWaalsContact C-N 3.29Å; I80-W82 PolarHBondContact O-N 3.41Å
81N95.6Very high98.1Very high147 Ų14753.9 Ų53.979%0.78627%0.265SS*.THydrogen-bonded Turntrans-87.513.2-175.1-63.6-38.1000114Q79 K83Q79-N81 VanDerWaalsContact C-N 3.33Å; Q79-N81 PolarHBondContact O-N 3.46Å; N81-K83 PolarHBondContact O-N 3.13Å
82W98.3Very high98.1Very high13 Ų1353.7 Ų53.75%0.04927%0.267CS..  trans-80.5117.5-177.9-73.217.9000111.6Q79 I80 A84 N85 D152 Y153 T154 W199 A201 V203 V287Q79-W82 HydrophobicContact CB-CB 4.49Å; Q79-W82 HydrophobicContact CB-CD2 3.85Å; Q79-W82 HydrophobicContact CB-CE3 4.07Å; Q79-W82 HydrophobicContact CB-CG 4.04Å; Q79-W82 HydrophobicContact CG-CD2 3.95Å; Q79-W82 HydrophobicContact CG-CE3 3.87Å; Q79-W82 HydrophobicContact CG-CH2 4.16Å; Q79-W82 HydrophobicContact CG-CZ2 4.17Å; Q79-W82 HydrophobicContact CG-CZ3 3.99Å; Q79-W82 VanDerWaalsContact O-CB 3.28Å; Q79-W82 WeakPolarHBondContact O-CB 3.35Å; Q79-W82 PolarHBondContact O-N 3.18Å; I80-W82 VanDerWaalsContact C-N 3.29Å; I80-W82 PolarHBondContact O-N 3.41Å; W82-A84 HydrophobicContact CB-CB 4.25Å; W82-A84 HydrophobicContact CE3-CB 4.28Å; W82-A84 PolarHBondContact O-N 2.71Å; W82-N85 WeakPolarHBondContact O-CB 3.36Å; W82-N85 PolarHBondContact O-N 3.21Å; W82-N85 PolarHBondContact O-ND2 2.93Å; W82-D152 CarbonylContact C-O 3.54Å; W82-Y153 HydrophobicContact CH2-CD2 4.15Å; W82-Y153 HydrophobicContact CH2-CG 4.36Å; W82-Y153 HydrophobicContact CZ2-CD2 4.18Å; W82-Y153 HydrophobicContact CZ3-CG 4.45Å; W82-T154 WeakPolarHBondContact CZ2-O 3.23Å; W82-T154 PolarHBondContact NE1-O 3.15Å; W82-T154 PolarHBondContact NE1-OG1 3.32Å; W82-W199 HydrophobicContact CH2-CZ3 4.23Å; W82-A201 HydrophobicContact CH2-CB 3.32Å; W82-A201 HydrophobicContact CZ2-CB 4.39Å; W82-A201 HydrophobicContact CZ3-CB 3.59Å; W82-V203 HydrophobicContact CE3-CG2 4.05Å; W82-V203 HydrophobicContact CZ3-CG2 4.06Å; W82-V287 HydrophobicContact CH2-CG1 3.73Å; W82-V287 HydrophobicContact CZ3-CG1 3.6Å
83K98.4Very high98.1Very high132 Ų13253.8 Ų53.857%0.57427%0.267SS*.THydrogen-bonded Turntrans-60.3-17.8171-60.4-179.7179-179.10112.5N81 N85 E86 N87 D152N81-K83 PolarHBondContact O-N 3.13Å; K83-N85 PolarHBondContact O-N 3.22Å; K83-E86 PolarHBondContact O-N 3.1Å; K83-N87 VanDerWaalsContact O-CB 3.24Å; K83-N87 WeakPolarHBondContact O-CB 3.37Å; K83-N87 PolarHBondContact O-N 3.2Å; K83-D152 PolarHBondContact N-O 2.98Å; K83-D152 VanDerWaalsContact N-O 3.1Å
84A98.6Very high98.1Very high0 Ų055.8 Ų55.80%028%0.278CS..Hα-helixtrans-54.8-35170.300000112.6W82 E86 N87 W88 D152 V203W82-A84 HydrophobicContact CB-CB 4.25Å; W82-A84 HydrophobicContact CE3-CB 4.28Å; W82-A84 PolarHBondContact O-N 2.71Å; A84-E86 PolarHBondContact O-N 3.03Å; A84-E86 VanDerWaalsContact O-N 3.17Å; A84-N87 PolarHBondContact O-N 3.03Å; A84-W88 HydrophobicContact CB-CD2 3.56Å; A84-W88 HydrophobicContact CB-CE3 3.86Å; A84-W88 HydrophobicContact CB-CG 3.88Å; A84-W88 HydrophobicContact CB-CH2 4.39Å; A84-W88 HydrophobicContact CB-CZ2 4.13Å; A84-W88 HydrophobicContact CB-CZ3 4.26Å; A84-W88 VanDerWaalsContact O-CB 3.26Å; A84-W88 WeakPolarHBondContact O-CB 3.29Å; A84-W88 PolarHBondContact O-N 2.87Å; A84-D152 HydrophobicContact CB-CB 4.14Å; A84-D152 WeakPolarHBondContact CB-O 3.23Å; A84-D152 PolarHBondContact N-O 2.94Å; A84-V203 HydrophobicContact CB-CG1 3.95Å; A84-V203 HydrophobicContact CB-CG2 4.13Å; A84-V203 WeakPolarHBondContact O-CG1 3.46Å
85N97.9Very high98Very high50 Ų5064.4 Ų64.427%0.26732%0.315SS..Hα-helixtrans-57-33.9179.3-65.1-30.3000112.1Q79 W82 K83 K204Q79-N85 PolarHBondContact O-ND2 3.23Å; W82-N85 WeakPolarHBondContact O-CB 3.36Å; W82-N85 PolarHBondContact O-N 3.21Å; W82-N85 PolarHBondContact O-ND2 2.93Å; K83-N85 PolarHBondContact O-N 3.22Å; N85-K204 WeakPolarHBondContact O-CE 3.23Å; N85-K204 PolarHBondContact O-NZ 3.07Å
86E97.9Very high98Very high146 Ų14668.4 Ų68.468%0.68233%0.333SS*.Hα-helixtrans-92.9-51.5174.1-62.8168.1-163.600111.9K83 A84 W88 L92K83-E86 PolarHBondContact O-N 3.1Å; A84-E86 PolarHBondContact O-N 3.03Å; A84-E86 VanDerWaalsContact O-N 3.17Å; E86-W88 PolarHBondContact O-N 3.13Å; E86-L92 WeakPolarHBondContact O-CD1 3.32Å
87N98.4Very high98Very high48 Ų4865.2 Ų65.226%0.25732%0.318SS..Hα-helixtrans-71.7-28.7-168.8-76.2-24.4000114K83 A84 T89 L92 D152K83-N87 VanDerWaalsContact O-CB 3.24Å; K83-N87 WeakPolarHBondContact O-CB 3.37Å; K83-N87 PolarHBondContact O-N 3.2Å; A84-N87 PolarHBondContact O-N 3.03Å; N87-T89 VanDerWaalsContact C-N 3.29Å; N87-T89 PolarHBondContact O-N 2.99Å; N87-T89 VanDerWaalsContact O-N 3.13Å; N87-L92 WeakPolarHBondContact O-CB 3.36Å; N87-D152 PolarHBondContact ND2-OD1 3.4Å
88W98.6Very high98Very high1 Ų165.2 Ų65.20%0.00432%0.315CS..  trans-92.465-174.1-65.27.3000110.6A84 E86 L93 L149 D152 Y153 F178 V203 K204 I285 V287A84-W88 HydrophobicContact CB-CD2 3.56Å; A84-W88 HydrophobicContact CB-CE3 3.86Å; A84-W88 HydrophobicContact CB-CG 3.88Å; A84-W88 HydrophobicContact CB-CH2 4.39Å; A84-W88 HydrophobicContact CB-CZ2 4.13Å; A84-W88 HydrophobicContact CB-CZ3 4.26Å; A84-W88 VanDerWaalsContact O-CB 3.26Å; A84-W88 WeakPolarHBondContact O-CB 3.29Å; A84-W88 PolarHBondContact O-N 2.87Å; E86-W88 PolarHBondContact O-N 3.13Å; W88-L93 HydrophobicContact CB-CD1 4.42Å; W88-L93 HydrophobicContact CG-CD2 4.43Å; W88-L149 HydrophobicContact CZ2-CB 4.47Å; W88-L149 HydrophobicContact CZ2-CD2 4.03Å; W88-D152 HydrophobicContact CZ2-CB 4Å; W88-D152 VanDerWaalsContact NE1-CB 3.3Å; W88-D152 PolarHBondContact NE1-OD2 3.08Å; W88-Y153 AromaticContact CH2-CD1 3.99Å; W88-Y153 HydrophobicContact CH2-CD1 3.99Å; W88-Y153 HydrophobicContact CZ2-CD1 4.04Å; W88-F178 HydrophobicContact CD2-CE2 4.14Å; W88-F178 HydrophobicContact CE3-CE2 4.06Å; W88-F178 HydrophobicContact CH2-CD2 4.06Å; W88-F178 HydrophobicContact CH2-CE2 4.25Å; W88-F178 HydrophobicContact CZ2-CD2 4.3Å; W88-F178 HydrophobicContact CZ2-CE2 4.33Å; W88-F178 HydrophobicContact CZ3-CD2 4.22Å; W88-F178 HydrophobicContact CZ3-CE2 4.11Å; W88-V203 HydrophobicContact CB-CG1 4.25Å; W88-V203 HydrophobicContact CE3-CB 4.01Å; W88-V203 HydrophobicContact CE3-CG1 4.23Å; W88-V203 HydrophobicContact CE3-CG2 3.73Å; W88-V203 HydrophobicContact CZ3-CG2 3.83Å; W88-K204 WeakPolarHBondContact O-CG 3.32Å; W88-I285 HydrophobicContact CB-CD1 4.47Å; W88-I285 HydrophobicContact CB-CG2 4.17Å; W88-I285 HydrophobicContact CD2-CG2 4.23Å; W88-I285 HydrophobicContact CE3-CG2 3.67Å; W88-I285 HydrophobicContact CG-CG2 4.48Å; W88-I285 HydrophobicContact CZ3-CG2 4.44Å; W88-I285 VanDerWaalsContact O-CD1 3.27Å; W88-I285 WeakPolarHBondContact O-CD1 2.99Å; W88-V287 HydrophobicContact CH2-CB 3.9Å; W88-V287 HydrophobicContact CH2-CG1 3.87Å; W88-V287 HydrophobicContact CZ3-CB 4.1Å; W88-V287 HydrophobicContact CZ3-CG1 4.01Å
89T98.4Very high98Very high50 Ų5068 Ų6831%0.30733%0.328SS..SBendtrans-110153164.262.70000109.4N87 K91 L92 L93N87-T89 VanDerWaalsContact C-N 3.29Å; N87-T89 PolarHBondContact O-N 2.99Å; N87-T89 VanDerWaalsContact O-N 3.13Å; T89-K91 PolarHBondContact O-N 3.15Å; T89-L92 PolarHBondContact O-N 3.22Å; T89-L92 VanDerWaalsContact O-N 3.13Å; T89-L92 WeakPolarHBondContact OG1-CB 3.35Å; T89-L92 WeakPolarHBondContact OG1-CG 3.39Å; T89-L92 PolarHBondContact OG1-N 2.92Å; T89-L93 WeakPolarHBondContact O-CB 3.48Å; T89-L93 WeakPolarHBondContact O-CG 3.48Å; T89-L93 PolarHBondContact O-N 3.3Å
90L98.2Very high98Very high36 Ų3668.7 Ų68.719%0.18833%0.331CS..Hα-helixtrans-52.6-41.3177.7-56-178.2000111.9D94 I121 M124 M180 D283 I285L90-D94 WeakPolarHBondContact O-CB 3.41Å; L90-D94 PolarHBondContact O-N 3.09Å; L90-I121 HydrophobicContact CB-CD1 4.48Å; L90-I121 HydrophobicContact CB-CG2 4.31Å; L90-I121 HydrophobicContact CD2-CG1 4.45Å; L90-I121 WeakPolarHBondContact O-CD1 3.37Å; L90-M124 HydrophobicContact CD2-CE 4.04Å; L90-M124 HydrophobicContact CD2-SD 4.45Å; L90-M180 HydrophobicContact CD2-CE 3.34Å; L90-D283 WeakPolarHBondContact CD1-OD2 3.16Å; L90-I285 HydrophobicContact CD2-CD1 4.34Å
91K98.2Very high98.2Very high180 Ų18071.8 Ų71.878%0.78334%0.337SS*.Hα-helixtrans-62.6-46.4178.9-175.2177.6180179.20112.5T89 K95T89-K91 PolarHBondContact O-N 3.15Å; K91-K95 WeakPolarHBondContact O-CB 3.35Å; K91-K95 PolarHBondContact O-N 3.24Å
92L98.4Very high98.3Very high69 Ų6964.9 Ų64.936%0.36130%0.3SS..Hα-helixtrans-77.6-36.1-178.3-67.2178.1000112.4E86 N87 T89 K95 K96E86-L92 WeakPolarHBondContact O-CD1 3.32Å; N87-L92 WeakPolarHBondContact O-CB 3.36Å; T89-L92 PolarHBondContact O-N 3.22Å; T89-L92 VanDerWaalsContact O-N 3.13Å; T89-L92 WeakPolarHBondContact OG1-CB 3.35Å; T89-L92 WeakPolarHBondContact OG1-CG 3.39Å; T89-L92 PolarHBondContact OG1-N 2.92Å; L92-K95 PolarHBondContact O-N 3.17Å; L92-K96 WeakPolarHBondContact O-CB 3.44Å; L92-K96 PolarHBondContact O-N 2.98Å
93L98.5Very high98.3Very high1 Ų165 Ų651%0.00530%0.3CS..Hα-helixtrans-65.3-41.2173.8-70176.9000111.8W88 T89 Y97 M117 I121 L149 F178 M180 I285W88-L93 HydrophobicContact CB-CD1 4.42Å; W88-L93 HydrophobicContact CG-CD2 4.43Å; T89-L93 WeakPolarHBondContact O-CB 3.48Å; T89-L93 WeakPolarHBondContact O-CG 3.48Å; T89-L93 PolarHBondContact O-N 3.3Å; L93-Y97 HydrophobicContact CD2-CD2 3.83Å; L93-Y97 HydrophobicContact CD2-CE2 3.78Å; L93-Y97 WeakPolarHBondContact O-CA 3.28Å; L93-Y97 WeakPolarHBondContact O-CB 3.26Å; L93-Y97 PolarHBondContact O-N 3.32Å; L93-M117 HydrophobicContact CB-CE 4.48Å; L93-I121 HydrophobicContact CB-CD1 4.47Å; L93-L149 HydrophobicContact CD2-CD2 4.25Å; L93-F178 HydrophobicContact CD1-CZ 4.15Å; L93-M180 HydrophobicContact CD1-CE 4.48Å; L93-M180 HydrophobicContact CD1-SD 3.98Å; L93-I285 HydrophobicContact CD1-CD1 3.74Å; L93-I285 HydrophobicContact CD1-CG2 4.37Å
94D98.1Very high98.3Very high43 Ų4358.9 Ų58.923%0.2327%0.274CS..Hα-helixtrans-63-50.7170.8-16844.1000110.5L90 K96 Y97 H98 K118 I121L90-D94 WeakPolarHBondContact O-CB 3.41Å; L90-D94 PolarHBondContact O-N 3.09Å; D94-K96 VanDerWaalsContact C-N 3.33Å; D94-K96 PolarHBondContact O-N 3.36Å; D94-Y97 PolarHBondContact O-N 3.12Å; D94-H98 VanDerWaalsContact CG-ND1 3.32Å; D94-H98 WeakPolarHBondContact O-CA 3.35Å; D94-H98 WeakPolarHBondContact O-CB 3.43Å; D94-H98 PolarHBondContact O-N 2.86Å; D94-H98 IonicContact OD1-CE1 3.33Å; D94-H98 IonicContact OD1-CG 3.79Å; D94-H98 IonicContact OD1-ND1 3.86Å; D94-H98 PolarHBondContact OD1-ND1 2.98Å; D94-H98 IonicContact OD2-CE1 2.69Å; D94-H98 IonicContact OD2-ND1 2.62Å; D94-H98 PolarHBondContact OD2-ND1 2.85Å; D94-H98 VanDerWaalsContact OD2-ND1 3.08Å; D94-K118 VanDerWaalsContact OD1-CA 3.26Å; D94-K118 WeakPolarHBondContact OD1-CA 3.24Å; D94-K118 VanDerWaalsContact OD1-CB 3.22Å; D94-K118 WeakPolarHBondContact OD1-CB 3.49Å; D94-K118 PolarHBondContact OD1-N 2.99Å; D94-I121 HydrophobicContact CB-CD1 3.8Å
95K98.1Very high98.3Very high180 Ų18059.4 Ų59.478%0.78328%0.28SS*.Hα-helixtrans-55.5-44179.3-172.9178.3179.1-1790113.2K91 L92K91-K95 WeakPolarHBondContact O-CB 3.35Å; K91-K95 PolarHBondContact O-N 3.24Å; L92-K95 PolarHBondContact O-N 3.17Å
96K98.1Very high98.2Very high85 Ų8558.4 Ų58.437%0.3727%0.274SS..Hα-helixtrans-79.5-33.7-175.6-168.1176.3178.2-174.20112.7L92 D94 D152L92-K96 WeakPolarHBondContact O-CB 3.44Å; L92-K96 PolarHBondContact O-N 2.98Å; D94-K96 VanDerWaalsContact C-N 3.33Å; D94-K96 PolarHBondContact O-N 3.36Å; K96-D152 IonicContact NZ-OD1 3.32Å; K96-D152 PolarHBondContact NZ-OD1 3.25Å; K96-D152 IonicContact NZ-OD2 2.78Å; K96-D152 PolarHBondContact NZ-OD2 2.88Å
97Y98.5Very high98.1Very high4 Ų452.9 Ų52.92%0.01625%0.249CC..Hα-helixtrans-126.814.3-170.8-54.3-63.5000114.8L93 D94 N99 E100 F102 M117 K148 L149L93-Y97 HydrophobicContact CD2-CD2 3.83Å; L93-Y97 HydrophobicContact CD2-CE2 3.78Å; L93-Y97 WeakPolarHBondContact O-CA 3.28Å; L93-Y97 WeakPolarHBondContact O-CB 3.26Å; L93-Y97 PolarHBondContact O-N 3.32Å; D94-Y97 PolarHBondContact O-N 3.12Å; Y97-N99 PolarHBondContact O-N 2.82Å; Y97-E100 HydrophobicContact CD1-CG 4.18Å; Y97-E100 WeakPolarHBondContact O-CB 3.15Å; Y97-E100 PolarHBondContact O-N 3.12Å; Y97-F102 HydrophobicContact CG-CZ 4.35Å; Y97-M117 VanDerWaalsContact O-CB 3.3Å; Y97-M117 WeakPolarHBondContact O-CB 3.33Å; Y97-K148 HydrophobicContact CE1-CB 4.48Å; Y97-L149 HydrophobicContact CE2-CD2 3.55Å; Y97-L149 HydrophobicContact CE2-CG 3.98Å; Y97-L149 WeakPolarHBondContact OH-CG 3.18Å; Y97-L149 PolarHBondContact OH-N 3.32Å
98H98.2Very high97.9Very high70 Ų7056.8 Ų56.832%0.32427%0.27SS..THydrogen-bonded Turntrans-35.6-45.5-174.7-168.170000115.5D94 K118D94-H98 VanDerWaalsContact CG-ND1 3.32Å; D94-H98 WeakPolarHBondContact O-CA 3.35Å; D94-H98 WeakPolarHBondContact O-CB 3.43Å; D94-H98 PolarHBondContact O-N 2.86Å; D94-H98 IonicContact OD1-CE1 3.33Å; D94-H98 IonicContact OD1-CG 3.79Å; D94-H98 IonicContact OD1-ND1 3.86Å; D94-H98 PolarHBondContact OD1-ND1 2.98Å; D94-H98 IonicContact OD2-CE1 2.69Å; D94-H98 IonicContact OD2-ND1 2.62Å; D94-H98 PolarHBondContact OD2-ND1 2.85Å; D94-H98 VanDerWaalsContact OD2-ND1 3.08Å; H98-K118 PolarHBondContact CD2-NZ 3.02Å; H98-K118 WeakPolarHBondContact CE1-CD 3.34Å; H98-K118 WeakPolarHBondContact ND1-CB 3.32Å; H98-K118 WeakPolarHBondContact NE2-CD 3.41Å; H98-K118 PolarHBondContact NE2-NZ 2.87Å; H98-K118 WeakPolarHBondContact O-CD 3.19Å; H98-K118 WeakPolarHBondContact O-CG 3.34Å; H98-K118 PolarHBondContact O-N 2.93Å
99N98.3Very high97.7Very high74 Ų7465.7 Ų65.740%0.39631%0.308SS..THydrogen-bonded Turntrans-105-4.5-175.1-79.2-53000114.5Y97 K116 K118Y97-N99 PolarHBondContact O-N 2.82Å; N99-K116 WeakPolarHBondContact O-CE 3.1Å; N99-K116 PolarHBondContact OD1-NZ 3.34Å; N99-K118 PolarHBondContact OD1-NZ 3.17Å; N99-K118 VanDerWaalsContact OD1-NZ 3.12Å
100E98.4Very high97.5Very high19 Ų1965.1 Ų65.19%0.08931%0.312CS..  trans-75.5143176.3-54.5-55.9126.700110Y97 F102 K116 M117 H143 R145 R146Y97-E100 HydrophobicContact CD1-CG 4.18Å; Y97-E100 WeakPolarHBondContact O-CB 3.15Å; Y97-E100 PolarHBondContact O-N 3.12Å; E100-F102 HydrophobicContact CB-CE2 3.99Å; E100-K116 VanDerWaalsContact O-CA 3.28Å; E100-K116 WeakPolarHBondContact O-CA 3.4Å; E100-M117 PolarHBondContact O-N 2.96Å; E100-H143 IonicContact OE2-CE1 3.97Å; E100-H143 PolarHBondContact OE2-CE1 2.88Å; E100-H143 IonicContact OE2-ND1 2.72Å; E100-R145 VanDerWaalsContact CD-CD 3.47Å; E100-R145 HydrophobicContact CG-CB 4.42Å; E100-R145 WeakPolarHBondContact OE1-CD 3.3Å; E100-R145 IonicContact OE1-CZ 3.73Å; E100-R145 IonicContact OE1-NE 3.58Å; E100-R145 IonicContact OE1-NH1 3.17Å; E100-R145 PolarHBondContact OE1-NH1 3.37Å; E100-R146 HydrophobicContact CB-CG 4.08Å; E100-R146 HydrophobicContact CG-CG 4.37Å
101R98.3Very high97.4Very high160 Ų16066.7 Ų66.760%0.60433%0.326SS*.EExtended strand (participates in β ladder)trans-93.9140.5179.3-67.1-177.1-178.5173.72.1110.6K114 L115 K116 R146R101-K114 HydrophobicContact CB-CB 4.06Å; R101-L115 CarbonylContact C-O 3.56Å; R101-L115 WeakPolarHBondContact CA-O 3.23Å; R101-K116 HydrophobicContact CG-CG 3.99Å; R101-R146 WeakPolarHBondContact O-CD 3.45Å; R101-R146 PolarHBondContact O-NH1 2.92Å
102F98.7Very high97.3Very high1 Ų160.5 Ų60.50%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-126.6143.1174.1-70.3-100000110.1Y97 E100 K114 L115 M117 I135 D137 R146 L149 F178Y97-F102 HydrophobicContact CG-CZ 4.35Å; E100-F102 HydrophobicContact CB-CE2 3.99Å; F102-K114 CarbonylContact O-C 3.18Å; F102-K114 WeakPolarHBondContact O-CA 3.45Å; F102-K114 WeakPolarHBondContact O-CB 3.46Å; F102-L115 PolarHBondContact N-O 2.9Å; F102-L115 PolarHBondContact O-N 2.78Å; F102-M117 HydrophobicContact CD2-CB 4.47Å; F102-M117 HydrophobicContact CD2-CE 3.89Å; F102-M117 HydrophobicContact CE1-CE 4.49Å; F102-M117 HydrophobicContact CE2-CB 4.39Å; F102-M117 HydrophobicContact CE2-CE 3.65Å; F102-M117 HydrophobicContact CG-CE 4.43Å; F102-M117 HydrophobicContact CZ-CE 3.97Å; F102-I135 HydrophobicContact CB-CD1 3.76Å; F102-I135 HydrophobicContact CB-CG1 4.02Å; F102-I135 HydrophobicContact CB-CG2 4.05Å; F102-I135 HydrophobicContact CD1-CG2 4.37Å; F102-I135 HydrophobicContact CG-CD1 4.3Å; F102-D137 WeakPolarHBondContact CA-OD2 3.48Å; F102-D137 HydrophobicContact CD1-CB 4.05Å; F102-R146 HydrophobicContact CE1-CG 4.44Å; F102-R146 HydrophobicContact CE2-CG 4.44Å; F102-R146 HydrophobicContact CZ-CB 4.47Å; F102-R146 HydrophobicContact CZ-CG 3.99Å; F102-L149 HydrophobicContact CE1-CD1 3.93Å; F102-L149 HydrophobicContact CZ-CD1 4.28Å; F102-F178 HydrophobicContact CD1-CD1 4.14Å; F102-F178 HydrophobicContact CE1-CD1 4.08Å; F102-F178 HydrophobicContact CE1-CE1 4.42Å
103K98.6Very high97.3Very high15 Ų1557.2 Ų57.27%0.06529%0.288CS..EExtended strand (participates in β ladder)trans-65.9128.9176.1179.4-177.1162.5-176.50110E106 V113 K114 I135 F136 D137 S351 S352K103-E106 WeakPolarHBondContact CE-OE1 3.45Å; K103-E106 IonicContact NZ-OE1 3.1Å; K103-E106 PolarHBondContact NZ-OE1 3.07Å; K103-V113 CarbonylContact C-O 3.56Å; K103-V113 WeakPolarHBondContact CA-O 3.42Å; K103-K114 HydrophobicContact CB-CG 4.45Å; K103-I135 VanDerWaalsContact O-CA 3.3Å; K103-I135 WeakPolarHBondContact O-CA 3.37Å; K103-F136 WeakPolarHBondContact CD-O 3.42Å; K103-F136 PolarHBondContact O-N 2.69Å; K103-D137 HydrophobicContact CB-CB 4.21Å; K103-D137 WeakPolarHBondContact CB-OD2 3.45Å; K103-D137 PolarHBondContact N-OD2 3.03Å; K103-S351 WeakPolarHBondContact CE-O 3.15Å; K103-S351 PolarHBondContact NZ-O 3.16Å; K103-S352 PolarHBondContact NZ-OG 2.99Å
104C98.3Very high97.3Very high4 Ų460.9 Ų60.93%0.02730%0.304CS..EExtended strand (participates in β ladder)trans-135.12817965.80000112.6V113 F120 Y134 I135C104-V113 PolarHBondContact N-O 2.8Å; C104-F120 HydrophobicContact CB-CD2 4.42Å; C104-F120 HydrophobicContact CB-CE2 4.21Å; C104-Y134 WeakPolarHBondContact CA-O 3.32Å; C104-I135 HydrophobicContact CB-CG1 4.35Å
105G97.3Very high97.3Very high11 Ų1159.2 Ų59.211%0.11330%0.295CS..EExtended strand (participates in β ladder)trans152.2176.3-177.300000112.4V113G105-V113 PolarHBondContact O-N 2.87Å
106E96.7Very high97.4Very high30 Ų3053.4 Ų53.414%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-128.2151.7165.8-70.1167.3168.400108.1A18 K103 C111 S351 S352A18-E106 WeakPolarHBondContact CA-O 3.26Å; K103-E106 WeakPolarHBondContact CE-OE1 3.45Å; K103-E106 IonicContact NZ-OE1 3.1Å; K103-E106 PolarHBondContact NZ-OE1 3.07Å; E106-C111 CarbonylContact C-O 3.58Å; E106-C111 WeakPolarHBondContact CA-O 3.39Å; E106-S351 VanDerWaalsContact CD-C 3.44Å; E106-S351 PolarHBondContact N-OG 2.93Å; E106-S351 VanDerWaalsContact OE2-CA 3.23Å; E106-S351 WeakPolarHBondContact OE2-CA 3.3Å; E106-S352 PolarHBondContact OE2-N 2.7Å
107D96Very high97.4Very high29 Ų2949.3 Ų49.316%0.15525%0.252CS..  trans-91175.517258.540.1000112.4R17 K109 G110 C111 V113R17-D107 HydrophobicContact CB-CB 4.33Å; R17-D107 IonicContact CZ-OD2 2.71Å; R17-D107 IonicContact NE-OD2 3.1Å; R17-D107 PolarHBondContact NE-OD2 2.88Å; R17-D107 IonicContact NH2-OD2 3.3Å; R17-D107 PolarHBondContact NH2-OD2 2.98Å; R17-D107 WeakPolarHBondContact O-CA 3.5Å; R17-D107 WeakPolarHBondContact O-CB 3.34Å; D107-K109 PolarHBondContact O-N 3.2Å; D107-K109 PolarHBondContact OD1-N 3.26Å; D107-G110 WeakPolarHBondContact O-CA 3.45Å; D107-G110 PolarHBondContact O-N 2.85Å; D107-C111 PolarHBondContact N-O 2.85Å; D107-C111 VanDerWaalsContact OD1-CB 3.26Å; D107-C111 WeakPolarHBondContact OD1-CB 3.16Å; D107-C111 PolarHBondContact OD1-N 2.52Å; D107-V113 HydrophobicContact CB-CG2 4.23Å
108D94.3Very high97.4Very high131 Ų13151.6 Ų51.670%0.70126%0.262SS*.THydrogen-bonded Turntrans-55.4-16.4-176.7-44.4-46.1000113.8S20S20-D108 WeakPolarHBondContact CB-OD1 3.4Å; S20-D108 PolarHBondContact OG-OD1 3.3Å; S20-D108 PolarHBondContact OG-OD2 3.28Å
109K94.9Very high97.4Very high187 Ų18749.8 Ų49.881%0.81325%0.252SS*.THydrogen-bonded Turntrans-98.79.4177.2-57.9-177.2-178.8-178.10112.8D107 C111D107-K109 PolarHBondContact O-N 3.2Å; D107-K109 PolarHBondContact OD1-N 3.26Å; K109-C111 PolarHBondContact O-N 3.11Å
110G93.1Very high97.4Very high38 Ų3846.3 Ų46.339%0.39223%0.234SC..SBendtrans69.110.7-173.300000114.2D107D107-G110 WeakPolarHBondContact O-CA 3.45Å; D107-G110 PolarHBondContact O-N 2.85Å
111C95.9Very high97.4Very high70 Ų7046 Ų4647%0.47323%0.232SC..PPolyproline II helixtrans-82.5133.7-178.1-65.90000110.3E106 D107 K109 V113E106-C111 CarbonylContact C-O 3.58Å; E106-C111 WeakPolarHBondContact CA-O 3.39Å; D107-C111 PolarHBondContact N-O 2.85Å; D107-C111 VanDerWaalsContact OD1-CB 3.26Å; D107-C111 WeakPolarHBondContact OD1-CB 3.16Å; D107-C111 PolarHBondContact OD1-N 2.52Å; K109-C111 PolarHBondContact O-N 3.11Å; C111-V113 PolarHBondContact O-N 3.02Å
112S97Very high97.4Very high49 Ų4943.9 Ų43.934%0.34323%0.225SC..EExtended strand (participates in β ladder)trans-60.4125.9-176.9-53.30000112.7R17R17-S112 PolarHBondContact NH2-O 3.25Å
113V98.2Very high97.4Very high1 Ų144.1 Ų44.11%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-83.4128.3166.5-176.50000107.7A14 R17 A18 K103 C104 G105 D107 C111A14-V113 HydrophobicContact CB-CG1 3.9Å; R17-V113 HydrophobicContact CB-CG1 4.29Å; R17-V113 HydrophobicContact CB-CG2 3.65Å; A18-V113 HydrophobicContact CB-CB 4.33Å; A18-V113 HydrophobicContact CB-CG1 4.32Å; A18-V113 HydrophobicContact CB-CG2 4.19Å; K103-V113 CarbonylContact C-O 3.56Å; K103-V113 WeakPolarHBondContact CA-O 3.42Å; C104-V113 PolarHBondContact N-O 2.8Å; G105-V113 PolarHBondContact O-N 2.87Å; D107-V113 HydrophobicContact CB-CG2 4.23Å; C111-V113 PolarHBondContact O-N 3.02Å
114K98.4Very high97.4Very high78 Ų7843.9 Ų43.934%0.33923%0.225SC..EExtended strand (participates in β ladder)trans-134.3132.1-175.2-50.5-166175.2-1750112.7R101 F102 K103R101-K114 HydrophobicContact CB-CB 4.06Å; F102-K114 CarbonylContact O-C 3.18Å; F102-K114 WeakPolarHBondContact O-CA 3.45Å; F102-K114 WeakPolarHBondContact O-CB 3.46Å; K103-K114 HydrophobicContact CB-CG 4.45Å
115L98.5Very high97.4Very high7 Ų750.8 Ų50.84%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-107.1154.4171.9-78.3172.2000111.1R10 I11 A14 R101 F102 F120 L133R10-L115 HydrophobicContact CB-CD2 4.31Å; I11-L115 HydrophobicContact CD1-CD1 3.66Å; I11-L115 HydrophobicContact CD1-CD2 4.05Å; A14-L115 HydrophobicContact CB-CD1 3.85Å; A14-L115 HydrophobicContact CB-CD2 3.77Å; A14-L115 HydrophobicContact CB-CG 3.72Å; R101-L115 CarbonylContact C-O 3.56Å; R101-L115 WeakPolarHBondContact CA-O 3.23Å; F102-L115 PolarHBondContact N-O 2.9Å; F102-L115 PolarHBondContact O-N 2.78Å; L115-F120 HydrophobicContact CB-CB 4.5Å; L115-F120 HydrophobicContact CD1-CD2 4.18Å; L115-L133 HydrophobicContact CD1-CD1 4.11Å
116K98.6Very high97.4Very high58 Ų5855 Ų5525%0.25227%0.271SS..EExtended strand (participates in β ladder)trans-73.4143.3167.8-74.3-173.2161.7-160.10109.4N99 E100 R101 K118 Y119 F120N99-K116 WeakPolarHBondContact O-CE 3.1Å; N99-K116 PolarHBondContact OD1-NZ 3.34Å; E100-K116 VanDerWaalsContact O-CA 3.28Å; E100-K116 WeakPolarHBondContact O-CA 3.4Å; R101-K116 HydrophobicContact CG-CG 3.99Å; K116-K118 VanDerWaalsContact C-N 3.25Å; K116-K118 HydrophobicContact CB-CG 4.3Å; K116-K118 PolarHBondContact O-N 3Å; K116-K118 VanDerWaalsContact O-N 3.13Å; K116-Y119 HydrophobicContact CB-CD2 3.82Å; K116-Y119 HydrophobicContact CB-CE2 4.25Å; K116-Y119 HydrophobicContact CD-CE2 4.23Å; K116-Y119 HydrophobicContact CG-CD2 4.44Å; K116-Y119 HydrophobicContact CG-CE2 4.47Å; K116-Y119 PolarHBondContact O-N 3.1Å; K116-F120 PolarHBondContact O-N 2.86Å; K116-F120 VanDerWaalsContact O-N 3.1Å
117M98.7Very high97.4Very high0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-46-48-178.7-176.654.680.500112.6L93 Y97 E100 F102 Y119 F120 I121 I135 F178 M180L93-M117 HydrophobicContact CB-CE 4.48Å; Y97-M117 VanDerWaalsContact O-CB 3.3Å; Y97-M117 WeakPolarHBondContact O-CB 3.33Å; E100-M117 PolarHBondContact O-N 2.96Å; F102-M117 HydrophobicContact CD2-CB 4.47Å; F102-M117 HydrophobicContact CD2-CE 3.89Å; F102-M117 HydrophobicContact CE1-CE 4.49Å; F102-M117 HydrophobicContact CE2-CB 4.39Å; F102-M117 HydrophobicContact CE2-CE 3.65Å; F102-M117 HydrophobicContact CG-CE 4.43Å; F102-M117 HydrophobicContact CZ-CE 3.97Å; M117-Y119 VanDerWaalsContact C-N 3.31Å; M117-Y119 PolarHBondContact O-N 3.4Å; M117-F120 PolarHBondContact O-N 3.47Å; M117-I121 HydrophobicContact CG-CD1 3.69Å; M117-I121 HydrophobicContact CG-CG1 4.35Å; M117-I121 PolarHBondContact O-N 2.85Å; M117-I121 HydrophobicContact SD-CD1 3.53Å; M117-I121 VanDerWaalsContact SD-CD1 3.53Å; M117-I121 HydrophobicContact SD-CG1 3.79Å; M117-I135 HydrophobicContact CE-CD1 4.44Å; M117-F178 HydrophobicContact CE-CE1 4.42Å; M117-M180 HydrophobicContact CE-SD 4.11Å; M117-M180 HydrophobicContact SD-CE 4.17Å; M117-M180 HydrophobicContact SD-SD 4.11Å
118K98.4Very high97.4Very high51 Ų5159.5 Ų59.522%0.22229%0.292CS..Hα-helixtrans-58.7-33.9177.873.8-170.4-175.5-172.50116.2D94 H98 N99 K116 R122D94-K118 VanDerWaalsContact OD1-CA 3.26Å; D94-K118 WeakPolarHBondContact OD1-CA 3.24Å; D94-K118 VanDerWaalsContact OD1-CB 3.22Å; D94-K118 WeakPolarHBondContact OD1-CB 3.49Å; D94-K118 PolarHBondContact OD1-N 2.99Å; H98-K118 PolarHBondContact CD2-NZ 3.02Å; H98-K118 WeakPolarHBondContact CE1-CD 3.34Å; H98-K118 WeakPolarHBondContact ND1-CB 3.32Å; H98-K118 WeakPolarHBondContact NE2-CD 3.41Å; H98-K118 PolarHBondContact NE2-NZ 2.87Å; H98-K118 WeakPolarHBondContact O-CD 3.19Å; H98-K118 WeakPolarHBondContact O-CG 3.34Å; H98-K118 PolarHBondContact O-N 2.93Å; N99-K118 PolarHBondContact OD1-NZ 3.17Å; N99-K118 VanDerWaalsContact OD1-NZ 3.12Å; K116-K118 VanDerWaalsContact C-N 3.25Å; K116-K118 HydrophobicContact CB-CG 4.3Å; K116-K118 PolarHBondContact O-N 3Å; K116-K118 VanDerWaalsContact O-N 3.13Å; K118-R122 WeakPolarHBondContact O-CB 3.3Å; K118-R122 PolarHBondContact O-N 2.89Å
119Y98.6Very high97.6Very high33 Ų3353.6 Ų53.613%0.12926%0.26CS..Hα-helixtrans-77.6-35.7177.2-61.8-39.1000109.9Y7 R10 K116 M117 Y123Y7-Y119 AromaticContact CD2-CD1 3.93Å; Y7-Y119 HydrophobicContact CD2-CD1 3.93Å; Y7-Y119 HydrophobicContact CD2-CG 4.47Å; R10-Y119 HydrophobicContact CB-CD2 4.15Å; R10-Y119 HydrophobicContact CB-CE2 4.3Å; R10-Y119 HydrophobicContact CG-CD2 4.35Å; R10-Y119 HydrophobicContact CG-CE2 4Å; K116-Y119 HydrophobicContact CB-CD2 3.82Å; K116-Y119 HydrophobicContact CB-CE2 4.25Å; K116-Y119 HydrophobicContact CD-CE2 4.23Å; K116-Y119 HydrophobicContact CG-CD2 4.44Å; K116-Y119 HydrophobicContact CG-CE2 4.47Å; K116-Y119 PolarHBondContact O-N 3.1Å; M117-Y119 VanDerWaalsContact C-N 3.31Å; M117-Y119 PolarHBondContact O-N 3.4Å; Y119-Y123 VanDerWaalsContact O-CB 3.25Å; Y119-Y123 WeakPolarHBondContact O-CB 3.2Å; Y119-Y123 PolarHBondContact O-N 2.93Å
120F98.7Very high97.7Very high0 Ų044.7 Ų44.70%022%0.221CC..Hα-helixtrans-69.6-45176.6-166.1-97.9000112.5C104 L115 K116 M117 R122 Y123 M124 L133 I135 M180C104-F120 HydrophobicContact CB-CD2 4.42Å; C104-F120 HydrophobicContact CB-CE2 4.21Å; L115-F120 HydrophobicContact CB-CB 4.5Å; L115-F120 HydrophobicContact CD1-CD2 4.18Å; K116-F120 PolarHBondContact O-N 2.86Å; K116-F120 VanDerWaalsContact O-N 3.1Å; M117-F120 PolarHBondContact O-N 3.47Å; F120-R122 VanDerWaalsContact C-N 3.33Å; F120-R122 PolarHBondContact O-N 3.13Å; F120-Y123 HydrophobicContact CD2-CD1 4.3Å; F120-Y123 HydrophobicContact CE2-CD1 4.19Å; F120-Y123 HydrophobicContact CE2-CE1 4.45Å; F120-Y123 CarbonylContact O-C 3.59Å; F120-Y123 WeakPolarHBondContact O-CB 3.37Å; F120-Y123 PolarHBondContact O-N 3.3Å; F120-Y123 VanDerWaalsContact O-N 3.14Å; F120-M124 HydrophobicContact CD1-CG 4Å; F120-M124 HydrophobicContact CD1-SD 3.66Å; F120-M124 HydrophobicContact CE1-CG 3.73Å; F120-M124 HydrophobicContact CE1-SD 3.44Å; F120-M124 WeakPolarHBondContact CE1-SD 3.33Å; F120-M124 HydrophobicContact CZ-CG 4.33Å; F120-M124 HydrophobicContact CZ-SD 4.49Å; F120-M124 WeakPolarHBondContact O-CG 3.34Å; F120-M124 PolarHBondContact O-N 3.01Å; F120-L133 HydrophobicContact CE2-CB 4.19Å; F120-L133 VanDerWaalsContact CE2-O 3.24Å; F120-L133 WeakPolarHBondContact CE2-O 3.25Å; F120-L133 WeakPolarHBondContact CZ-O 3.2Å; F120-I135 HydrophobicContact CB-CD1 4.05Å; F120-I135 HydrophobicContact CD1-CD1 3.28Å; F120-I135 HydrophobicContact CD1-CG1 3.73Å; F120-I135 HydrophobicContact CD2-CD1 4.15Å; F120-I135 HydrophobicContact CD2-CG1 3.94Å; F120-I135 HydrophobicContact CE1-CB 4.21Å; F120-I135 HydrophobicContact CE1-CD1 3.69Å; F120-I135 HydrophobicContact CE1-CG1 3.69Å; F120-I135 HydrophobicContact CE2-CG1 3.92Å; F120-I135 HydrophobicContact CG-CD1 3.54Å; F120-I135 HydrophobicContact CG-CG1 3.85Å; F120-I135 HydrophobicContact CZ-CB 4.27Å; F120-I135 HydrophobicContact CZ-CD1 4.3Å; F120-I135 HydrophobicContact CZ-CG1 3.8Å; F120-M180 HydrophobicContact CE1-CG 4.28Å; F120-M180 WeakPolarHBondContact CE1-O 3.4Å; F120-M180 WeakPolarHBondContact CZ-O 3.46Å
121I98.6Very high97.9Very high13 Ų1343.2 Ų43.27%0.06721%0.205CC..Hα-helixtrans-64.3-36.9176.4-72.3173.6000111.8L90 L93 D94 M117 K125 M180L90-I121 HydrophobicContact CB-CD1 4.48Å; L90-I121 HydrophobicContact CB-CG2 4.31Å; L90-I121 HydrophobicContact CD2-CG1 4.45Å; L90-I121 WeakPolarHBondContact O-CD1 3.37Å; L93-I121 HydrophobicContact CB-CD1 4.47Å; D94-I121 HydrophobicContact CB-CD1 3.8Å; M117-I121 HydrophobicContact CG-CD1 3.69Å; M117-I121 HydrophobicContact CG-CG1 4.35Å; M117-I121 PolarHBondContact O-N 2.85Å; M117-I121 HydrophobicContact SD-CD1 3.53Å; M117-I121 VanDerWaalsContact SD-CD1 3.53Å; M117-I121 HydrophobicContact SD-CG1 3.79Å; I121-K125 WeakPolarHBondContact O-CG 3.22Å; I121-M180 HydrophobicContact CD1-CE 4.05Å; I121-M180 HydrophobicContact CG1-CE 3.6Å
122R98.3Very high98.1Very high116 Ų11640.1 Ų40.144%0.43818%0.184SC..Hα-helixtrans-64.8-44.4172.2-174.7178.3169.8160.28.1111.1Y7 K118 F120 M124 K125 E126Y7-R122 HydrophobicContact CD2-CB 4.41Å; Y7-R122 HydrophobicContact CD2-CG 4.35Å; Y7-R122 HydrophobicContact CE1-CG 4.17Å; Y7-R122 VanDerWaalsContact CE1-NE 3.32Å; Y7-R122 HydrophobicContact CE2-CB 3.83Å; Y7-R122 HydrophobicContact CE2-CG 3.78Å; K118-R122 WeakPolarHBondContact O-CB 3.3Å; K118-R122 PolarHBondContact O-N 2.89Å; F120-R122 VanDerWaalsContact C-N 3.33Å; F120-R122 PolarHBondContact O-N 3.13Å; R122-M124 PolarHBondContact O-N 2.83Å; R122-K125 PolarHBondContact O-N 2.88Å; R122-E126 HydrophobicContact CG-CG 4.43Å; R122-E126 WeakPolarHBondContact CG-OE2 3.2Å; R122-E126 IonicContact CZ-OE1 3.01Å; R122-E126 IonicContact CZ-OE2 3.58Å; R122-E126 IonicContact NE-OE1 3.43Å; R122-E126 PolarHBondContact NE-OE1 2.93Å; R122-E126 IonicContact NE-OE2 2.77Å; R122-E126 PolarHBondContact NE-OE2 3.3Å; R122-E126 IonicContact NH2-OE1 3.68Å; R122-E126 PolarHBondContact NH2-OE1 3.25Å; R122-E126 IonicContact NH2-OE2 2.71Å; R122-E126 WeakPolarHBondContact O-CG 3.44Å; R122-E126 PolarHBondContact O-N 3.24Å
123Y98.5Very high98.1Very high5 Ų538.2 Ų38.22%0.0217%0.17CC..Hα-helixtrans-60.2-43.7176.2167.7-102.7000113Y7 I11 Y119 F120 K125 E126 N127 D129 P132 L133Y7-Y123 VanDerWaalsContact OH-CA 3.3Å; Y7-Y123 WeakPolarHBondContact OH-CA 3.41Å; Y7-Y123 PolarHBondContact OH-N 3.47Å; I11-Y123 HydrophobicContact CD1-CG 4.31Å; I11-Y123 HydrophobicContact CG2-CD2 3.81Å; I11-Y123 HydrophobicContact CG2-CE2 4.18Å; Y119-Y123 VanDerWaalsContact O-CB 3.25Å; Y119-Y123 WeakPolarHBondContact O-CB 3.2Å; Y119-Y123 PolarHBondContact O-N 2.93Å; F120-Y123 HydrophobicContact CD2-CD1 4.3Å; F120-Y123 HydrophobicContact CE2-CD1 4.19Å; F120-Y123 HydrophobicContact CE2-CE1 4.45Å; F120-Y123 CarbonylContact O-C 3.59Å; F120-Y123 WeakPolarHBondContact O-CB 3.37Å; F120-Y123 PolarHBondContact O-N 3.3Å; F120-Y123 VanDerWaalsContact O-N 3.14Å; Y123-K125 PolarHBondContact O-N 3.16Å; Y123-K125 VanDerWaalsContact O-N 3.15Å; Y123-E126 PolarHBondContact O-N 3.39Å; Y123-E126 VanDerWaalsContact O-N 3.1Å; Y123-N127 HydrophobicContact CD2-CB 3.85Å; Y123-N127 HydrophobicContact CE2-CB 3.48Å; Y123-N127 VanDerWaalsContact CE2-CB 3.48Å; Y123-N127 VanDerWaalsContact O-CB 3.32Å; Y123-N127 WeakPolarHBondContact O-CB 3.33Å; Y123-N127 PolarHBondContact O-N 2.77Å; Y123-N127 VanDerWaalsContact O-N 3.15Å; Y123-N127 PolarHBondContact O-ND2 3.32Å; Y123-D129 VanDerWaalsContact CE2-OD2 3.27Å; Y123-D129 WeakPolarHBondContact CE2-OD2 3.5Å; Y123-D129 VanDerWaalsContact CZ-OD2 3.31Å; Y123-D129 PolarHBondContact OH-OD2 3.39Å; Y123-P132 HydrophobicContact CE1-CB 4.15Å; Y123-P132 VanDerWaalsContact OH-CA 3.22Å; Y123-P132 WeakPolarHBondContact OH-CA 3.4Å; Y123-P132 WeakPolarHBondContact OH-CB 3.42Å; Y123-L133 HydrophobicContact CD1-CB 4.5Å; Y123-L133 HydrophobicContact CE1-CB 3.67Å; Y123-L133 HydrophobicContact CE1-CG 4.28Å; Y123-L133 PolarHBondContact OH-N 3.19Å
124M98.5Very high98.2Very high10 Ų1039.4 Ų39.45%0.04918%0.175CC..Hα-helixtrans-53.1-37.3176.1-73.8175.663.400112.7L90 F120 R122 N127 M180 P182 D283L90-M124 HydrophobicContact CD2-CE 4.04Å; L90-M124 HydrophobicContact CD2-SD 4.45Å; F120-M124 HydrophobicContact CD1-CG 4Å; F120-M124 HydrophobicContact CD1-SD 3.66Å; F120-M124 HydrophobicContact CE1-CG 3.73Å; F120-M124 HydrophobicContact CE1-SD 3.44Å; F120-M124 WeakPolarHBondContact CE1-SD 3.33Å; F120-M124 HydrophobicContact CZ-CG 4.33Å; F120-M124 HydrophobicContact CZ-SD 4.49Å; F120-M124 WeakPolarHBondContact O-CG 3.34Å; F120-M124 PolarHBondContact O-N 3.01Å; R122-M124 PolarHBondContact O-N 2.83Å; M124-N127 WeakPolarHBondContact CA-ND2 3.38Å; M124-N127 PolarHBondContact O-ND2 2.95Å; M124-M180 HydrophobicContact CE-CE 4.14Å; M124-M180 HydrophobicContact CE-CG 4.47Å; M124-M180 HydrophobicContact SD-CE 3.48Å; M124-M180 WeakPolarHBondContact SD-CE 3.11Å; M124-M180 HydrophobicContact SD-CG 4.12Å; M124-P182 HydrophobicContact CB-CB 4.12Å; M124-P182 HydrophobicContact CG-CB 4.05Å; M124-P182 HydrophobicContact CG-CG 4.24Å; M124-D283 HydrophobicContact CE-CB 3.9Å; M124-D283 VanDerWaalsContact CE-CG 3.43Å; M124-D283 WeakPolarHBondContact CE-OD1 3.36Å
125K97.6Very high98.2Very high150 Ų15035.8 Ų35.865%0.65216%0.159SC*.Hα-helixtrans-82.8-18.9-178.7-64.5179.1177.1-1660115.3I121 R122 Y123I121-K125 WeakPolarHBondContact O-CG 3.22Å; R122-K125 PolarHBondContact O-N 2.88Å; Y123-K125 PolarHBondContact O-N 3.16Å; Y123-K125 VanDerWaalsContact O-N 3.15Å
126E96.9Very high98.2Very high98 Ų9837.7 Ų37.746%0.45817%0.167SC..Hα-helixtrans-119.24.5-168-67.4179.5167.300113.4Y7 R122 Y123Y7-E126 WeakPolarHBondContact CE1-OE2 3.43Å; Y7-E126 PolarHBondContact OH-OE2 2.79Å; R122-E126 HydrophobicContact CG-CG 4.43Å; R122-E126 WeakPolarHBondContact CG-OE2 3.2Å; R122-E126 IonicContact CZ-OE1 3.01Å; R122-E126 IonicContact CZ-OE2 3.58Å; R122-E126 IonicContact NE-OE1 3.43Å; R122-E126 PolarHBondContact NE-OE1 2.93Å; R122-E126 IonicContact NE-OE2 2.77Å; R122-E126 PolarHBondContact NE-OE2 3.3Å; R122-E126 IonicContact NH2-OE1 3.68Å; R122-E126 PolarHBondContact NH2-OE1 3.25Å; R122-E126 IonicContact NH2-OE2 2.71Å; R122-E126 WeakPolarHBondContact O-CG 3.44Å; R122-E126 PolarHBondContact O-N 3.24Å; Y123-E126 PolarHBondContact O-N 3.39Å; Y123-E126 VanDerWaalsContact O-N 3.1Å
127N96.9Very high98.2Very high23 Ų2335 Ų3512%0.12316%0.156CC..  trans-101.5137-172.181.195000113.7Y123 M124 P132 R184Y123-N127 HydrophobicContact CD2-CB 3.85Å; Y123-N127 HydrophobicContact CE2-CB 3.48Å; Y123-N127 VanDerWaalsContact CE2-CB 3.48Å; Y123-N127 VanDerWaalsContact O-CB 3.32Å; Y123-N127 WeakPolarHBondContact O-CB 3.33Å; Y123-N127 PolarHBondContact O-N 2.77Å; Y123-N127 VanDerWaalsContact O-N 3.15Å; Y123-N127 PolarHBondContact O-ND2 3.32Å; M124-N127 WeakPolarHBondContact CA-ND2 3.38Å; M124-N127 PolarHBondContact O-ND2 2.95Å; N127-P132 WeakPolarHBondContact OD1-CB 3.48Å; N127-P132 WeakPolarHBondContact OD1-CG 3.29Å; N127-R184 PolarHBondContact O-NH2 2.92Å; N127-R184 PolarHBondContact OD1-NH2 2.59Å
128E97Very high98.1Very high131 Ų13135.5 Ų35.561%0.61216%0.16SC*.  trans-110.114.6173.9-66.9165.2178.500111.2Y30 A35 R184Y30-E128 WeakPolarHBondContact CB-O 3.49Å; A35-E128 HydrophobicContact CB-CB 4.12Å; A35-E128 HydrophobicContact CB-CG 4.49Å; E128-R184 VanDerWaalsContact C-NH2 3.28Å
129D97.7Very high97.9Very high7 Ų737.1 Ų37.14%0.03717%0.171CC..  trans-64.6141.7-173.6-61.7-25.4000111.8K15 W29 Y123 P132 R184K15-D129 WeakPolarHBondContact CE-OD2 3.24Å; K15-D129 IonicContact NZ-OD1 2.83Å; K15-D129 PolarHBondContact NZ-OD1 3.38Å; K15-D129 IonicContact NZ-OD2 3.85Å; K15-D129 PolarHBondContact NZ-OD2 3.22Å; W29-D129 WeakPolarHBondContact CB-OD1 3.47Å; W29-D129 HydrophobicContact CE3-CB 4.38Å; W29-D129 CarbonylContact O-C 3.52Å; W29-D129 VanDerWaalsContact O-CA 3.29Å; W29-D129 WeakPolarHBondContact O-CA 3.3Å; Y123-D129 VanDerWaalsContact CE2-OD2 3.27Å; Y123-D129 WeakPolarHBondContact CE2-OD2 3.5Å; Y123-D129 VanDerWaalsContact CZ-OD2 3.31Å; Y123-D129 PolarHBondContact OH-OD2 3.39Å; D129-P132 HydrophobicContact CB-CB 4.35Å; D129-P132 HydrophobicContact CB-CG 4.12Å; D129-P132 WeakPolarHBondContact O-CD 3.37Å; D129-P132 WeakPolarHBondContact O-CG 3.36Å; D129-R184 VanDerWaalsContact O-CZ 3.27Å; D129-R184 PolarHBondContact O-NE 2.89Å; D129-R184 PolarHBondContact O-NH2 2.72Å
130D97.6Very high97.9Very high0 Ų035.6 Ų35.60%017%0.165CC..SBendtrans-58.2-53.5178.4-72.6-35000111.1W29 Y30 S31 C32 K33 Y34 R184 I236W29-D130 PolarHBondContact O-N 3.1Å; Y30-D130 WeakPolarHBondContact CA-OD2 3.44Å; S31-D130 PolarHBondContact N-OD2 2.96Å; C32-D130 WeakPolarHBondContact CB-OD1 3.47Å; C32-D130 PolarHBondContact N-OD1 3.24Å; C32-D130 PolarHBondContact N-OD2 2.89Å; K33-D130 PolarHBondContact N-OD1 2.89Å; Y34-D130 HydrophobicContact CD2-CB 3.62Å; Y34-D130 HydrophobicContact CE2-CB 4.18Å; Y34-D130 HydrophobicContact CG-CB 4.43Å; Y34-D130 PolarHBondContact N-OD1 3.12Å; D130-R184 WeakPolarHBondContact O-CB 3.21Å; D130-I236 WeakPolarHBondContact O-CG2 3.39Å
131S98Very high97.7Very high7 Ų736.2 Ų36.25%0.04917%0.171CC..SBendtrans-122.799.7166.8-168.70000109.2E234S131-E234 WeakPolarHBondContact CB-OE2 3.21Å; S131-E234 PolarHBondContact OG-OE2 2.76Å
132P98.4Very high97.6Very high6 Ų640.1 Ų40.14%0.03919%0.189CC..  trans-67.9155.3-177.1-23.434.6000114.1Y123 N127 D129 Y134 P182 R184Y123-P132 HydrophobicContact CE1-CB 4.15Å; Y123-P132 VanDerWaalsContact OH-CA 3.22Å; Y123-P132 WeakPolarHBondContact OH-CA 3.4Å; Y123-P132 WeakPolarHBondContact OH-CB 3.42Å; N127-P132 WeakPolarHBondContact OD1-CB 3.48Å; N127-P132 WeakPolarHBondContact OD1-CG 3.29Å; D129-P132 HydrophobicContact CB-CB 4.35Å; D129-P132 HydrophobicContact CB-CG 4.12Å; D129-P132 WeakPolarHBondContact O-CD 3.37Å; D129-P132 WeakPolarHBondContact O-CG 3.36Å; P132-Y134 PolarHBondContact O-N 2.94Å; P132-P182 HydrophobicContact CB-CG 3.49Å; P132-P182 VanDerWaalsContact CB-CG 3.49Å; P132-P182 HydrophobicContact CG-CG 3.91Å; P132-R184 HydrophobicContact CG-CB 4.43Å
133L98.5Very high97.4Very high8 Ų838.2 Ų38.24%0.04218%0.184CC..  trans-54.4136.8169.5-63.1176.2000110.4A14 K15 A18 W29 L115 F120 Y123A14-L133 HydrophobicContact CB-CD1 4.1Å; K15-L133 HydrophobicContact CG-CD1 3.95Å; K15-L133 HydrophobicContact CG-CG 4.35Å; A18-L133 HydrophobicContact CB-CD2 3.82Å; W29-L133 HydrophobicContact CH2-CD2 3.87Å; W29-L133 HydrophobicContact CH2-CG 4.47Å; W29-L133 HydrophobicContact CZ3-CD2 4.02Å; W29-L133 HydrophobicContact CZ3-CG 4.23Å; L115-L133 HydrophobicContact CD1-CD1 4.11Å; F120-L133 HydrophobicContact CE2-CB 4.19Å; F120-L133 VanDerWaalsContact CE2-O 3.24Å; F120-L133 WeakPolarHBondContact CE2-O 3.25Å; F120-L133 WeakPolarHBondContact CZ-O 3.2Å; Y123-L133 HydrophobicContact CD1-CB 4.5Å; Y123-L133 HydrophobicContact CE1-CB 3.67Å; Y123-L133 HydrophobicContact CE1-CG 4.28Å; Y123-L133 PolarHBondContact OH-N 3.19Å
134Y98.7Very high97.2Very high27 Ų2742 Ų4211%0.10621%0.212CC..  trans-125.8124.6-170.7-172-159000110.7C104 P132 F136 V179 M180 G186 K207 N280C104-Y134 WeakPolarHBondContact CA-O 3.32Å; P132-Y134 PolarHBondContact O-N 2.94Å; Y134-F136 HydrophobicContact CD1-CD2 4.47Å; Y134-F136 HydrophobicContact CE1-CD2 4.25Å; Y134-F136 PolarHBondContact O-N 2.76Å; Y134-V179 HydrophobicContact CD2-CG1 4.45Å; Y134-V179 HydrophobicContact CE1-CG1 4Å; Y134-V179 HydrophobicContact CE2-CG1 3.48Å; Y134-V179 VanDerWaalsContact CE2-CG1 3.48Å; Y134-V179 WeakPolarHBondContact OH-CG1 3.38Å; Y134-M180 VanDerWaalsContact CD2-O 3.32Å; Y134-M180 WeakPolarHBondContact CD2-O 3.22Å; Y134-G186 WeakPolarHBondContact CD1-O 3.37Å; Y134-K207 PolarHBondContact OH-NZ 3.17Å; Y134-N280 WeakPolarHBondContact CE2-ND2 3.13Å; Y134-N280 VanDerWaalsContact CZ-ND2 3.26Å; Y134-N280 PolarHBondContact OH-ND2 3.11Å; Y134-N280 PolarHBondContact OH-OD1 2.94Å
135I98.8Very high97.1Very high1 Ų148.8 Ų48.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-69124.5172.3-76.7173.1000108.7F102 K103 C104 M117 F120 D137 F178 V179 M180F102-I135 HydrophobicContact CB-CD1 3.76Å; F102-I135 HydrophobicContact CB-CG1 4.02Å; F102-I135 HydrophobicContact CB-CG2 4.05Å; F102-I135 HydrophobicContact CD1-CG2 4.37Å; F102-I135 HydrophobicContact CG-CD1 4.3Å; K103-I135 VanDerWaalsContact O-CA 3.3Å; K103-I135 WeakPolarHBondContact O-CA 3.37Å; C104-I135 HydrophobicContact CB-CG1 4.35Å; M117-I135 HydrophobicContact CE-CD1 4.44Å; F120-I135 HydrophobicContact CB-CD1 4.05Å; F120-I135 HydrophobicContact CD1-CD1 3.28Å; F120-I135 HydrophobicContact CD1-CG1 3.73Å; F120-I135 HydrophobicContact CD2-CD1 4.15Å; F120-I135 HydrophobicContact CD2-CG1 3.94Å; F120-I135 HydrophobicContact CE1-CB 4.21Å; F120-I135 HydrophobicContact CE1-CD1 3.69Å; F120-I135 HydrophobicContact CE1-CG1 3.69Å; F120-I135 HydrophobicContact CE2-CG1 3.92Å; F120-I135 HydrophobicContact CG-CD1 3.54Å; F120-I135 HydrophobicContact CG-CG1 3.85Å; F120-I135 HydrophobicContact CZ-CB 4.27Å; F120-I135 HydrophobicContact CZ-CD1 4.3Å; F120-I135 HydrophobicContact CZ-CG1 3.8Å; I135-D137 HydrophobicContact CG2-CB 4.45Å; I135-F178 HydrophobicContact CG2-CD1 3.92Å; I135-F178 HydrophobicContact CG2-CE1 4.19Å; I135-V179 WeakPolarHBondContact O-CA 3.37Å; I135-M180 HydrophobicContact CB-CB 4.14Å; I135-M180 WeakPolarHBondContact CB-O 3.26Å; I135-M180 HydrophobicContact CG2-CB 4.37Å; I135-M180 PolarHBondContact N-O 3.4Å; I135-M180 PolarHBondContact O-N 3.32Å
136F98.5Very high97.1Very high48 Ų4842 Ų4221%0.21121%0.207CC..EExtended strand (participates in β ladder)trans-143.571.9177.5-153.5-89.6000107.8K103 Y134 W177 V179K103-F136 WeakPolarHBondContact CD-O 3.42Å; K103-F136 PolarHBondContact O-N 2.69Å; Y134-F136 HydrophobicContact CD1-CD2 4.47Å; Y134-F136 HydrophobicContact CE1-CD2 4.25Å; Y134-F136 PolarHBondContact O-N 2.76Å; F136-W177 HydrophobicContact CD1-CB 4.33Å; F136-W177 AromaticContact CD1-CD1 3.26Å; F136-W177 AromaticContact CD1-CG 3.85Å; F136-W177 HydrophobicContact CD1-CG 3.85Å; F136-W177 AromaticContact CD1-NE1 3.73Å; F136-W177 HydrophobicContact CE1-CB 4.1Å; F136-W177 AromaticContact CE1-CD1 3.2Å; F136-W177 AromaticContact CE1-CD2 3.85Å; F136-W177 HydrophobicContact CE1-CD2 3.85Å; F136-W177 AromaticContact CE1-CE2 3.86Å; F136-W177 AromaticContact CE1-CG 3.47Å; F136-W177 HydrophobicContact CE1-CG 3.47Å; F136-W177 VanDerWaalsContact CE1-CG 3.47Å; F136-W177 AromaticContact CE1-NE1 3.41Å; F136-W177 HydrophobicContact CZ-CB 4.32Å; F136-W177 HydrophobicContact CZ-CD2 4.33Å; F136-W177 HydrophobicContact CZ-CG 4.03Å; F136-V179 HydrophobicContact CD2-CB 4.48Å; F136-V179 HydrophobicContact CD2-CG1 3.96Å; F136-V179 HydrophobicContact CD2-CG2 3.74Å; F136-V179 HydrophobicContact CE2-CG1 4.28Å; F136-V179 HydrophobicContact CE2-CG2 3.75Å; F136-V179 HydrophobicContact CG-CG2 4.46Å; F136-V179 HydrophobicContact CZ-CG2 4.47Å
137D98.4Very high97.2Very high2 Ų242.4 Ų42.41%0.01121%0.207CC..EExtended strand (participates in β ladder)trans-99.3118.8-171.1-160.3-76000111.7F102 K103 I135 N139 Y140 R146 W177 F178F102-D137 WeakPolarHBondContact CA-OD2 3.48Å; F102-D137 HydrophobicContact CD1-CB 4.05Å; K103-D137 HydrophobicContact CB-CB 4.21Å; K103-D137 WeakPolarHBondContact CB-OD2 3.45Å; K103-D137 PolarHBondContact N-OD2 3.03Å; I135-D137 HydrophobicContact CG2-CB 4.45Å; D137-N139 PolarHBondContact OD1-N 3.23Å; D137-Y140 VanDerWaalsContact O-CD1 3.22Å; D137-Y140 WeakPolarHBondContact O-CD1 3.27Å; D137-Y140 PolarHBondContact OD1-N 2.72Å; D137-R146 IonicContact OD1-CZ 3.03Å; D137-R146 VanDerWaalsContact OD1-CZ 3.3Å; D137-R146 IonicContact OD1-NH1 2.64Å; D137-R146 PolarHBondContact OD1-NH1 2.83Å; D137-R146 VanDerWaalsContact OD1-NH1 3.1Å; D137-R146 IonicContact OD1-NH2 3.87Å; D137-R146 PolarHBondContact OD1-NH2 3.39Å; D137-R146 IonicContact OD2-CZ 3.09Å; D137-R146 IonicContact OD2-NH1 2.66Å; D137-R146 PolarHBondContact OD2-NH1 2.64Å; D137-R146 IonicContact OD2-NH2 3.32Å; D137-W177 WeakPolarHBondContact O-CA 3.49Å; D137-F178 PolarHBondContact N-O 2.89Å; D137-F178 PolarHBondContact O-N 2.76Å
138A97.4Very high97.2Very high10 Ų1046.9 Ų46.98%0.08323%0.226CC..SBendtrans-89.1-19.2179.600000114.2P174 R176 W177A138-P174 HydrophobicContact CB-CB 4Å; A138-R176 VanDerWaalsContact CA-O 3.23Å; A138-R176 WeakPolarHBondContact CA-O 3.21Å; A138-W177 HydrophobicContact CB-CG 4.36Å
139N95.3Very high97.3Very high85 Ų8540.7 Ų40.746%0.45520%0.197SC..  trans-106.424.4-164-6325000112D137 E142 R146D137-N139 PolarHBondContact OD1-N 3.23Å; N139-E142 WeakPolarHBondContact CA-OE2 3.29Å; N139-R146 PolarHBondContact O-NH2 2.9Å
140Y97.2Very high97.3Very high1 Ų143 Ų430%0.00421%0.209CC..SBendtrans-73.3-36.5-175.361.8-80.8000111.4D137 E142 H143 R146 K147 L149 L150 Y153 R176 F178D137-Y140 VanDerWaalsContact O-CD1 3.22Å; D137-Y140 WeakPolarHBondContact O-CD1 3.27Å; D137-Y140 PolarHBondContact OD1-N 2.72Å; Y140-E142 VanDerWaalsContact C-N 3.28Å; Y140-E142 PolarHBondContact O-N 3.11Å; Y140-H143 PolarHBondContact O-N 2.96Å; Y140-R146 CarbonylContact O-C 3.57Å; Y140-K147 VanDerWaalsContact O-CA 3.27Å; Y140-K147 WeakPolarHBondContact O-CA 3.5Å; Y140-K147 PolarHBondContact O-N 3.29Å; Y140-L149 HydrophobicContact CD2-CB 3.93Å; Y140-L149 HydrophobicContact CD2-CD1 4.15Å; Y140-L149 HydrophobicContact CE2-CB 4.33Å; Y140-L149 HydrophobicContact CG-CD1 4.4Å; Y140-L150 HydrophobicContact CD2-CD2 4.37Å; Y140-L150 HydrophobicContact CE2-CD2 3.62Å; Y140-L150 HydrophobicContact CE2-CG 4.22Å; Y140-Y153 HydrophobicContact CE2-CE1 4.27Å; Y140-Y153 PolarHBondContact OH-OH 3.2Å; Y140-R176 HydrophobicContact CE1-CB 4.46Å; Y140-R176 HydrophobicContact CE1-CG 4.04Å; Y140-F178 HydrophobicContact CD1-CB 3.96Å; Y140-F178 HydrophobicContact CE1-CB 4.1Å; Y140-F178 VanDerWaalsContact CE1-N 3.34Å; Y140-F178 HydrophobicContact CG-CB 4.25Å
141G95.9Very high97.3Very high12 Ų1248.7 Ų48.712%0.12424%0.24CC..THydrogen-bonded Turntrans-64.7-29178.800000114.2K147G141-K147 WeakPolarHBondContact O-CB 3.23Å
142E94.6Very high97.3Very high95 Ų9548.6 Ų48.644%0.44424%0.239SC..THydrogen-bonded Turntrans-90.6-10.2-174.9-57.564.9-13700111.6N139 Y140 R176N139-E142 WeakPolarHBondContact CA-OE2 3.29Å; Y140-E142 VanDerWaalsContact C-N 3.28Å; Y140-E142 PolarHBondContact O-N 3.11Å; E142-R176 IonicContact OE1-CZ 2.85Å; E142-R176 IonicContact OE1-NE 3.31Å; E142-R176 IonicContact OE1-NH2 2.87Å; E142-R176 PolarHBondContact OE1-NH2 3.17Å
143H94.7Very high97.3Very high76 Ų7649.1 Ų49.135%0.35224%0.24SC..SBendtrans-96.1125.4-179.6-168.9-96.7000112.1E100 Y140 R145 R146 K147E100-H143 IonicContact OE2-CE1 3.97Å; E100-H143 PolarHBondContact OE2-CE1 2.88Å; E100-H143 IonicContact OE2-ND1 2.72Å; Y140-H143 PolarHBondContact O-N 2.96Å; H143-R145 PolarHBondContact O-N 3.35Å; H143-R146 HydrophobicContact CB-CB 4.15Å; H143-R146 HydrophobicContact CB-CG 4.35Å; H143-R146 PolarHBondContact O-N 2.73Å; H143-K147 WeakPolarHBondContact O-CB 3.31Å; H143-K147 PolarHBondContact O-N 2.96Å
144S94.8Very high97.3Very high86 Ų8653 Ų5360%0.60126%0.264SS*.THydrogen-bonded Turntrans-45-38.4-171.561.30000115.9K147S144-K147 WeakPolarHBondContact O-CE 3.34Å; S144-K147 WeakPolarHBondContact O-CG 3.14Å
145R96.6Very high97.2Very high152 Ų15254.7 Ų54.757%0.57427%0.274SS*.THydrogen-bonded Turntrans-95.6-37.9177.9-70.9179.4170.3-169.6-2.8114.8E100 H143 K147 K148E100-R145 VanDerWaalsContact CD-CD 3.47Å; E100-R145 HydrophobicContact CG-CB 4.42Å; E100-R145 WeakPolarHBondContact OE1-CD 3.3Å; E100-R145 IonicContact OE1-CZ 3.73Å; E100-R145 IonicContact OE1-NE 3.58Å; E100-R145 IonicContact OE1-NH1 3.17Å; E100-R145 PolarHBondContact OE1-NH1 3.37Å; H143-R145 PolarHBondContact O-N 3.35Å; R145-K147 VanDerWaalsContact C-N 3.31Å; R145-K148 WeakPolarHBondContact O-CG 3.48Å; R145-K148 PolarHBondContact O-N 3.15Å
146R97.9Very high97.1Very high7 Ų755.4 Ų55.43%0.02628%0.279CS..G310 helixtrans-77.6-21.3-174.5-55.7-178.3-52154.117.1111.8E100 R101 F102 D137 N139 Y140 H143 K148 L149E100-R146 HydrophobicContact CB-CG 4.08Å; E100-R146 HydrophobicContact CG-CG 4.37Å; R101-R146 WeakPolarHBondContact O-CD 3.45Å; R101-R146 PolarHBondContact O-NH1 2.92Å; F102-R146 HydrophobicContact CE1-CG 4.44Å; F102-R146 HydrophobicContact CE2-CG 4.44Å; F102-R146 HydrophobicContact CZ-CB 4.47Å; F102-R146 HydrophobicContact CZ-CG 3.99Å; D137-R146 IonicContact OD1-CZ 3.03Å; D137-R146 VanDerWaalsContact OD1-CZ 3.3Å; D137-R146 IonicContact OD1-NH1 2.64Å; D137-R146 PolarHBondContact OD1-NH1 2.83Å; D137-R146 VanDerWaalsContact OD1-NH1 3.1Å; D137-R146 IonicContact OD1-NH2 3.87Å; D137-R146 PolarHBondContact OD1-NH2 3.39Å; D137-R146 IonicContact OD2-CZ 3.09Å; D137-R146 IonicContact OD2-NH1 2.66Å; D137-R146 PolarHBondContact OD2-NH1 2.64Å; D137-R146 IonicContact OD2-NH2 3.32Å; N139-R146 PolarHBondContact O-NH2 2.9Å; Y140-R146 CarbonylContact O-C 3.57Å; H143-R146 HydrophobicContact CB-CB 4.15Å; H143-R146 HydrophobicContact CB-CG 4.35Å; H143-R146 PolarHBondContact O-N 2.73Å; R146-K148 PolarHBondContact O-N 3.3Å; R146-L149 WeakPolarHBondContact O-CB 3.09Å; R146-L149 WeakPolarHBondContact O-CG 3.25Å; R146-L149 PolarHBondContact O-N 3.48Å
147K97.7Very high97Very high106 Ų10657.6 Ų57.646%0.46129%0.286SS..G310 helixtrans-57.9-19.117473.7177.9-173.9167.40113.5Y140 G141 H143 S144 R145 L149 L150Y140-K147 VanDerWaalsContact O-CA 3.27Å; Y140-K147 WeakPolarHBondContact O-CA 3.5Å; Y140-K147 PolarHBondContact O-N 3.29Å; G141-K147 WeakPolarHBondContact O-CB 3.23Å; H143-K147 WeakPolarHBondContact O-CB 3.31Å; H143-K147 PolarHBondContact O-N 2.96Å; S144-K147 WeakPolarHBondContact O-CE 3.34Å; S144-K147 WeakPolarHBondContact O-CG 3.14Å; R145-K147 VanDerWaalsContact C-N 3.31Å; K147-L149 PolarHBondContact O-N 2.93Å; K147-L149 VanDerWaalsContact O-N 3.13Å; K147-L150 HydrophobicContact CB-CD1 4.45Å; K147-L150 VanDerWaalsContact O-CB 3.25Å; K147-L150 WeakPolarHBondContact O-CB 3.35Å; K147-L150 WeakPolarHBondContact O-CG 3.28Å; K147-L150 PolarHBondContact O-N 3.27Å
148K97.8Very high97Very high117 Ų11757.7 Ų57.751%0.50929%0.286SS..G310 helixtrans-60.4-15.5171.4-66.6-173177-169.80113.7Y97 R145 R146 L150 N151Y97-K148 HydrophobicContact CE1-CB 4.48Å; R145-K148 WeakPolarHBondContact O-CG 3.48Å; R145-K148 PolarHBondContact O-N 3.15Å; R146-K148 PolarHBondContact O-N 3.3Å; K148-L150 VanDerWaalsContact C-N 3.31Å; K148-N151 PolarHBondContact O-N 3.45Å
149L98.4Very high97Very high1 Ų157.4 Ų57.41%0.00528%0.283CS..G310 helixtrans-67.2-28.8168.4-70.7169.6000112.5W88 L93 Y97 F102 Y140 R146 K147 N151 D152 Y153 F178W88-L149 HydrophobicContact CZ2-CB 4.47Å; W88-L149 HydrophobicContact CZ2-CD2 4.03Å; L93-L149 HydrophobicContact CD2-CD2 4.25Å; Y97-L149 HydrophobicContact CE2-CD2 3.55Å; Y97-L149 HydrophobicContact CE2-CG 3.98Å; Y97-L149 WeakPolarHBondContact OH-CG 3.18Å; Y97-L149 PolarHBondContact OH-N 3.32Å; F102-L149 HydrophobicContact CE1-CD1 3.93Å; F102-L149 HydrophobicContact CZ-CD1 4.28Å; Y140-L149 HydrophobicContact CD2-CB 3.93Å; Y140-L149 HydrophobicContact CD2-CD1 4.15Å; Y140-L149 HydrophobicContact CE2-CB 4.33Å; Y140-L149 HydrophobicContact CG-CD1 4.4Å; R146-L149 WeakPolarHBondContact O-CB 3.09Å; R146-L149 WeakPolarHBondContact O-CG 3.25Å; R146-L149 PolarHBondContact O-N 3.48Å; K147-L149 PolarHBondContact O-N 2.93Å; K147-L149 VanDerWaalsContact O-N 3.13Å; L149-N151 PolarHBondContact O-N 2.85Å; L149-D152 WeakPolarHBondContact O-CB 3.41Å; L149-D152 PolarHBondContact O-N 2.97Å; L149-D152 VanDerWaalsContact O-N 3.08Å; L149-Y153 VanDerWaalsContact O-CD1 3.31Å; L149-Y153 WeakPolarHBondContact O-CD1 3.47Å; L149-F178 HydrophobicContact CD1-CB 4.31Å; L149-F178 HydrophobicContact CD1-CD1 4.41Å; L149-F178 HydrophobicContact CD1-CD2 3.95Å; L149-F178 HydrophobicContact CD1-CE2 4.41Å; L149-F178 HydrophobicContact CD1-CG 3.94Å; L149-F178 HydrophobicContact CD2-CD2 4.34Å; L149-F178 HydrophobicContact CD2-CE2 4.19Å
150L98Very high97Very high55 Ų5560.9 Ų60.929%0.28829%0.294SS..G310 helixtrans-65.9-18.8175.2-61.6173.1000112.6Y140 K147 K148 D152 Y153Y140-L150 HydrophobicContact CD2-CD2 4.37Å; Y140-L150 HydrophobicContact CE2-CD2 3.62Å; Y140-L150 HydrophobicContact CE2-CG 4.22Å; K147-L150 HydrophobicContact CB-CD1 4.45Å; K147-L150 VanDerWaalsContact O-CB 3.25Å; K147-L150 WeakPolarHBondContact O-CB 3.35Å; K147-L150 WeakPolarHBondContact O-CG 3.28Å; K147-L150 PolarHBondContact O-N 3.27Å; K148-L150 VanDerWaalsContact C-N 3.31Å; L150-D152 VanDerWaalsContact C-N 3.3Å; L150-Y153 HydrophobicContact CD2-CE1 4.12Å; L150-Y153 WeakPolarHBondContact CD2-OH 3.24Å
151N98Very high97Very high121 Ų12163.6 Ų63.665%0.64731%0.307SS*.G310 helixtrans-84.4-8176.3-59.611.6000112.3K148 L149K148-N151 PolarHBondContact O-N 3.45Å; L149-N151 PolarHBondContact O-N 2.85Å
152D98.5Very high97Very high5 Ų564.6 Ų64.63%0.02731%0.309CS..SBendtrans-93.3-13.2-175.5-62.8-38.2000112W82 K83 A84 N87 W88 K96 L149 L150W82-D152 CarbonylContact C-O 3.54Å; K83-D152 PolarHBondContact N-O 2.98Å; K83-D152 VanDerWaalsContact N-O 3.1Å; A84-D152 HydrophobicContact CB-CB 4.14Å; A84-D152 WeakPolarHBondContact CB-O 3.23Å; A84-D152 PolarHBondContact N-O 2.94Å; N87-D152 PolarHBondContact ND2-OD1 3.4Å; W88-D152 HydrophobicContact CZ2-CB 4Å; W88-D152 VanDerWaalsContact NE1-CB 3.3Å; W88-D152 PolarHBondContact NE1-OD2 3.08Å; K96-D152 IonicContact NZ-OD1 3.32Å; K96-D152 PolarHBondContact NZ-OD1 3.25Å; K96-D152 IonicContact NZ-OD2 2.78Å; K96-D152 PolarHBondContact NZ-OD2 2.88Å; L149-D152 WeakPolarHBondContact O-CB 3.41Å; L149-D152 PolarHBondContact O-N 2.97Å; L149-D152 VanDerWaalsContact O-N 3.08Å; L150-D152 VanDerWaalsContact C-N 3.3Å
153Y98.6Very high97.2Very high16 Ų1660.3 Ų60.36%0.06329%0.29CS..  trans-144.8165.3-178.475.7-87.2000113W82 W88 Y140 L149 L150 I155 W199 V287 Q289W82-Y153 HydrophobicContact CH2-CD2 4.15Å; W82-Y153 HydrophobicContact CH2-CG 4.36Å; W82-Y153 HydrophobicContact CZ2-CD2 4.18Å; W82-Y153 HydrophobicContact CZ3-CG 4.45Å; W88-Y153 AromaticContact CH2-CD1 3.99Å; W88-Y153 HydrophobicContact CH2-CD1 3.99Å; W88-Y153 HydrophobicContact CZ2-CD1 4.04Å; Y140-Y153 HydrophobicContact CE2-CE1 4.27Å; Y140-Y153 PolarHBondContact OH-OH 3.2Å; L149-Y153 VanDerWaalsContact O-CD1 3.31Å; L149-Y153 WeakPolarHBondContact O-CD1 3.47Å; L150-Y153 HydrophobicContact CD2-CE1 4.12Å; L150-Y153 WeakPolarHBondContact CD2-OH 3.24Å; Y153-I155 HydrophobicContact CE2-CD1 4.15Å; Y153-W199 HydrophobicContact CE2-CH2 4.25Å; Y153-V287 HydrophobicContact CD1-CG1 4.41Å; Y153-V287 HydrophobicContact CD2-CG1 4.25Å; Y153-V287 HydrophobicContact CE1-CG2 4.1Å; Y153-V287 HydrophobicContact CE2-CG2 4.15Å; Y153-V287 HydrophobicContact CG-CG1 4.21Å; Y153-Q289 PolarHBondContact OH-NE2 3.37Å; Y153-Q289 VanDerWaalsContact OH-NE2 3.15Å
154T97.6Very high97.3Very high89 Ų8956.9 Ų56.955%0.54627%0.274SS..  trans-130.1155.9175.154.50000111.3W82W82-T154 WeakPolarHBondContact CZ2-O 3.23Å; W82-T154 PolarHBondContact NE1-O 3.15Å; W82-T154 PolarHBondContact NE1-OG1 3.32Å
155I97.2Very high97.4Very high64 Ų6455.5 Ų55.533%0.32826%0.264SS..  trans-74.7128.5176.4-47.1-62.8000109.3Y153 F159 W199 Q289Y153-I155 HydrophobicContact CE2-CD1 4.15Å; I155-F159 HydrophobicContact CG2-CB 4.07Å; I155-F159 VanDerWaalsContact CG2-O 3.3Å; I155-F159 WeakPolarHBondContact CG2-O 3.26Å; I155-W199 HydrophobicContact CD1-CH2 4.36Å; I155-W199 HydrophobicContact CD1-CZ2 3.79Å; I155-W199 HydrophobicContact CG2-CZ2 4.48Å; I155-Q289 VanDerWaalsContact CD1-NE2 3.28Å
156C95.8Very high97.4Very high15 Ų1550.6 Ų50.610%0.10125%0.249CC..  trans-61.6150176.3-169.40000111.1A78 Y158 F159A78-C156 HydrophobicContact CB-CB 4.41Å; C156-Y158 PolarHBondContact O-N 2.82Å; C156-Y158 VanDerWaalsContact O-N 3.1Å; C156-Y158 WeakPolarHBondContact SG-CD2 3.14Å; C156-F159 HydrophobicContact CB-CD2 3.83Å; C156-F159 HydrophobicContact CB-CE2 4.13Å; C156-F159 PolarHBondContact O-N 2.83Å
157R96.2Very high97.2Very high95 Ų9550.3 Ų50.336%0.35825%0.248SC..G310 helixtrans-59.2-26.7-175.767.6170.6174.8-90.92.8114A54 V57 H59 F159A54-R157 PolarHBondContact O-NH1 2.91Å; A54-R157 PolarHBondContact O-NH2 3.27Å; V57-R157 PolarHBondContact O-NH2 2.94Å; H59-R157 PolarHBondContact ND1-O 3.08Å; R157-F159 VanDerWaalsContact C-N 3.29Å; R157-F159 PolarHBondContact O-N 2.64Å
158Y98Very high97Very high3 Ų346.4 Ų46.41%0.01224%0.238CC..G310 helixtrans-67-26.8176.2-52.7-51.7000113.4A54 V57 A58 F62 I75 C156A54-Y158 HydrophobicContact CB-CE2 4.03Å; V57-Y158 PolarHBondContact O-OH 3.11Å; A58-Y158 WeakPolarHBondContact O-CE1 3.32Å; F62-Y158 HydrophobicContact CB-CD1 3.42Å; F62-Y158 VanDerWaalsContact CB-CD1 3.42Å; F62-Y158 HydrophobicContact CB-CE1 3.48Å; F62-Y158 VanDerWaalsContact CB-CE1 3.48Å; F62-Y158 HydrophobicContact CB-CG 4.22Å; F62-Y158 AromaticContact CD1-CD1 3.68Å; F62-Y158 HydrophobicContact CD1-CD1 3.68Å; F62-Y158 AromaticContact CD1-CG 3.83Å; F62-Y158 HydrophobicContact CD1-CG 3.83Å; F62-Y158 HydrophobicContact CD2-CD1 4.21Å; F62-Y158 HydrophobicContact CD2-CD2 4.47Å; F62-Y158 HydrophobicContact CD2-CG 4.17Å; F62-Y158 HydrophobicContact CE1-CG 4.29Å; F62-Y158 AromaticContact CG-CD1 3.47Å; F62-Y158 HydrophobicContact CG-CD1 3.47Å; F62-Y158 VanDerWaalsContact CG-CD1 3.47Å; F62-Y158 HydrophobicContact CG-CD2 4.48Å; F62-Y158 AromaticContact CG-CE1 3.96Å; F62-Y158 HydrophobicContact CG-CE1 3.96Å; F62-Y158 AromaticContact CG-CG 3.77Å; F62-Y158 HydrophobicContact CG-CG 3.77Å; I75-Y158 HydrophobicContact CD1-CD2 3.73Å; I75-Y158 HydrophobicContact CD1-CE2 4.13Å; I75-Y158 HydrophobicContact CG2-CD2 4.27Å; I75-Y158 HydrophobicContact CG2-CE2 3.8Å; C156-Y158 PolarHBondContact O-N 2.82Å; C156-Y158 VanDerWaalsContact O-N 3.1Å; C156-Y158 WeakPolarHBondContact SG-CD2 3.14Å
159F97.7Very high96.8Very high5 Ų545.1 Ų45.12%0.02223%0.234CC..G310 helixtrans-11819.8-169.9-42.5-53.4000113.3F62 I75 I155 C156 R157 E161 W199 T267 F269 F291F62-F159 HydrophobicContact CE1-CE1 4.11Å; F62-F159 AromaticContact CZ-CE1 3.77Å; F62-F159 HydrophobicContact CZ-CE1 3.77Å; F62-F159 HydrophobicContact CZ-CZ 4.34Å; I75-F159 HydrophobicContact CD1-CE2 4.21Å; I75-F159 HydrophobicContact CD1-CZ 3.64Å; I155-F159 HydrophobicContact CG2-CB 4.07Å; I155-F159 VanDerWaalsContact CG2-O 3.3Å; I155-F159 WeakPolarHBondContact CG2-O 3.26Å; C156-F159 HydrophobicContact CB-CD2 3.83Å; C156-F159 HydrophobicContact CB-CE2 4.13Å; C156-F159 PolarHBondContact O-N 2.83Å; R157-F159 VanDerWaalsContact C-N 3.29Å; R157-F159 PolarHBondContact O-N 2.64Å; F159-E161 VanDerWaalsContact C-N 3.27Å; F159-E161 PolarHBondContact O-N 3.33Å; F159-W199 VanDerWaalsContact CB-CD1 3.47Å; F159-W199 HydrophobicContact CB-CG 4.41Å; F159-W199 HydrophobicContact CD1-CB 4.48Å; F159-W199 AromaticContact CD1-CD1 3.92Å; F159-W199 HydrophobicContact CD1-CG 4.47Å; F159-W199 HydrophobicContact CD2-CB 3.71Å; F159-W199 AromaticContact CD2-CD1 3.27Å; F159-W199 AromaticContact CD2-CD2 4Å; F159-W199 HydrophobicContact CD2-CD2 4Å; F159-W199 AromaticContact CD2-CG 3.38Å; F159-W199 HydrophobicContact CD2-CG 3.38Å; F159-W199 AromaticContact CD2-NE1 3.76Å; F159-W199 HydrophobicContact CE1-CB 4.23Å; F159-W199 HydrophobicContact CE2-CB 3.4Å; F159-W199 VanDerWaalsContact CE2-CB 3.4Å; F159-W199 AromaticContact CE2-CD1 3.94Å; F159-W199 HydrophobicContact CE2-CD2 4.4Å; F159-W199 AromaticContact CE2-CG 3.64Å; F159-W199 HydrophobicContact CE2-CG 3.64Å; F159-W199 HydrophobicContact CG-CB 4.24Å; F159-W199 AromaticContact CG-CD1 3.25Å; F159-W199 AromaticContact CG-CG 3.84Å; F159-W199 HydrophobicContact CG-CG 3.84Å; F159-W199 AromaticContact CG-NE1 3.78Å; F159-W199 HydrophobicContact CZ-CB 3.69Å; F159-W199 HydrophobicContact CZ-CG 4.29Å; F159-T267 HydrophobicContact CE2-CG2 4.32Å; F159-F269 AromaticContact CE1-CD2 3.84Å; F159-F269 HydrophobicContact CE1-CD2 3.84Å; F159-F269 HydrophobicContact CE1-CE2 4.47Å; F159-F269 HydrophobicContact CE1-CG 4.43Å; F159-F269 HydrophobicContact CZ-CB 4.28Å; F159-F269 HydrophobicContact CZ-CD2 4.33Å; F159-F291 HydrophobicContact CD1-CD1 4.49Å; F159-F291 AromaticContact CD1-CE1 3.71Å; F159-F291 HydrophobicContact CD1-CE1 3.71Å; F159-F291 HydrophobicContact CD1-CE2 4.01Å; F159-F291 AromaticContact CD1-CZ 3.42Å; F159-F291 HydrophobicContact CD1-CZ 3.42Å; F159-F291 VanDerWaalsContact CD1-CZ 3.42Å; F159-F291 HydrophobicContact CE1-CE1 4.17Å; F159-F291 AromaticContact CE1-CZ 3.91Å; F159-F291 HydrophobicContact CE1-CZ 3.91Å; F159-F291 HydrophobicContact CG-CE1 4.38Å; F159-F291 HydrophobicContact CG-CZ 4.39Å
160K96.1Very high96.4Very high157 Ų15754.5 Ų54.568%0.68327%0.274SS*.  trans-67.2-28.8178-78.2-179.6175.2-178.40112.7D162K160-D162 PolarHBondContact O-N 2.77Å
161E96.8Very high96.1Very high58 Ų5854.2 Ų54.227%0.27128%0.275SS..  trans-78.2109176.8-172.4167.7-115.800110.3F159 L163 S293 S294 R323F159-E161 VanDerWaalsContact C-N 3.27Å; F159-E161 PolarHBondContact O-N 3.33Å; E161-L163 HydrophobicContact CG-CD2 4.05Å; E161-L163 HydrophobicContact CG-CG 3.97Å; E161-S293 WeakPolarHBondContact OE2-CA 3.47Å; E161-S294 VanDerWaalsContact CD-OG 3.25Å; E161-S294 PolarHBondContact OE1-OG 3.34Å; E161-S294 VanDerWaalsContact OE1-OG 3.06Å; E161-S294 WeakPolarHBondContact OE2-CB 3.4Å; E161-S294 PolarHBondContact OE2-N 3.13Å; E161-S294 PolarHBondContact OE2-OG 3.29Å; E161-R323 IonicContact OE1-CZ 2.79Å; E161-R323 IonicContact OE1-NH1 3.43Å; E161-R323 PolarHBondContact OE1-NH1 3.03Å; E161-R323 IonicContact OE1-NH2 3.93Å
162D97.1Very high96Very high33 Ų3349.2 Ų49.218%0.17625%0.247CC..  trans-127.677.8179.7174.426.4000109.3K160 F164 S165 R172K160-D162 PolarHBondContact O-N 2.77Å; D162-F164 PolarHBondContact O-N 3.45Å; D162-F164 VanDerWaalsContact O-N 3.12Å; D162-S165 VanDerWaalsContact O-CB 3.24Å; D162-S165 WeakPolarHBondContact O-CB 3.31Å; D162-S165 PolarHBondContact O-N 3.42Å; D162-S165 PolarHBondContact O-OG 2.93Å; D162-R172 IonicContact OD1-CZ 3.57Å; D162-R172 IonicContact OD1-NH1 3.96Å; D162-R172 IonicContact OD1-NH2 2.71Å; D162-R172 PolarHBondContact OD1-NH2 2.71Å; D162-R172 IonicContact OD2-CZ 3.59Å; D162-R172 IonicContact OD2-NH1 2.88Å; D162-R172 PolarHBondContact OD2-NH1 2.71Å; D162-R172 IonicContact OD2-NH2 3.12Å; D162-R172 PolarHBondContact OD2-NH2 3.3Å
163L97.8Very high95.7Very high6 Ų649.9 Ų49.93%0.03125%0.252CS..G310 helixtrans-60.8-25.2-172.1-64.3171000113E161 S165 L166 C292 S293 F297 W315 R323 L326E161-L163 HydrophobicContact CG-CD2 4.05Å; E161-L163 HydrophobicContact CG-CG 3.97Å; L163-S165 PolarHBondContact O-N 3.24Å; L163-L166 HydrophobicContact CD2-CD1 4.31Å; L163-L166 WeakPolarHBondContact O-CB 3.4Å; L163-L166 PolarHBondContact O-N 3Å; L163-L166 VanDerWaalsContact O-N 3.17Å; L163-C292 HydrophobicContact CB-CB 4.19Å; L163-C292 WeakPolarHBondContact CB-O 3.49Å; L163-C292 VanDerWaalsContact CG-O 3.29Å; L163-C292 WeakPolarHBondContact CG-O 3.34Å; L163-C292 PolarHBondContact N-O 3.26Å; L163-S293 VanDerWaalsContact CD1-C 3.48Å; L163-F297 HydrophobicContact CD1-CB 4.11Å; L163-F297 HydrophobicContact CD1-CD2 3.79Å; L163-F297 HydrophobicContact CD1-CG 4.25Å; L163-W315 HydrophobicContact CB-CZ2 3.91Å; L163-W315 PolarHBondContact O-NE1 3.03Å; L163-R323 HydrophobicContact CD2-CG 4.43Å; L163-L326 HydrophobicContact CD1-CD1 3.41Å; L163-L326 VanDerWaalsContact CD1-CD1 3.41Å; L163-L326 HydrophobicContact CD2-CD1 3.72Å; L163-L326 HydrophobicContact CG-CD1 4.22Å
164F97.6Very high95.6Very high4 Ų451.5 Ų51.52%0.01826%0.264CS..G310 helixtrans-64.5-20.7175-86-25.7000113.5D162 L166 G167 P173 L194 T196 C292 V300 T304 F311 W315D162-F164 PolarHBondContact O-N 3.45Å; D162-F164 VanDerWaalsContact O-N 3.12Å; F164-L166 PolarHBondContact O-N 3.46Å; F164-G167 PolarHBondContact O-N 3.14Å; F164-G167 VanDerWaalsContact O-N 3.09Å; F164-P173 HydrophobicContact CD2-CG 4.34Å; F164-P173 HydrophobicContact CE2-CG 4.04Å; F164-P173 HydrophobicContact CZ-CG 4.36Å; F164-L194 HydrophobicContact CE2-CD1 4.31Å; F164-L194 HydrophobicContact CZ-CB 4.43Å; F164-L194 HydrophobicContact CZ-CD1 3.86Å; F164-T196 HydrophobicContact CD2-CG2 4.3Å; F164-T196 HydrophobicContact CE2-CG2 3.55Å; F164-T196 HydrophobicContact CZ-CG2 4.3Å; F164-C292 HydrophobicContact CD2-CB 4.42Å; F164-C292 HydrophobicContact CG-CB 4.43Å; F164-V300 HydrophobicContact CE1-CG1 3.8Å; F164-V300 HydrophobicContact CE2-CG1 4.18Å; F164-V300 HydrophobicContact CZ-CG1 3.45Å; F164-V300 VanDerWaalsContact CZ-CG1 3.45Å; F164-T304 HydrophobicContact CE1-CG2 4.13Å; F164-F311 AromaticContact CD1-CE1 3.62Å; F164-F311 HydrophobicContact CD1-CE1 3.62Å; F164-F311 AromaticContact CD1-CZ 3.9Å; F164-F311 HydrophobicContact CD1-CZ 3.9Å; F164-F311 AromaticContact CE1-CE1 3.76Å; F164-F311 HydrophobicContact CE1-CE1 3.76Å; F164-F311 HydrophobicContact CE1-CZ 4.47Å; F164-W315 HydrophobicContact CD1-CD2 4.22Å; F164-W315 AromaticContact CD1-CE2 3.94Å; F164-W315 HydrophobicContact CD1-CE3 4.26Å; F164-W315 AromaticContact CD1-CH2 3.8Å; F164-W315 HydrophobicContact CD1-CH2 3.8Å; F164-W315 AromaticContact CD1-CZ2 3.73Å; F164-W315 HydrophobicContact CD1-CZ2 3.73Å; F164-W315 HydrophobicContact CD1-CZ3 4.06Å; F164-W315 HydrophobicContact CE1-CD2 4.48Å; F164-W315 HydrophobicContact CE1-CE3 4.05Å; F164-W315 AromaticContact CE1-CH2 3.61Å; F164-W315 HydrophobicContact CE1-CH2 3.61Å; F164-W315 HydrophobicContact CE1-CZ2 4.05Å; F164-W315 AromaticContact CE1-CZ3 3.61Å; F164-W315 HydrophobicContact CE1-CZ3 3.61Å
165S96.6Very high95.6Very high56 Ų5648.3 Ų48.339%0.39224%0.243SC..G310 helixtrans-58.3-35.9172.3660000112.4D162 L163 G167 G168D162-S165 VanDerWaalsContact O-CB 3.24Å; D162-S165 WeakPolarHBondContact O-CB 3.31Å; D162-S165 PolarHBondContact O-N 3.42Å; D162-S165 PolarHBondContact O-OG 2.93Å; L163-S165 PolarHBondContact O-N 3.24Å; S165-G167 PolarHBondContact O-N 2.69Å; S165-G168 WeakPolarHBondContact O-CA 3.38Å; S165-G168 PolarHBondContact O-N 3.33Å
166L96.5Very high95.6Very high49 Ų4946.7 Ų46.726%0.25723%0.232SC..G310 helixtrans-62.5-26.7176.6-59.1177000112.5L163 F164 G168 A318 L319 N322 R323L163-L166 HydrophobicContact CD2-CD1 4.31Å; L163-L166 WeakPolarHBondContact O-CB 3.4Å; L163-L166 PolarHBondContact O-N 3Å; L163-L166 VanDerWaalsContact O-N 3.17Å; F164-L166 PolarHBondContact O-N 3.46Å; L166-G168 PolarHBondContact O-N 3.27Å; L166-A318 HydrophobicContact CB-CB 4.07Å; L166-A318 WeakPolarHBondContact O-CB 3.1Å; L166-L319 HydrophobicContact CD1-CD2 3.85Å; L166-N322 HydrophobicContact CD1-CB 4.29Å; L166-N322 HydrophobicContact CD2-CB 4.04Å; L166-R323 HydrophobicContact CD1-CG 4.42Å
167G93.7Very high95.7Very high2 Ų246.8 Ų46.82%0.02123%0.231CC..G310 helixtrans-73.2-4.9172.900000114.4F164 S165 T171 R314F164-G167 PolarHBondContact O-N 3.14Å; F164-G167 VanDerWaalsContact O-N 3.09Å; S165-G167 PolarHBondContact O-N 2.69Å; G167-T171 PolarHBondContact O-OG1 3.44Å; G167-R314 PolarHBondContact O-NH2 3.33Å; G167-R314 VanDerWaalsContact O-NH2 3.13Å
168G94Very high95.9Very high24 Ų2442.3 Ų42.325%0.24721%0.214CC..  trans92.9124.1176.700000113.5S165 L166 K170 T171 R172S165-G168 WeakPolarHBondContact O-CA 3.38Å; S165-G168 PolarHBondContact O-N 3.33Å; L166-G168 PolarHBondContact O-N 3.27Å; G168-K170 VanDerWaalsContact C-N 3.27Å; G168-K170 PolarHBondContact O-N 3.4Å; G168-K170 VanDerWaalsContact O-N 3.12Å; G168-T171 PolarHBondContact O-N 3.01Å; G168-T171 PolarHBondContact O-OG1 2.62Å; G168-R172 PolarHBondContact O-N 2.97Å
169E92.3Very high95.9Very high89 Ų8942.2 Ų42.242%0.41621%0.213SC..THydrogen-bonded Turntrans-53.9-34.1-173-17367.5175.700114.6T171 R172 Y175 R176E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 3.49Å; E169-R172 WeakPolarHBondContact O-CG 3.34Å; E169-R172 WeakPolarHBondContact OE2-CD 3.45Å; E169-R172 IonicContact OE2-NE 3.31Å; E169-R172 IonicContact OE2-NH1 3.83Å; E169-R172 PolarHBondContact OE2-NH1 3.01Å; E169-Y175 PolarHBondContact OE1-OH 2.59Å; E169-R176 IonicContact OE1-CZ 2.62Å; E169-R176 IonicContact OE1-NH2 3.02Å; E169-R176 PolarHBondContact OE1-NH2 2.75Å
170K91.1Very high95.9Very high198 Ų19842 Ų4286%0.86121%0.212SC*.THydrogen-bonded Turntrans-75.9-11.7177.9-67.1-177-178.81760114.3G168G168-K170 VanDerWaalsContact C-N 3.27Å; G168-K170 PolarHBondContact O-N 3.4Å; G168-K170 VanDerWaalsContact O-N 3.12Å
171T90.9Very high96.1Very high49 Ų4934.5 Ų34.530%0.30118%0.18SC..THydrogen-bonded Turntrans-130.7-12-169.545.80000115.6G167 G168 E169 F311 R314G167-T171 PolarHBondContact O-OG1 3.44Å; G168-T171 PolarHBondContact O-N 3.01Å; G168-T171 PolarHBondContact O-OG1 2.62Å; E169-T171 VanDerWaalsContact C-N 3.29Å; E169-T171 PolarHBondContact O-N 3.49Å; T171-F311 WeakPolarHBondContact O-CD2 3.49Å; T171-R314 VanDerWaalsContact CG2-NH1 3.29Å; T171-R314 PolarHBondContact OG1-NH1 2.85Å; T171-R314 PolarHBondContact OG1-NH2 3.27Å
172R95Very high96.2Very high16 Ų1631.8 Ų31.86%0.0617%0.167CC..SBendtrans-56158.2165.565.6-179.5-59.4159.67.5111.9D162 G168 E169 Y175 F311D162-R172 IonicContact OD1-CZ 3.57Å; D162-R172 IonicContact OD1-NH1 3.96Å; D162-R172 IonicContact OD1-NH2 2.71Å; D162-R172 PolarHBondContact OD1-NH2 2.71Å; D162-R172 IonicContact OD2-CZ 3.59Å; D162-R172 IonicContact OD2-NH1 2.88Å; D162-R172 PolarHBondContact OD2-NH1 2.71Å; D162-R172 IonicContact OD2-NH2 3.12Å; D162-R172 PolarHBondContact OD2-NH2 3.3Å; G168-R172 PolarHBondContact O-N 2.97Å; E169-R172 WeakPolarHBondContact O-CG 3.34Å; E169-R172 WeakPolarHBondContact OE2-CD 3.45Å; E169-R172 IonicContact OE2-NE 3.31Å; E169-R172 IonicContact OE2-NH1 3.83Å; E169-R172 PolarHBondContact OE2-NH1 3.01Å; R172-Y175 HydrophobicContact CG-CD1 4.5Å; R172-Y175 VanDerWaalsContact CZ-CD1 3.46Å; R172-Y175 VanDerWaalsContact NH2-CG 3.32Å; R172-F311 VanDerWaalsContact CA-CE2 3.46Å; R172-F311 HydrophobicContact CB-CE2 4.09Å; R172-F311 HydrophobicContact CB-CZ 4.22Å
173P93.3Very high96.2Very high20 Ų2031.9 Ų31.913%0.1317%0.17CC..PPolyproline II helixtrans-59.6151.7166-9.922.6000110.6F164 Y175 L194F164-P173 HydrophobicContact CD2-CG 4.34Å; F164-P173 HydrophobicContact CE2-CG 4.04Å; F164-P173 HydrophobicContact CZ-CG 4.36Å; P173-Y175 PolarHBondContact O-N 2.72Å; P173-L194 HydrophobicContact CG-CD1 3.78Å
174P95.3Very high96.3Very high49 Ų4932.6 Ų32.632%0.31817%0.172SC..PPolyproline II helixtrans-55.4134.4162.4-26.338.9000109.9A138 W177 S354A138-P174 HydrophobicContact CB-CB 4Å; P174-W177 HydrophobicContact CB-CZ2 4.41Å; P174-W177 WeakPolarHBondContact O-CH2 3.3Å; P174-W177 WeakPolarHBondContact O-CZ2 3.38Å; P174-S354 WeakPolarHBondContact CG-OG 3.43Å
175Y97.6Very high96.3Very high23 Ų2332.4 Ų32.49%0.0917%0.171CC..  trans-140.1-6.3-161.974.4-82000113.3E169 R172 P173 W177 Q289 N290E169-Y175 PolarHBondContact OE1-OH 2.59Å; R172-Y175 HydrophobicContact CG-CD1 4.5Å; R172-Y175 VanDerWaalsContact CZ-CD1 3.46Å; R172-Y175 VanDerWaalsContact NH2-CG 3.32Å; P173-Y175 PolarHBondContact O-N 2.72Å; Y175-W177 WeakPolarHBondContact O-CZ3 3.4Å; Y175-Q289 CarbonylContact O-C 3.54Å; Y175-Q289 WeakPolarHBondContact O-CA 3.45Å; Y175-Q289 VanDerWaalsContact O-CB 3.25Å; Y175-Q289 WeakPolarHBondContact O-CB 3.28Å; Y175-N290 PolarHBondContact O-N 3.46Å
176R98.1Very high96.4Very high29 Ų2930.2 Ų30.211%0.10916%0.157CC..EExtended strand (participates in β ladder)trans-137.3138.5-178.761.8178.1169.7-146.4-18.8109.8A138 Y140 E142 E169 T288 Q289A138-R176 VanDerWaalsContact CA-O 3.23Å; A138-R176 WeakPolarHBondContact CA-O 3.21Å; Y140-R176 HydrophobicContact CE1-CB 4.46Å; Y140-R176 HydrophobicContact CE1-CG 4.04Å; E142-R176 IonicContact OE1-CZ 2.85Å; E142-R176 IonicContact OE1-NE 3.31Å; E142-R176 IonicContact OE1-NH2 2.87Å; E142-R176 PolarHBondContact OE1-NH2 3.17Å; E169-R176 IonicContact OE1-CZ 2.62Å; E169-R176 IonicContact OE1-NH2 3.02Å; E169-R176 PolarHBondContact OE1-NH2 2.75Å; R176-T288 WeakPolarHBondContact CA-O 3.44Å; R176-Q289 HydrophobicContact CB-CB 4.38Å; R176-Q289 HydrophobicContact CB-CG 3.56Å
177W98.7Very high96.5Very high18 Ų1828.7 Ų28.77%0.06815%0.15CC..EExtended strand (participates in β ladder)trans-136.4130.7-179.8-61-97000111.2F136 D137 A138 P174 Y175 V179 V287 T288 N290F136-W177 HydrophobicContact CD1-CB 4.33Å; F136-W177 AromaticContact CD1-CD1 3.26Å; F136-W177 AromaticContact CD1-CG 3.85Å; F136-W177 HydrophobicContact CD1-CG 3.85Å; F136-W177 AromaticContact CD1-NE1 3.73Å; F136-W177 HydrophobicContact CE1-CB 4.1Å; F136-W177 AromaticContact CE1-CD1 3.2Å; F136-W177 AromaticContact CE1-CD2 3.85Å; F136-W177 HydrophobicContact CE1-CD2 3.85Å; F136-W177 AromaticContact CE1-CE2 3.86Å; F136-W177 AromaticContact CE1-CG 3.47Å; F136-W177 HydrophobicContact CE1-CG 3.47Å; F136-W177 VanDerWaalsContact CE1-CG 3.47Å; F136-W177 AromaticContact CE1-NE1 3.41Å; F136-W177 HydrophobicContact CZ-CB 4.32Å; F136-W177 HydrophobicContact CZ-CD2 4.33Å; F136-W177 HydrophobicContact CZ-CG 4.03Å; D137-W177 WeakPolarHBondContact O-CA 3.49Å; A138-W177 HydrophobicContact CB-CG 4.36Å; P174-W177 HydrophobicContact CB-CZ2 4.41Å; P174-W177 WeakPolarHBondContact O-CH2 3.3Å; P174-W177 WeakPolarHBondContact O-CZ2 3.38Å; Y175-W177 WeakPolarHBondContact O-CZ3 3.4Å; W177-V179 HydrophobicContact CB-CG2 3.78Å; W177-V287 WeakPolarHBondContact O-CA 3.45Å; W177-T288 HydrophobicContact CB-CG2 4.02Å; W177-T288 HydrophobicContact CE3-CG2 4.18Å; W177-T288 PolarHBondContact N-O 2.72Å; W177-T288 PolarHBondContact O-N 3.03Å; W177-T288 VanDerWaalsContact O-N 3.11Å; W177-N290 HydrophobicContact CH2-CB 4.41Å; W177-N290 HydrophobicContact CZ3-CB 4.15Å; W177-N290 WeakPolarHBondContact CZ3-OD1 3.26Å
178F98.8Very high96.7Very high1 Ų128.8 Ų28.80%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-82.6125.2159.6175-95.2000107.9W88 L93 F102 M117 I135 D137 Y140 L149 M180 I285W88-F178 HydrophobicContact CD2-CE2 4.14Å; W88-F178 HydrophobicContact CE3-CE2 4.06Å; W88-F178 HydrophobicContact CH2-CD2 4.06Å; W88-F178 HydrophobicContact CH2-CE2 4.25Å; W88-F178 HydrophobicContact CZ2-CD2 4.3Å; W88-F178 HydrophobicContact CZ2-CE2 4.33Å; W88-F178 HydrophobicContact CZ3-CD2 4.22Å; W88-F178 HydrophobicContact CZ3-CE2 4.11Å; L93-F178 HydrophobicContact CD1-CZ 4.15Å; F102-F178 HydrophobicContact CD1-CD1 4.14Å; F102-F178 HydrophobicContact CE1-CD1 4.08Å; F102-F178 HydrophobicContact CE1-CE1 4.42Å; M117-F178 HydrophobicContact CE-CE1 4.42Å; I135-F178 HydrophobicContact CG2-CD1 3.92Å; I135-F178 HydrophobicContact CG2-CE1 4.19Å; D137-F178 PolarHBondContact N-O 2.89Å; D137-F178 PolarHBondContact O-N 2.76Å; Y140-F178 HydrophobicContact CD1-CB 3.96Å; Y140-F178 HydrophobicContact CE1-CB 4.1Å; Y140-F178 VanDerWaalsContact CE1-N 3.34Å; Y140-F178 HydrophobicContact CG-CB 4.25Å; L149-F178 HydrophobicContact CD1-CB 4.31Å; L149-F178 HydrophobicContact CD1-CD1 4.41Å; L149-F178 HydrophobicContact CD1-CD2 3.95Å; L149-F178 HydrophobicContact CD1-CE2 4.41Å; L149-F178 HydrophobicContact CD1-CG 3.94Å; L149-F178 HydrophobicContact CD2-CD2 4.34Å; L149-F178 HydrophobicContact CD2-CE2 4.19Å; F178-M180 HydrophobicContact CE1-CB 3.8Å; F178-M180 HydrophobicContact CE1-SD 4.12Å; F178-M180 HydrophobicContact CZ-CB 4.11Å; F178-M180 HydrophobicContact CZ-SD 4.11Å; F178-I285 HydrophobicContact CE2-CG2 3.69Å; F178-I285 HydrophobicContact CZ-CG2 3.74Å
179V98.8Very high97Very high1 Ų128 Ų281%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-127.1126.2-167.9-176.50000109.8Y134 I135 F136 W177 A286 T288Y134-V179 HydrophobicContact CD2-CG1 4.45Å; Y134-V179 HydrophobicContact CE1-CG1 4Å; Y134-V179 HydrophobicContact CE2-CG1 3.48Å; Y134-V179 VanDerWaalsContact CE2-CG1 3.48Å; Y134-V179 WeakPolarHBondContact OH-CG1 3.38Å; I135-V179 WeakPolarHBondContact O-CA 3.37Å; F136-V179 HydrophobicContact CD2-CB 4.48Å; F136-V179 HydrophobicContact CD2-CG1 3.96Å; F136-V179 HydrophobicContact CD2-CG2 3.74Å; F136-V179 HydrophobicContact CE2-CG1 4.28Å; F136-V179 HydrophobicContact CE2-CG2 3.75Å; F136-V179 HydrophobicContact CG-CG2 4.46Å; F136-V179 HydrophobicContact CZ-CG2 4.47Å; W177-V179 HydrophobicContact CB-CG2 3.78Å; V179-A286 PolarHBondContact N-O 2.84Å; V179-A286 PolarHBondContact O-N 3.15Å; V179-A286 VanDerWaalsContact O-O 3.13Å; V179-T288 HydrophobicContact CG2-CG2 3.88Å
180M98.9Very high97.2Very high0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-152.7126.1-174.3172.9175.317500111L90 L93 M117 F120 I121 M124 Y134 I135 F178 T284 I285L90-M180 HydrophobicContact CD2-CE 3.34Å; L93-M180 HydrophobicContact CD1-CE 4.48Å; L93-M180 HydrophobicContact CD1-SD 3.98Å; M117-M180 HydrophobicContact CE-SD 4.11Å; M117-M180 HydrophobicContact SD-CE 4.17Å; M117-M180 HydrophobicContact SD-SD 4.11Å; F120-M180 HydrophobicContact CE1-CG 4.28Å; F120-M180 WeakPolarHBondContact CE1-O 3.4Å; F120-M180 WeakPolarHBondContact CZ-O 3.46Å; I121-M180 HydrophobicContact CD1-CE 4.05Å; I121-M180 HydrophobicContact CG1-CE 3.6Å; M124-M180 HydrophobicContact CE-CE 4.14Å; M124-M180 HydrophobicContact CE-CG 4.47Å; M124-M180 HydrophobicContact SD-CE 3.48Å; M124-M180 WeakPolarHBondContact SD-CE 3.11Å; M124-M180 HydrophobicContact SD-CG 4.12Å; Y134-M180 VanDerWaalsContact CD2-O 3.32Å; Y134-M180 WeakPolarHBondContact CD2-O 3.22Å; I135-M180 HydrophobicContact CB-CB 4.14Å; I135-M180 WeakPolarHBondContact CB-O 3.26Å; I135-M180 HydrophobicContact CG2-CB 4.37Å; I135-M180 PolarHBondContact N-O 3.4Å; I135-M180 PolarHBondContact O-N 3.32Å; F178-M180 HydrophobicContact CE1-CB 3.8Å; F178-M180 HydrophobicContact CE1-SD 4.12Å; F178-M180 HydrophobicContact CZ-CB 4.11Å; F178-M180 HydrophobicContact CZ-SD 4.11Å; M180-T284 WeakPolarHBondContact CA-O 3.33Å; M180-I285 HydrophobicContact CG-CG1 4.1Å; M180-I285 HydrophobicContact SD-CG1 4.33Å
181G98.8Very high97.5Very high0 Ų016.4 Ų16.40%09%0.09CC..EExtended strand (participates in β ladder)trans-161.6153.8-173.900000114.6T284G181-T284 PolarHBondContact N-O 3.33Å; G181-T284 VanDerWaalsContact N-O 3.14Å; G181-T284 PolarHBondContact O-N 2.66Å; G181-T284 PolarHBondContact O-OG1 3.46Å
182P98.8Very high97.8Very high0 Ų014.6 Ų14.60%08%0.079CC..  trans-75.5174.2177.934.9-36.2000111.8M124 P132 S185 D283M124-P182 HydrophobicContact CB-CB 4.12Å; M124-P182 HydrophobicContact CG-CB 4.05Å; M124-P182 HydrophobicContact CG-CG 4.24Å; P132-P182 HydrophobicContact CB-CG 3.49Å; P132-P182 VanDerWaalsContact CB-CG 3.49Å; P132-P182 HydrophobicContact CG-CG 3.91Å; P182-S185 WeakPolarHBondContact CD-OG 3.04Å; P182-S185 WeakPolarHBondContact O-CB 3.39Å; P182-S185 PolarHBondContact O-N 2.99Å; P182-S185 PolarHBondContact O-OG 3.37Å; P182-D283 WeakPolarHBondContact CA-OD1 3.16Å
183P98.7Very high97.9Very high36 Ų3617.3 Ų17.323%0.23410%0.098CC..THydrogen-bonded Turntrans-46.5151.4166.6-22.527.6000112.4L40 S185 N280L40-P183 HydrophobicContact CD1-CB 3.75Å; P183-S185 PolarHBondContact O-N 2.89Å; P183-N280 CarbonylContact C-O 3.56Å; P183-N280 WeakPolarHBondContact CA-O 3.35Å
184R98.6Very high98Very high21 Ų2117.1 Ų17.18%0.07910%0.096CC..THydrogen-bonded Turntrans69-21-177.5-50.1-178.3-60.4-80.3-5.6116.3Y34 L40 N127 E128 D129 D130 P132 I236 L279 N280Y34-R184 VanDerWaalsContact C-CD 3.48Å; Y34-R184 VanDerWaalsContact O-CD 3.3Å; Y34-R184 WeakPolarHBondContact O-CD 3.5Å; L40-R184 HydrophobicContact CD1-CG 3.81Å; N127-R184 PolarHBondContact O-NH2 2.92Å; N127-R184 PolarHBondContact OD1-NH2 2.59Å; E128-R184 VanDerWaalsContact C-NH2 3.28Å; D129-R184 VanDerWaalsContact O-CZ 3.27Å; D129-R184 PolarHBondContact O-NE 2.89Å; D129-R184 PolarHBondContact O-NH2 2.72Å; D130-R184 WeakPolarHBondContact O-CB 3.21Å; P132-R184 HydrophobicContact CG-CB 4.43Å; R184-I236 HydrophobicContact CB-CD1 3.69Å; R184-I236 HydrophobicContact CG-CD1 3.71Å; R184-L279 VanDerWaalsContact O-CD1 3.28Å; R184-L279 WeakPolarHBondContact O-CD1 3.3Å; R184-N280 PolarHBondContact N-O 2.75Å
185S98.8Very high98Very high0 Ų015 Ų150%08%0.083CC..  trans-69.5159.4173.170.40000111.2P182 P183 N280P182-S185 WeakPolarHBondContact CD-OG 3.04Å; P182-S185 WeakPolarHBondContact O-CB 3.39Å; P182-S185 PolarHBondContact O-N 2.99Å; P182-S185 PolarHBondContact O-OG 3.37Å; P183-S185 PolarHBondContact O-N 2.89Å; S185-N280 VanDerWaalsContact O-CB 3.22Å; S185-N280 WeakPolarHBondContact O-CB 3.22Å; S185-N280 VanDerWaalsContact O-CG 3.28Å; S185-N280 PolarHBondContact O-N 3.3Å; S185-N280 PolarHBondContact O-ND2 3.11Å; S185-N280 PolarHBondContact OG-ND2 3.27Å
186G98.6Very high98Very high10 Ų1014 Ų1410%0.1038%0.08CC..EExtended strand (participates in β ladder)trans173.7-165.3-178.100000114.2Y134 V278Y134-G186 WeakPolarHBondContact CD1-O 3.37Å; G186-V278 CarbonylContact C-O 3.55Å; G186-V278 WeakPolarHBondContact CA-O 3.08Å
187T98.4Very high98.1Very high17 Ų1712.8 Ų12.810%0.1048%0.075CC..EExtended strand (participates in β ladder)trans-123.3123.6173.5-48.70000108.9H190 V278 C350T187-H190 VanDerWaalsContact CG2-CE1 3.41Å; T187-H190 WeakPolarHBondContact CG2-CE1 3.46Å; T187-V278 PolarHBondContact N-O 3.09Å; T187-V278 PolarHBondContact O-N 3.05Å; T187-C350 HydrophobicContact CG2-CB 4.18Å
188G98.2Very high98.1Very high4 Ų412.1 Ų12.14%0.0417%0.073CC..EExtended strand (participates in β ladder)trans-62.1166177.200000113H190 N233G188-H190 PolarHBondContact O-N 2.83Å; G188-H190 PolarHBondContact O-ND1 2.92Å; G188-N233 WeakPolarHBondContact CA-O 3.42Å
189I98.5Very high98.1Very high7 Ų712.2 Ų12.24%0.0367%0.074CC..EExtended strand (participates in β ladder)trans-62.2126.3-173.1-163.5156.6000112.5F212 V221 K222 W238 W275 H276 V277I189-F212 HydrophobicContact CD1-CD2 3.88Å; I189-F212 HydrophobicContact CD1-CE2 3.73Å; I189-V221 HydrophobicContact CD1-CB 3.89Å; I189-V221 HydrophobicContact CD1-CG2 4.42Å; I189-K222 HydrophobicContact CG2-CD 3.86Å; I189-K222 PolarHBondContact O-NZ 2.78Å; I189-W238 HydrophobicContact CB-CG 4.39Å; I189-W238 HydrophobicContact CD1-CZ2 3.86Å; I189-W275 HydrophobicContact CD1-CB 4.36Å; I189-W275 HydrophobicContact CG1-CB 4.33Å; I189-W275 HydrophobicContact CG1-CE3 4.29Å; I189-H276 WeakPolarHBondContact CA-O 3.47Å; I189-V277 HydrophobicContact CB-CB 3.85Å; I189-V277 HydrophobicContact CB-CG2 4.32Å; I189-V277 HydrophobicContact CD1-CB 4.43Å; I189-V277 HydrophobicContact CD1-CG1 4.36Å; I189-V277 HydrophobicContact CG1-CB 4.14Å
190H97.8Very high98.1Very high34 Ų3412.9 Ų12.916%0.1578%0.077CC..EExtended strand (participates in β ladder)trans-153.6176.3-176.567.1-60.5000111.9T187 G188 W275 H276T187-H190 VanDerWaalsContact CG2-CE1 3.41Å; T187-H190 WeakPolarHBondContact CG2-CE1 3.46Å; G188-H190 PolarHBondContact O-N 2.83Å; G188-H190 PolarHBondContact O-ND1 2.92Å; H190-W275 CarbonylContact O-C 3.51Å; H190-W275 WeakPolarHBondContact O-CA 3.29Å; H190-H276 AromaticContact CE1-CD2 3.56Å; H190-H276 AromaticContact CE1-CE1 3.89Å; H190-H276 AromaticContact CE1-NE2 3.15Å; H190-H276 PolarHBondContact CE1-NE2 3.1Å; H190-H276 PolarHBondContact N-O 2.95Å; H190-H276 AromaticContact ND1-NE2 3.92Å; H190-H276 PolarHBondContact ND1-O 3.47Å; H190-H276 AromaticContact NE2-CE1 3.87Å; H190-H276 AromaticContact NE2-NE2 3.35Å; H190-H276 PolarHBondContact NE2-NE2 2.9Å; H190-H276 PolarHBondContact O-N 2.89Å
191I97.5Very high98.1Very high9 Ų912.9 Ų12.95%0.0468%0.077CC..  trans-123.3140.9169.1-65.9161.4000106.3W275 P343I191-W275 HydrophobicContact CD1-CD2 3.6Å; I191-W275 HydrophobicContact CD1-CE3 3.81Å; I191-W275 HydrophobicContact CD1-CG 4.19Å; I191-W275 HydrophobicContact CD1-CH2 3.84Å; I191-W275 HydrophobicContact CD1-CZ2 3.66Å; I191-W275 HydrophobicContact CD1-CZ3 3.9Å; I191-W275 HydrophobicContact CG1-CD2 3.68Å; I191-W275 HydrophobicContact CG1-CE3 3.61Å; I191-W275 HydrophobicContact CG1-CG 4.09Å; I191-W275 HydrophobicContact CG1-CH2 4.45Å; I191-W275 HydrophobicContact CG1-CZ3 4Å; I191-P343 HydrophobicContact CD1-CB 3.74Å; I191-P343 HydrophobicContact CD1-CG 3.66Å
192D97.7Very high98.1Very high12 Ų1212.9 Ų12.96%0.0648%0.077CC..  trans-59.6143.4-179-89.2-53.3000114T196 A198 H276 N290D192-T196 WeakPolarHBondContact CB-O 3.34Å; D192-A198 WeakPolarHBondContact OD2-CB 3.2Å; D192-H276 IonicContact OD2-CE1 3.96Å; D192-H276 PolarHBondContact OD2-CE1 3.36Å; D192-H276 IonicContact OD2-NE2 3.71Å; D192-N290 PolarHBondContact OD1-ND2 3.11Å
193P96Very high98.1Very high73 Ų7313 Ų1347%0.4748%0.078SC..G310 helixtrans-66151.8-175.628.2-35.9000112G195 T196P193-G195 PolarHBondContact O-N 2.92Å; P193-T196 PolarHBondContact O-N 3.1Å; P193-T196 VanDerWaalsContact O-N 3.17Å; P193-T196 PolarHBondContact O-OG1 3.46Å
194L95.8Very high98.1Very high15 Ų1514.5 Ų14.58%0.0798%0.081CC..G310 helixtrans57.111.3177.6-53.4178.4000115F164 P173 T196 V300 K307F164-L194 HydrophobicContact CE2-CD1 4.31Å; F164-L194 HydrophobicContact CZ-CB 4.43Å; F164-L194 HydrophobicContact CZ-CD1 3.86Å; P173-L194 HydrophobicContact CG-CD1 3.78Å; L194-T196 VanDerWaalsContact C-N 3.28Å; L194-V300 WeakPolarHBondContact O-CA 3.39Å; L194-K307 HydrophobicContact CD2-CB 4Å; L194-K307 HydrophobicContact CD2-CD 4Å
195G95.3Very high98.1Very high4 Ų414.1 Ų14.14%0.0418%0.083CC..G310 helixtrans76.813.9-177.400000114.1P193 V300P193-G195 PolarHBondContact O-N 2.92Å; G195-V300 WeakPolarHBondContact O-CG2 3.32Å
196T98.1Very high98.1Very high4 Ų417.8 Ų17.83%0.02510%0.098CC..  trans-62.2146.3172.450.60000111.1F164 D192 P193 L194 G272 N290 F291 V300F164-T196 HydrophobicContact CD2-CG2 4.3Å; F164-T196 HydrophobicContact CE2-CG2 3.55Å; F164-T196 HydrophobicContact CZ-CG2 4.3Å; D192-T196 WeakPolarHBondContact CB-O 3.34Å; P193-T196 PolarHBondContact O-N 3.1Å; P193-T196 VanDerWaalsContact O-N 3.17Å; P193-T196 PolarHBondContact O-OG1 3.46Å; L194-T196 VanDerWaalsContact C-N 3.28Å; T196-G272 VanDerWaalsContact O-CA 3.32Å; T196-G272 WeakPolarHBondContact O-CA 3.41Å; T196-N290 PolarHBondContact OG1-ND2 3.26Å; T196-F291 WeakPolarHBondContact CB-O 3.09Å; T196-V300 HydrophobicContact CG2-CG1 4.43Å; T196-V300 HydrophobicContact CG2-CG2 4.34Å
197S98.5Very high98.1Very high2 Ų217.4 Ų17.41%0.0149%0.093CC..EExtended strand (participates in β ladder)trans-80.2161.7159.5-53.60000109.2V270 G272 N290 F291 N296S197-V270 CarbonylContact C-O 3.54Å; S197-V270 WeakPolarHBondContact CA-O 3.48Å; S197-V270 WeakPolarHBondContact CB-O 3.1Å; S197-G272 PolarHBondContact OG-N 2.87Å; S197-G272 VanDerWaalsContact OG-N 3.11Å; S197-N290 CarbonylContact O-C 3.6Å; S197-N290 WeakPolarHBondContact O-CA 3.37Å; S197-F291 PolarHBondContact N-O 2.78Å; S197-F291 WeakPolarHBondContact O-CD1 3.08Å; S197-F291 PolarHBondContact O-N 2.72Å; S197-N296 WeakPolarHBondContact CB-ND2 3.32Å; S197-N296 PolarHBondContact N-ND2 2.75Å; S197-N296 VanDerWaalsContact N-ND2 3.12Å; S197-N296 PolarHBondContact OG-ND2 2.89Å
198A98.8Very high98.1Very high4 Ų417.1 Ų17.13%0.0339%0.09CC..EExtended strand (participates in β ladder)trans-133.4161.1175.200000112.1D192 V270 Q289D192-A198 WeakPolarHBondContact OD2-CB 3.2Å; A198-V270 HydrophobicContact CB-CB 4.4Å; A198-V270 PolarHBondContact N-O 3.34Å; A198-V270 PolarHBondContact O-N 2.78Å; A198-Q289 CarbonylContact C-O 3.49Å; A198-Q289 VanDerWaalsContact CA-O 3.25Å; A198-Q289 WeakPolarHBondContact CA-O 3.3Å
199W98.8Very high98.1Very high4 Ų417.1 Ų17.12%0.0159%0.089CC..EExtended strand (participates in β ladder)trans-129.2141.7164.658.5-98.3000109.8W82 Y153 I155 F159 A201 T267 V268 V287 T288 Q289 F291W82-W199 HydrophobicContact CH2-CZ3 4.23Å; Y153-W199 HydrophobicContact CE2-CH2 4.25Å; I155-W199 HydrophobicContact CD1-CH2 4.36Å; I155-W199 HydrophobicContact CD1-CZ2 3.79Å; I155-W199 HydrophobicContact CG2-CZ2 4.48Å; F159-W199 VanDerWaalsContact CB-CD1 3.47Å; F159-W199 HydrophobicContact CB-CG 4.41Å; F159-W199 HydrophobicContact CD1-CB 4.48Å; F159-W199 AromaticContact CD1-CD1 3.92Å; F159-W199 HydrophobicContact CD1-CG 4.47Å; F159-W199 HydrophobicContact CD2-CB 3.71Å; F159-W199 AromaticContact CD2-CD1 3.27Å; F159-W199 AromaticContact CD2-CD2 4Å; F159-W199 HydrophobicContact CD2-CD2 4Å; F159-W199 AromaticContact CD2-CG 3.38Å; F159-W199 HydrophobicContact CD2-CG 3.38Å; F159-W199 AromaticContact CD2-NE1 3.76Å; F159-W199 HydrophobicContact CE1-CB 4.23Å; F159-W199 HydrophobicContact CE2-CB 3.4Å; F159-W199 VanDerWaalsContact CE2-CB 3.4Å; F159-W199 AromaticContact CE2-CD1 3.94Å; F159-W199 HydrophobicContact CE2-CD2 4.4Å; F159-W199 AromaticContact CE2-CG 3.64Å; F159-W199 HydrophobicContact CE2-CG 3.64Å; F159-W199 HydrophobicContact CG-CB 4.24Å; F159-W199 AromaticContact CG-CD1 3.25Å; F159-W199 AromaticContact CG-CG 3.84Å; F159-W199 HydrophobicContact CG-CG 3.84Å; F159-W199 AromaticContact CG-NE1 3.78Å; F159-W199 HydrophobicContact CZ-CB 3.69Å; F159-W199 HydrophobicContact CZ-CG 4.29Å; W199-A201 HydrophobicContact CE3-CB 4.07Å; W199-A201 HydrophobicContact CZ3-CB 3.82Å; W199-T267 HydrophobicContact CB-CG2 4.28Å; W199-T267 HydrophobicContact CE3-CG2 4.27Å; W199-V268 CarbonylContact C-O 3.48Å; W199-V268 VanDerWaalsContact CA-O 3.26Å; W199-V268 WeakPolarHBondContact CA-O 3.46Å; W199-V287 HydrophobicContact CZ3-CG1 4.22Å; W199-V287 WeakPolarHBondContact CZ3-O 3.32Å; W199-T288 CarbonylContact O-C 3.6Å; W199-T288 WeakPolarHBondContact O-CA 3.28Å; W199-T288 PolarHBondContact O-OG1 2.84Å; W199-Q289 HydrophobicContact CD2-CB 4.41Å; W199-Q289 HydrophobicContact CH2-CB 4.39Å; W199-Q289 HydrophobicContact CH2-CG 3.71Å; W199-Q289 HydrophobicContact CZ2-CB 3.68Å; W199-Q289 HydrophobicContact CZ2-CG 3.35Å; W199-Q289 HydrophobicContact CZ3-CG 4.48Å; W199-Q289 PolarHBondContact N-O 3.02Å; W199-Q289 PolarHBondContact O-N 2.96Å; W199-F291 AromaticContact CD1-CD1 3.78Å; W199-F291 AromaticContact CD1-CE1 3.95Å
200N98.9Very high98.2Very high15 Ų1516.8 Ų16.88%0.089%0.087CC..EExtended strand (participates in β ladder)trans-127.5106.5-177.8-165-55.1000110.5W209 Q262 T267 V268 T288N200-W209 HydrophobicContact CB-CH2 3.7Å; N200-W209 HydrophobicContact CB-CZ2 3.84Å; N200-Q262 PolarHBondContact O-NE2 3Å; N200-T267 CarbonylContact O-C 3.6Å; N200-T267 WeakPolarHBondContact O-CA 3.5Å; N200-V268 PolarHBondContact N-O 3.38Å; N200-V268 PolarHBondContact O-N 2.89Å; N200-T288 WeakPolarHBondContact ND2-CB 3.41Å; N200-T288 PolarHBondContact ND2-OG1 2.7Å
201A98.9Very high98.2Very high0 Ų015.2 Ų15.20%08%0.08CC..EExtended strand (participates in β ladder)trans-96.5110.5-177.700000110.7Q79 W82 W199 T267 A286 V287Q79-A201 HydrophobicContact CG-CB 4.47Å; W82-A201 HydrophobicContact CH2-CB 3.32Å; W82-A201 HydrophobicContact CZ2-CB 4.39Å; W82-A201 HydrophobicContact CZ3-CB 3.59Å; W199-A201 HydrophobicContact CE3-CB 4.07Å; W199-A201 HydrophobicContact CZ3-CB 3.82Å; A201-T267 HydrophobicContact CB-CG2 4Å; A201-A286 VanDerWaalsContact O-CA 3.23Å; A201-A286 WeakPolarHBondContact O-CA 3.49Å; A201-A286 WeakPolarHBondContact O-CB 3.29Å; A201-V287 HydrophobicContact CB-CG1 4.22Å; A201-V287 PolarHBondContact N-O 3.3Å; A201-V287 PolarHBondContact O-N 3Å
202L98.9Very high98.2Very high0 Ų014.8 Ų14.80%08%0.077CC..EExtended strand (participates in β ladder)trans-90121.5179.8-175.659.5000110.4Q79 K204 G205 K207 Q262 G265 E266 T284 A286Q79-L202 PolarHBondContact NE2-O 2.91Å; Q79-L202 PolarHBondContact OE1-O 2.78Å; L202-K204 WeakPolarHBondContact CD1-O 3.28Å; L202-G205 WeakPolarHBondContact CD2-O 3.47Å; L202-K207 HydrophobicContact CD1-CD 3.88Å; L202-K207 HydrophobicContact CD1-CG 4.1Å; L202-K207 HydrophobicContact CD2-CB 4.24Å; L202-K207 HydrophobicContact CD2-CD 4.16Å; L202-K207 HydrophobicContact CD2-CG 3.96Å; L202-Q262 HydrophobicContact CB-CG 3.98Å; L202-Q262 VanDerWaalsContact CB-NE2 3.32Å; L202-Q262 HydrophobicContact CD2-CB 4.1Å; L202-Q262 HydrophobicContact CD2-CG 3.76Å; L202-Q262 VanDerWaalsContact CD2-O 3.24Å; L202-Q262 WeakPolarHBondContact CD2-O 3.22Å; L202-G265 PolarHBondContact O-N 2.87Å; L202-E266 PolarHBondContact N-O 3.14Å; L202-T284 HydrophobicContact CD1-CG2 4.24Å; L202-A286 HydrophobicContact CD1-CB 4.04Å
203V98.8Very high98.2Very high2 Ų215.7 Ų15.71%0.0128%0.084CC..EExtended strand (participates in β ladder)trans-102.3-34.9-176.9-179.10000111.6W82 A84 W88 I285W82-V203 HydrophobicContact CE3-CG2 4.05Å; W82-V203 HydrophobicContact CZ3-CG2 4.06Å; A84-V203 HydrophobicContact CB-CG1 3.95Å; A84-V203 HydrophobicContact CB-CG2 4.13Å; A84-V203 WeakPolarHBondContact O-CG1 3.46Å; W88-V203 HydrophobicContact CB-CG1 4.25Å; W88-V203 HydrophobicContact CE3-CB 4.01Å; W88-V203 HydrophobicContact CE3-CG1 4.23Å; W88-V203 HydrophobicContact CE3-CG2 3.73Å; W88-V203 HydrophobicContact CZ3-CG2 3.83Å; V203-I285 PolarHBondContact N-O 2.83Å
204K98.7Very high98.1Very high68 Ų6813.5 Ų13.530%0.2967%0.07SC..EExtended strand (participates in β ladder)trans-139149.7174.6-59.7-62.3167.1-160.90111N85 W88 L202 T284 I285N85-K204 WeakPolarHBondContact O-CE 3.23Å; N85-K204 PolarHBondContact O-NZ 3.07Å; W88-K204 WeakPolarHBondContact O-CG 3.32Å; L202-K204 WeakPolarHBondContact CD1-O 3.28Å; K204-T284 VanDerWaalsContact O-CA 3.26Å; K204-T284 WeakPolarHBondContact O-CA 3.16Å; K204-I285 HydrophobicContact CB-CB 4.21Å; K204-I285 HydrophobicContact CB-CD1 4.28Å; K204-I285 HydrophobicContact CB-CG1 4.33Å; K204-I285 HydrophobicContact CG-CD1 4.13Å; K204-I285 PolarHBondContact N-O 3.04Å; K204-I285 VanDerWaalsContact N-O 3.08Å; K204-I285 PolarHBondContact O-N 3.48Å
205G98.7Very high98Very high12 Ų1220.9 Ų20.912%0.12410%0.097CC..SBendtrans81-170.2177.300000113.6L202 P264 T282 D283L202-G205 WeakPolarHBondContact CD2-O 3.47Å; G205-P264 WeakPolarHBondContact O-CD 3.38Å; G205-P264 WeakPolarHBondContact O-CG 3.44Å; G205-T282 WeakPolarHBondContact CA-OG1 3.36Å; G205-D283 WeakPolarHBondContact CA-O 3.11Å
206Y98.9Very high98Very high78 Ų7821 Ų2131%0.30610%0.096SC..  trans-128.6139.4-178.7-62.1-89.7000110.5L42 L261 Q262 C263 P264 L281 T282 T284L42-Y206 HydrophobicContact CD1-CD1 3.87Å; L42-Y206 HydrophobicContact CD1-CD2 3.91Å; L42-Y206 HydrophobicContact CD1-CE1 3.87Å; L42-Y206 HydrophobicContact CD1-CE2 3.93Å; L42-Y206 HydrophobicContact CD1-CG 3.9Å; L42-Y206 HydrophobicContact CD2-CD1 4.4Å; L42-Y206 HydrophobicContact CD2-CD2 4.08Å; L42-Y206 HydrophobicContact CD2-CG 3.83Å; Y206-L261 HydrophobicContact CD1-CD1 4.28Å; Y206-Q262 WeakPolarHBondContact CA-O 3.42Å; Y206-C263 HydrophobicContact CD1-CB 4.5Å; Y206-C263 HydrophobicContact CE1-CB 4.25Å; Y206-P264 HydrophobicContact CE1-CG 4.49Å; Y206-L281 PolarHBondContact O-N 2.65Å; Y206-T282 HydrophobicContact CD2-CG2 4.07Å; Y206-T282 PolarHBondContact N-OG1 3.09Å; Y206-T284 WeakPolarHBondContact O-CG2 3.1Å
207K98.9Very high97.9Very high1 Ų123.1 Ų23.10%0.00411%0.111CC..EExtended strand (participates in β ladder)trans-120.6130.9176.9-68.5174171.4-66.10110.3Y134 L202 W209 Q262 V278 L279 N280 T284Y134-K207 PolarHBondContact OH-NZ 3.17Å; L202-K207 HydrophobicContact CD1-CD 3.88Å; L202-K207 HydrophobicContact CD1-CG 4.1Å; L202-K207 HydrophobicContact CD2-CB 4.24Å; L202-K207 HydrophobicContact CD2-CD 4.16Å; L202-K207 HydrophobicContact CD2-CG 3.96Å; K207-W209 HydrophobicContact CD-CZ2 4.45Å; K207-Q262 HydrophobicContact CB-CB 4.19Å; K207-Q262 PolarHBondContact N-O 2.92Å; K207-Q262 PolarHBondContact O-N 2.94Å; K207-V278 HydrophobicContact CB-CG1 4.02Å; K207-V278 HydrophobicContact CD-CG1 4.04Å; K207-V278 HydrophobicContact CG-CG1 4.22Å; K207-L279 WeakPolarHBondContact CA-O 3.46Å; K207-N280 PolarHBondContact NZ-OD1 3.06Å; K207-T284 HydrophobicContact CG-CG2 3.9Å
208R98.8Very high97.8Very high12 Ų1227.2 Ų27.25%0.04513%0.128CC..EExtended strand (participates in β ladder)trans-90.8131.1168-176.2-179.2-171.8145.211.3109.3T44 V45 F239 Y243 E259 I260 V278 L279 L281T44-R208 VanDerWaalsContact O-CZ 3.23Å; T44-R208 PolarHBondContact O-NH1 2.83Å; T44-R208 PolarHBondContact O-NH2 2.96Å; T44-R208 PolarHBondContact OG1-NH1 2.73Å; V45-R208 HydrophobicContact CG1-CG 4.06Å; V45-R208 HydrophobicContact CG2-CB 4.2Å; V45-R208 HydrophobicContact CG2-CG 3.8Å; R208-F239 HydrophobicContact CB-CZ 4.41Å; R208-F239 VanDerWaalsContact CD-CE1 3.41Å; R208-F239 HydrophobicContact CG-CE1 3.84Å; R208-F239 HydrophobicContact CG-CZ 3.77Å; R208-F239 VanDerWaalsContact NE-CE1 3.26Å; R208-Y243 PolarHBondContact NH2-OH 3.29Å; R208-E259 IonicContact NH2-OE2 3.19Å; R208-E259 PolarHBondContact NH2-OE2 3.06Å; R208-I260 WeakPolarHBondContact CA-O 3.33Å; R208-V278 WeakPolarHBondContact O-CA 3.41Å; R208-L279 HydrophobicContact CB-CB 4.42Å; R208-L279 PolarHBondContact N-O 3.13Å; R208-L279 PolarHBondContact O-N 3.18Å; R208-L281 HydrophobicContact CB-CD1 4.13Å; R208-L281 HydrophobicContact CB-CD2 3.97Å; R208-L281 HydrophobicContact CB-CG 4.11Å
209W98.9Very high97.6Very high4 Ų433.4 Ų33.42%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-120.9144.8175.6-59.570.7000111N200 K207 L211 E259 I260 V268 V270 V277 V278N200-W209 HydrophobicContact CB-CH2 3.7Å; N200-W209 HydrophobicContact CB-CZ2 3.84Å; K207-W209 HydrophobicContact CD-CZ2 4.45Å; W209-L211 HydrophobicContact CB-CD1 3.85Å; W209-L211 HydrophobicContact CE3-CD1 4.48Å; W209-E259 WeakPolarHBondContact O-CA 3.47Å; W209-I260 HydrophobicContact CB-CB 3.88Å; W209-I260 HydrophobicContact CB-CD1 4.3Å; W209-I260 HydrophobicContact CB-CG1 3.95Å; W209-I260 HydrophobicContact CG-CB 4.16Å; W209-I260 HydrophobicContact CG-CD1 4.41Å; W209-I260 HydrophobicContact CG-CG1 4.43Å; W209-I260 PolarHBondContact N-O 3.48Å; W209-I260 PolarHBondContact O-N 3.05Å; W209-I260 VanDerWaalsContact O-N 3.14Å; W209-V268 HydrophobicContact CZ2-CB 4.31Å; W209-V268 HydrophobicContact CZ2-CG2 4.28Å; W209-V268 HydrophobicContact CZ3-CG1 4.46Å; W209-V270 HydrophobicContact CH2-CG2 4.38Å; W209-V270 HydrophobicContact CZ3-CG2 3.88Å; W209-V277 WeakPolarHBondContact CA-O 3.3Å; W209-V278 HydrophobicContact CD2-CB 4.47Å; W209-V278 HydrophobicContact CD2-CG1 4.09Å; W209-V278 HydrophobicContact CD2-CG2 3.75Å; W209-V278 HydrophobicContact CE3-CG2 3.44Å; W209-V278 VanDerWaalsContact CE3-CG2 3.44Å; W209-V278 HydrophobicContact CG-CG1 4.48Å; W209-V278 HydrophobicContact CH2-CG1 4.5Å; W209-V278 HydrophobicContact CH2-CG2 3.7Å; W209-V278 HydrophobicContact CZ2-CG1 3.99Å; W209-V278 HydrophobicContact CZ2-CG2 4Å; W209-V278 HydrophobicContact CZ3-CG2 3.41Å; W209-V278 VanDerWaalsContact CZ3-CG2 3.41Å
210C98.7Very high97.5Very high0 Ų036 Ų360%017%0.17CC..EExtended strand (participates in β ladder)trans-122.5138.1152.6-64.90000108.2F212 W238 F239 P257 L258 H276 V277C210-F212 HydrophobicContact CB-CE2 4.12Å; C210-W238 HydrophobicContact CB-CH2 3.71Å; C210-W238 HydrophobicContact CB-CZ3 3.85Å; C210-F239 VanDerWaalsContact SG-CE1 3.54Å; C210-P257 HydrophobicContact CB-CB 4.13Å; C210-L258 CarbonylContact C-O 3.58Å; C210-L258 WeakPolarHBondContact CA-O 3.43Å; C210-H276 WeakPolarHBondContact O-CA 3.41Å; C210-V277 HydrophobicContact CB-CG1 3.79Å; C210-V277 PolarHBondContact N-O 2.98Å; C210-V277 PolarHBondContact O-N 2.72Å; C210-V277 VanDerWaalsContact O-N 3.08Å
211L98.7Very high97.4Very high0 Ų035.3 Ų35.30%017%0.166CC..EExtended strand (participates in β ladder)trans-127.3144.7175.3-53.987.6000110.4P72 W209 P257 L258 I260 V270 W274 W275 H276P72-L211 HydrophobicContact CB-CD2 4.18Å; P72-L211 HydrophobicContact CG-CD2 4.29Å; W209-L211 HydrophobicContact CB-CD1 3.85Å; W209-L211 HydrophobicContact CE3-CD1 4.48Å; L211-P257 WeakPolarHBondContact O-CA 3.27Å; L211-L258 HydrophobicContact CB-CB 4.38Å; L211-L258 WeakPolarHBondContact CD1-O 3.21Å; L211-L258 PolarHBondContact N-O 3.07Å; L211-L258 PolarHBondContact O-N 2.95Å; L211-I260 HydrophobicContact CD1-CD1 3.62Å; L211-I260 HydrophobicContact CD1-CG1 3.8Å; L211-V270 HydrophobicContact CD2-CG1 4.42Å; L211-V270 HydrophobicContact CD2-CG2 4.46Å; L211-W274 HydrophobicContact CB-CE3 3.8Å; L211-W274 HydrophobicContact CB-CZ3 4.24Å; L211-W275 CarbonylContact C-O 3.56Å; L211-W275 WeakPolarHBondContact CA-O 3.28Å; L211-H276 HydrophobicContact CD2-CB 4.13Å; L211-H276 HydrophobicContact CG-CB 3.91Å
212F98.2Very high97.3Very high0 Ų036.8 Ų36.80%017%0.173CC..EExtended strand (participates in β ladder)trans-130.3144.5177.1-51.9-102.2000110.6I189 C210 T216 V221 W238 T246 W251 Y255 P257 W275I189-F212 HydrophobicContact CD1-CD2 3.88Å; I189-F212 HydrophobicContact CD1-CE2 3.73Å; C210-F212 HydrophobicContact CB-CE2 4.12Å; F212-T216 HydrophobicContact CB-CG2 4.22Å; F212-T216 HydrophobicContact CD1-CG2 4.48Å; F212-V221 HydrophobicContact CB-CG1 4.31Å; F212-V221 HydrophobicContact CD1-CG1 3.75Å; F212-V221 HydrophobicContact CD2-CG1 3.88Å; F212-V221 HydrophobicContact CE1-CG1 3.94Å; F212-V221 HydrophobicContact CE2-CG1 4.08Å; F212-V221 HydrophobicContact CG-CG1 3.71Å; F212-V221 HydrophobicContact CZ-CG1 4.09Å; F212-W238 AromaticContact CE2-CH2 3.75Å; F212-W238 HydrophobicContact CE2-CH2 3.75Å; F212-W238 AromaticContact CE2-CZ2 3.48Å; F212-W238 HydrophobicContact CE2-CZ2 3.48Å; F212-W238 VanDerWaalsContact CE2-CZ2 3.48Å; F212-W238 AromaticContact CZ-CH2 3.68Å; F212-W238 HydrophobicContact CZ-CH2 3.68Å; F212-W238 AromaticContact CZ-CZ2 3.55Å; F212-W238 HydrophobicContact CZ-CZ2 3.55Å; F212-T246 HydrophobicContact CE1-CG2 4.14Å; F212-T246 HydrophobicContact CZ-CG2 4.01Å; F212-W251 AromaticContact CE1-CZ2 3.87Å; F212-W251 HydrophobicContact CE1-CZ2 3.87Å; F212-Y255 VanDerWaalsContact CD1-O 3.3Å; F212-Y255 WeakPolarHBondContact CD1-O 3.37Å; F212-P257 HydrophobicContact CD1-CB 4.34Å; F212-P257 HydrophobicContact CE1-CB 3.71Å; F212-P257 HydrophobicContact CE1-CG 4.27Å; F212-P257 HydrophobicContact CE2-CB 4.4Å; F212-P257 HydrophobicContact CZ-CB 3.74Å; F212-P257 HydrophobicContact CZ-CG 4.43Å; F212-W275 HydrophobicContact CB-CB 4.02Å; F212-W275 HydrophobicContact CD2-CB 4.22Å; F212-W275 PolarHBondContact N-O 3.45Å; F212-W275 PolarHBondContact O-N 2.8Å
213P96Very high97.2Very high31 Ų3137.6 Ų37.620%0.20118%0.178CC..  trans-62.2157.7-174.824.1-33.8000112.3R215 T216 Y255 W274P213-R215 PolarHBondContact O-N 3.02Å; P213-T216 WeakPolarHBondContact CD-OG1 3.37Å; P213-T216 WeakPolarHBondContact CG-OG1 3.24Å; P213-T216 WeakPolarHBondContact O-CB 3.34Å; P213-T216 PolarHBondContact O-N 3.42Å; P213-T216 PolarHBondContact O-OG1 2.89Å; P213-Y255 HydrophobicContact CG-CD1 4.31Å; P213-W274 HydrophobicContact CB-CH2 4.22Å; P213-W274 HydrophobicContact CB-CZ2 4.37Å; P213-W274 HydrophobicContact CB-CZ3 4.4Å
214P94.3Very high97Very high28 Ų2842.9 Ų42.918%0.18220%0.201CC..THydrogen-bonded Turntrans-57.1-24.9-175.7-25.433.4000115.1G273 P343P214-G273 WeakPolarHBondContact CA-O 3.41Å; P214-P343 HydrophobicContact CB-CG 3.85Å; P214-P343 WeakPolarHBondContact O-CB 3.37Å; P214-P343 WeakPolarHBondContact O-CG 3.44Å
215R93.6Very high96.7Very high170 Ų17045.1 Ų45.164%0.64222%0.223SC*.THydrogen-bonded Turntrans-79.4-11.6178.5-67.5-178.5178.4157.52.9114.4P213 P217 D341P213-R215 PolarHBondContact O-N 3.02Å; R215-P217 WeakPolarHBondContact O-CD 3.4Å; R215-D341 IonicContact CZ-OD1 3.16Å; R215-D341 IonicContact CZ-OD2 3.3Å; R215-D341 VanDerWaalsContact NE-CG 3.32Å; R215-D341 IonicContact NE-OD1 2.72Å; R215-D341 PolarHBondContact NE-OD1 2.73Å; R215-D341 IonicContact NE-OD2 2.72Å; R215-D341 VanDerWaalsContact NH2-CG 3.3Å; R215-D341 IonicContact NH2-OD1 3.8Å; R215-D341 PolarHBondContact NH2-OD1 3.38Å; R215-D341 IonicContact NH2-OD2 4Å; R215-D341 PolarHBondContact NH2-OD2 2.89Å
216T96.4Very high96.5Very high5 Ų549.1 Ų49.13%0.03125%0.249CC..SBendtrans-63.3125.8-175.3-59.70000111.7F212 P213 K218 V221 Y255 W275F212-T216 HydrophobicContact CB-CG2 4.22Å; F212-T216 HydrophobicContact CD1-CG2 4.48Å; P213-T216 WeakPolarHBondContact CD-OG1 3.37Å; P213-T216 WeakPolarHBondContact CG-OG1 3.24Å; P213-T216 WeakPolarHBondContact O-CB 3.34Å; P213-T216 PolarHBondContact O-N 3.42Å; P213-T216 PolarHBondContact O-OG1 2.89Å; T216-K218 PolarHBondContact O-N 3.24Å; T216-V221 HydrophobicContact CG2-CG1 3.49Å; T216-V221 VanDerWaalsContact CG2-CG1 3.49Å; T216-Y255 HydrophobicContact CG2-CD1 4.03Å; T216-Y255 HydrophobicContact CG2-CD2 4.39Å; T216-Y255 HydrophobicContact CG2-CG 3.86Å; T216-Y255 WeakPolarHBondContact OG1-CD1 3.22Å; T216-W275 PolarHBondContact O-NE1 2.88Å; T216-W275 VanDerWaalsContact O-NE1 3.1Å
217P96.2Very high96.2Very high50 Ų5046 Ų4633%0.32524%0.237SC..  trans-53.1129.3175.2-27.833.8000112.2R215 E219 L220 Y255R215-P217 WeakPolarHBondContact O-CD 3.4Å; P217-E219 PolarHBondContact O-N 3.24Å; P217-E219 VanDerWaalsContact O-N 3.14Å; P217-L220 HydrophobicContact CB-CD1 4.23Å; P217-L220 HydrophobicContact CB-CG 4.19Å; P217-L220 HydrophobicContact CG-CD1 4.11Å; P217-L220 PolarHBondContact O-N 3.16Å; P217-L220 VanDerWaalsContact O-N 3.13Å; P217-Y255 VanDerWaalsContact CD-CE2 3.47Å; P217-Y255 HydrophobicContact CG-CE2 4.11Å
218K95.5Very high95.7Very high88 Ų8846.4 Ų46.438%0.38324%0.242SC..Hα-helixtrans-57.5-32.4-177.5170.5178.3147.1-94.70111.8T216 L220 V221 K222 W275T216-K218 PolarHBondContact O-N 3.24Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-V221 PolarHBondContact O-N 3.25Å; K218-K222 HydrophobicContact CG-CG 3.63Å; K218-K222 VanDerWaalsContact O-CB 3.28Å; K218-K222 WeakPolarHBondContact O-CB 3.4Å; K218-K222 VanDerWaalsContact O-CG 3.26Å; K218-K222 WeakPolarHBondContact O-CG 3.18Å; K218-K222 PolarHBondContact O-N 2.88Å; K218-W275 HydrophobicContact CB-CH2 4.2Å; K218-W275 HydrophobicContact CB-CZ2 3.85Å; K218-W275 HydrophobicContact CD-CH2 4.37Å; K218-W275 HydrophobicContact CG-CH2 4.01Å; K218-W275 HydrophobicContact CG-CZ2 4.18Å
219E95.2Very high95.3Very high134 Ų13448.5 Ų48.563%0.62627%0.267SS*.Hα-helixtrans-73.6-22.5-175.3-68.656.5-128.300112.6P217P217-E219 PolarHBondContact O-N 3.24Å; P217-E219 VanDerWaalsContact O-N 3.14Å
220L96.4Very high95Very high58 Ų5854.1 Ų54.130%0.30429%0.292SS..Hα-helixtrans-76.2-41.3170.9-65.6178000111.6P217 K218 W251 P252 Y255P217-L220 HydrophobicContact CB-CD1 4.23Å; P217-L220 HydrophobicContact CB-CG 4.19Å; P217-L220 HydrophobicContact CG-CD1 4.11Å; P217-L220 PolarHBondContact O-N 3.16Å; P217-L220 VanDerWaalsContact O-N 3.13Å; K218-L220 VanDerWaalsContact C-N 3.33Å; L220-W251 HydrophobicContact CB-CH2 3.94Å; L220-P252 HydrophobicContact CD1-CG 4.45Å; L220-Y255 HydrophobicContact CD1-CD2 3.64Å; L220-Y255 HydrophobicContact CD1-CE2 4.12Å
221V97.3Very high94.7Very high0 Ų054.4 Ų54.40%029%0.293CS..Hα-helixtrans-97.2-17.5-169.6-63.60000114.4I189 F212 T216 K218 W238 W275I189-V221 HydrophobicContact CD1-CB 3.89Å; I189-V221 HydrophobicContact CD1-CG2 4.42Å; F212-V221 HydrophobicContact CB-CG1 4.31Å; F212-V221 HydrophobicContact CD1-CG1 3.75Å; F212-V221 HydrophobicContact CD2-CG1 3.88Å; F212-V221 HydrophobicContact CE1-CG1 3.94Å; F212-V221 HydrophobicContact CE2-CG1 4.08Å; F212-V221 HydrophobicContact CG-CG1 3.71Å; F212-V221 HydrophobicContact CZ-CG1 4.09Å; T216-V221 HydrophobicContact CG2-CG1 3.49Å; T216-V221 VanDerWaalsContact CG2-CG1 3.49Å; K218-V221 PolarHBondContact O-N 3.25Å; V221-W238 PolarHBondContact O-NE1 2.97Å; V221-W275 HydrophobicContact CG2-CD2 3.9Å; V221-W275 HydrophobicContact CG2-CE3 4.37Å; V221-W275 HydrophobicContact CG2-CG 4.13Å; V221-W275 HydrophobicContact CG2-CZ2 4.44Å
222K96.6Very high94.5Very high31 Ų3158.9 Ų58.914%0.13531%0.31CS..SBendtrans-84.2141.4173.9-70.2-70.9177-178.90111.1I189 K218 S346 S348I189-K222 HydrophobicContact CG2-CD 3.86Å; I189-K222 PolarHBondContact O-NZ 2.78Å; K218-K222 HydrophobicContact CG-CG 3.63Å; K218-K222 VanDerWaalsContact O-CB 3.28Å; K218-K222 WeakPolarHBondContact O-CB 3.4Å; K218-K222 VanDerWaalsContact O-CG 3.26Å; K218-K222 WeakPolarHBondContact O-CG 3.18Å; K218-K222 PolarHBondContact O-N 2.88Å; K222-S346 PolarHBondContact NZ-OG 3.24Å; K222-S348 PolarHBondContact NZ-OG 3.07Å
223P95.9Very high94.3Very high18 Ų1861.8 Ų61.812%0.11733%0.326CS..PPolyproline II helixtrans-57.5139.3168.9-24.135.7000111.3D227 R232 V242P223-D227 HydrophobicContact CB-CB 3.88Å; P223-R232 HydrophobicContact CB-CG 3.78Å; P223-R232 WeakPolarHBondContact CG-O 3.39Å; P223-V242 HydrophobicContact CB-CG2 4.12Å; P223-V242 HydrophobicContact CG-CG2 3.82Å
224K95.3Very high94.4Very high113 Ų11362.1 Ų62.149%0.49133%0.325SS..PPolyproline II helixtrans-64.8159.2177-63.8178.2-179.6-177.20110S226 D227 R232K224-S226 PolarHBondContact O-N 3.02Å; K224-D227 WeakPolarHBondContact CB-OD2 3.34Å; K224-D227 PolarHBondContact N-OD2 3.36Å; K224-D227 WeakPolarHBondContact O-CB 3.44Å; K224-D227 PolarHBondContact O-N 2.83Å; K224-R232 WeakPolarHBondContact O-CD 3.43Å
225P93.2Very high94.6Very high115 Ų11560.8 Ų60.875%0.74732%0.316SS*.THydrogen-bonded Turntrans-54.6-28.7177.3-2836.3000114.7
226S93.6Very high94.8Very high96 Ų9652.7 Ų52.767%0.67129%0.285SS*.THydrogen-bonded Turntrans-78.8-20.2175.752.30000115.2K224K224-S226 PolarHBondContact O-N 3.02Å
227D93.4Very high94.8Very high11 Ų1152.5 Ų52.56%0.05928%0.284CS..SBendtrans-77.3134.6-171.9-64.5-14.1000110.4P223 K224 G229 R232 Y241 R245P223-D227 HydrophobicContact CB-CB 3.88Å; K224-D227 WeakPolarHBondContact CB-OD2 3.34Å; K224-D227 PolarHBondContact N-OD2 3.36Å; K224-D227 WeakPolarHBondContact O-CB 3.44Å; K224-D227 PolarHBondContact O-N 2.83Å; D227-G229 PolarHBondContact O-N 3.02Å; D227-R232 WeakPolarHBondContact O-CB 3.22Å; D227-R232 WeakPolarHBondContact O-CG 3.4Å; D227-Y241 HydrophobicContact CB-CD1 4.33Å; D227-Y241 HydrophobicContact CB-CD2 4.15Å; D227-Y241 HydrophobicContact CB-CG 3.82Å; D227-R245 VanDerWaalsContact CG-NH2 3.29Å; D227-R245 IonicContact OD1-NH2 3.3Å; D227-R245 PolarHBondContact OD1-NH2 2.99Å; D227-R245 IonicContact OD2-CZ 3.57Å; D227-R245 VanDerWaalsContact OD2-CZ 3.31Å; D227-R245 IonicContact OD2-NH1 2.72Å; D227-R245 PolarHBondContact OD2-NH1 3.11Å; D227-R245 IonicContact OD2-NH2 2.73Å; D227-R245 PolarHBondContact OD2-NH2 3.28Å
228G87.8Confident94.9Very high10 Ų1050.2 Ų50.210%0.10327%0.269CS..SBendtrans64.8-2.9169.700000118.2K230 N231 R232G228-K230 PolarHBondContact O-N 3.36Å; G228-N231 CarbonylContact O-C 3.49Å; G228-N231 WeakPolarHBondContact O-CA 3.48Å; G228-N231 PolarHBondContact O-N 2.98Å; G228-R232 PolarHBondContact O-N 3.15Å
229G91Very high95.1Very high56 Ų5646.3 Ų46.358%0.57725%0.252SS*.G310 helixtrans53.8-122.5177.900000112.7D227 N231 R232D227-G229 PolarHBondContact O-N 3.02Å; G229-N231 PolarHBondContact O-N 3.35Å; G229-R232 WeakPolarHBondContact O-CB 3.4Å; G229-R232 PolarHBondContact O-N 3.47Å
230K91.6Very high95.2Very high123 Ų12341.9 Ų41.954%0.53523%0.234SC..G310 helixtrans-66.9-19.7177.2-62-175.7179.8-176.40113.6R19 E21 L22 G228R19-K230 PolarHBondContact NH2-O 3.38Å; E21-K230 HydrophobicContact CG-CB 4.45Å; E21-K230 VanDerWaalsContact O-CD 3.31Å; E21-K230 WeakPolarHBondContact O-CD 3.39Å; E21-K230 VanDerWaalsContact O-CE 3.29Å; E21-K230 WeakPolarHBondContact O-CE 3.31Å; E21-K230 PolarHBondContact O-NZ 2.96Å; L22-K230 HydrophobicContact CD2-CB 3.59Å; L22-K230 HydrophobicContact CD2-CD 3.89Å; L22-K230 HydrophobicContact CD2-CG 4.4Å; G228-K230 PolarHBondContact O-N 3.36Å
231N91.9Very high95.2Very high6 Ų643.1 Ų43.13%0.03224%0.236CC..G310 helixtrans-97.49.2176.8-69.8-30.3000113R19 G228 G229 N233 E234 S237R19-N231 PolarHBondContact NH1-OD1 3.05Å; R19-N231 PolarHBondContact NH2-OD1 2.85Å; R19-N231 VanDerWaalsContact NH2-OD1 3.15Å; G228-N231 CarbonylContact O-C 3.49Å; G228-N231 WeakPolarHBondContact O-CA 3.48Å; G228-N231 PolarHBondContact O-N 2.98Å; G229-N231 PolarHBondContact O-N 3.35Å; N231-N233 PolarHBondContact O-N 3.3Å; N231-E234 HydrophobicContact CB-CB 4.43Å; N231-E234 HydrophobicContact CB-CG 3.9Å; N231-E234 VanDerWaalsContact O-CB 3.24Å; N231-E234 WeakPolarHBondContact O-CB 3.5Å; N231-E234 VanDerWaalsContact O-CG 3.28Å; N231-E234 WeakPolarHBondContact O-CG 3.44Å; N231-E234 PolarHBondContact O-N 3.42Å; N231-S237 VanDerWaalsContact O-CB 3.23Å; N231-S237 WeakPolarHBondContact O-CB 3.46Å; N231-S237 PolarHBondContact O-OG 3.1Å; N231-S237 VanDerWaalsContact O-OG 3.11Å
232R94.5Very high95.3Very high93 Ų9343.1 Ų43.135%0.35124%0.236SC..THydrogen-bonded Turntrans-43.2-41.7-176.9-175.9179.776.1-162.46.4115.1P223 K224 D227 G228 G229P223-R232 HydrophobicContact CB-CG 3.78Å; P223-R232 WeakPolarHBondContact CG-O 3.39Å; K224-R232 WeakPolarHBondContact O-CD 3.43Å; D227-R232 WeakPolarHBondContact O-CB 3.22Å; D227-R232 WeakPolarHBondContact O-CG 3.4Å; G228-R232 PolarHBondContact O-N 3.15Å; G229-R232 WeakPolarHBondContact O-CB 3.4Å; G229-R232 PolarHBondContact O-N 3.47Å
233N94.5Very high95.4Very high62 Ų6242.8 Ų42.833%0.33223%0.234SC..THydrogen-bonded Turntrans-91.42.7-173.9-51-45.2000113.7G188 N231 S349G188-N233 WeakPolarHBondContact CA-O 3.42Å; N231-N233 PolarHBondContact O-N 3.3Å; N233-S349 PolarHBondContact ND2-OG 3.25Å; N233-S349 VanDerWaalsContact ND2-OG 3.11Å
234E97.9Very high95.4Very high38 Ų3845.4 Ų45.418%0.17825%0.25CS..SBendtrans-79.7150.3-179.5-58.2-62.5145.900111.7R19 S131 N231 I236 S237 W238R19-E234 IonicContact CZ-OE1 2.75Å; R19-E234 VanDerWaalsContact CZ-OE1 3.3Å; R19-E234 IonicContact NE-OE1 3.7Å; R19-E234 VanDerWaalsContact NH1-CD 3.28Å; R19-E234 IonicContact NH1-OE1 3.17Å; R19-E234 PolarHBondContact NH1-OE1 2.75Å; R19-E234 IonicContact NH1-OE2 3.63Å; S131-E234 WeakPolarHBondContact CB-OE2 3.21Å; S131-E234 PolarHBondContact OG-OE2 2.76Å; N231-E234 HydrophobicContact CB-CB 4.43Å; N231-E234 HydrophobicContact CB-CG 3.9Å; N231-E234 VanDerWaalsContact O-CB 3.24Å; N231-E234 WeakPolarHBondContact O-CB 3.5Å; N231-E234 VanDerWaalsContact O-CG 3.28Å; N231-E234 WeakPolarHBondContact O-CG 3.44Å; N231-E234 PolarHBondContact O-N 3.42Å; E234-I236 VanDerWaalsContact C-N 3.34Å; E234-I236 HydrophobicContact CB-CG2 4.43Å; E234-I236 PolarHBondContact O-N 2.74Å; E234-S237 PolarHBondContact O-N 2.88Å; E234-W238 PolarHBondContact O-N 2.87Å; E234-W238 VanDerWaalsContact O-N 3.09Å
235A98.6Very high95.5Very high0 Ų043.3 Ų43.30%024%0.239CC..Hα-helixtrans-57.8-45.2-17900000112.5S237 W238 F239 V277 V278 L279A235-S237 PolarHBondContact O-N 2.99Å; A235-W238 WeakPolarHBondContact O-CB 3.39Å; A235-W238 PolarHBondContact O-N 3.35Å; A235-W238 VanDerWaalsContact O-N 3.15Å; A235-F239 VanDerWaalsContact O-CD2 3.31Å; A235-F239 WeakPolarHBondContact O-CD2 3.25Å; A235-F239 PolarHBondContact O-N 3Å; A235-F239 VanDerWaalsContact O-N 3.1Å; A235-V277 HydrophobicContact CB-CG2 4.34Å; A235-V278 VanDerWaalsContact CB-O 3.23Å; A235-V278 WeakPolarHBondContact CB-O 3.15Å; A235-L279 HydrophobicContact CB-CD1 4.15Å
236I98.3Very high95.7Very high0 Ų038.3 Ų38.30%021%0.207CC..Hα-helixtrans-63.6-40.6-179.9-168.8155.6000112.3Y34 F38 D130 R184 E234 W238 F239 V240 L279Y34-I236 HydrophobicContact CD2-CB 4.44Å; Y34-I236 HydrophobicContact CD2-CD1 3.71Å; Y34-I236 HydrophobicContact CD2-CG1 3.82Å; Y34-I236 HydrophobicContact CD2-CG2 3.8Å; Y34-I236 HydrophobicContact CE2-CG1 4.2Å; Y34-I236 HydrophobicContact CE2-CG2 3.89Å; Y34-I236 HydrophobicContact CG-CD1 3.79Å; Y34-I236 HydrophobicContact CG-CG1 4.19Å; F38-I236 HydrophobicContact CB-CD1 4.19Å; F38-I236 HydrophobicContact CD1-CD1 3.89Å; F38-I236 HydrophobicContact CD1-CG1 4.26Å; F38-I236 HydrophobicContact CD2-CD1 4.38Å; F38-I236 HydrophobicContact CD2-CG1 4.19Å; F38-I236 HydrophobicContact CE1-CD1 4.42Å; F38-I236 HydrophobicContact CE1-CG1 4.4Å; F38-I236 HydrophobicContact CE2-CG1 4.33Å; F38-I236 HydrophobicContact CG-CD1 3.87Å; F38-I236 HydrophobicContact CG-CG1 4.16Å; F38-I236 HydrophobicContact CZ-CG1 4.44Å; D130-I236 WeakPolarHBondContact O-CG2 3.39Å; R184-I236 HydrophobicContact CB-CD1 3.69Å; R184-I236 HydrophobicContact CG-CD1 3.71Å; E234-I236 VanDerWaalsContact C-N 3.34Å; E234-I236 HydrophobicContact CB-CG2 4.43Å; E234-I236 PolarHBondContact O-N 2.74Å; I236-W238 VanDerWaalsContact C-N 3.28Å; I236-W238 PolarHBondContact O-N 3.36Å; I236-F239 CarbonylContact O-C 3.45Å; I236-F239 PolarHBondContact O-N 2.77Å; I236-F239 VanDerWaalsContact O-N 3.11Å; I236-V240 HydrophobicContact CG1-CG2 4.49Å; I236-V240 WeakPolarHBondContact O-CG2 2.93Å; I236-V240 PolarHBondContact O-N 3.15Å; I236-L279 HydrophobicContact CB-CD1 3.9Å; I236-L279 HydrophobicContact CG1-CD1 4.5Å
237S97Very high95.9Very high1 Ų137.9 Ų37.91%0.00719%0.194CC..Hα-helixtrans-65.1-32.8175.3-66.30000111.9N231 E234 A235 V240 Y241N231-S237 VanDerWaalsContact O-CB 3.23Å; N231-S237 WeakPolarHBondContact O-CB 3.46Å; N231-S237 PolarHBondContact O-OG 3.1Å; N231-S237 VanDerWaalsContact O-OG 3.11Å; E234-S237 PolarHBondContact O-N 2.88Å; A235-S237 PolarHBondContact O-N 2.99Å; S237-V240 PolarHBondContact O-N 2.71Å; S237-Y241 VanDerWaalsContact O-CD2 3.22Å; S237-Y241 WeakPolarHBondContact O-CD2 3.24Å; S237-Y241 PolarHBondContact O-N 3.17Å
238W98.5Very high96Very high2 Ų239.2 Ų39.21%0.00821%0.207CC..Hα-helixtrans-61.7-45.6170.3-170.492.5000112.1I189 C210 F212 V221 E234 A235 I236 V240 V242 Y243 V277I189-W238 HydrophobicContact CB-CG 4.39Å; I189-W238 HydrophobicContact CD1-CZ2 3.86Å; C210-W238 HydrophobicContact CB-CH2 3.71Å; C210-W238 HydrophobicContact CB-CZ3 3.85Å; F212-W238 AromaticContact CE2-CH2 3.75Å; F212-W238 HydrophobicContact CE2-CH2 3.75Å; F212-W238 AromaticContact CE2-CZ2 3.48Å; F212-W238 HydrophobicContact CE2-CZ2 3.48Å; F212-W238 VanDerWaalsContact CE2-CZ2 3.48Å; F212-W238 AromaticContact CZ-CH2 3.68Å; F212-W238 HydrophobicContact CZ-CH2 3.68Å; F212-W238 AromaticContact CZ-CZ2 3.55Å; F212-W238 HydrophobicContact CZ-CZ2 3.55Å; V221-W238 PolarHBondContact O-NE1 2.97Å; E234-W238 PolarHBondContact O-N 2.87Å; E234-W238 VanDerWaalsContact O-N 3.09Å; A235-W238 WeakPolarHBondContact O-CB 3.39Å; A235-W238 PolarHBondContact O-N 3.35Å; A235-W238 VanDerWaalsContact O-N 3.15Å; I236-W238 VanDerWaalsContact C-N 3.28Å; I236-W238 PolarHBondContact O-N 3.36Å; W238-V240 VanDerWaalsContact C-N 3.29Å; W238-V240 PolarHBondContact O-N 3.32Å; W238-V242 HydrophobicContact CD2-CB 4.05Å; W238-V242 HydrophobicContact CD2-CG1 4.49Å; W238-V242 HydrophobicContact CG-CB 4.16Å; W238-V242 HydrophobicContact CG-CG2 4.32Å; W238-V242 HydrophobicContact CZ2-CB 4.1Å; W238-V242 HydrophobicContact CZ2-CG1 3.68Å; W238-V242 WeakPolarHBondContact O-CA 3.27Å; W238-V242 WeakPolarHBondContact O-CB 3.37Å; W238-V242 PolarHBondContact O-N 2.98Å; W238-Y243 HydrophobicContact CZ3-CD2 4.18Å; W238-Y243 HydrophobicContact CZ3-CG 4.43Å; W238-Y243 PolarHBondContact O-N 3.04Å; W238-Y243 VanDerWaalsContact O-N 3.08Å; W238-V277 HydrophobicContact CB-CG2 4.04Å; W238-V277 HydrophobicContact CD2-CB 4.31Å; W238-V277 HydrophobicContact CD2-CG1 3.78Å; W238-V277 HydrophobicContact CD2-CG2 4.06Å; W238-V277 HydrophobicContact CE3-CB 4.38Å; W238-V277 HydrophobicContact CE3-CG1 3.52Å; W238-V277 HydrophobicContact CE3-CG2 4.13Å; W238-V277 HydrophobicContact CG-CG2 4Å; W238-V277 HydrophobicContact CH2-CG1 4.04Å; W238-V277 HydrophobicContact CZ2-CG1 4.27Å; W238-V277 HydrophobicContact CZ3-CG1 3.65Å
239F98.4Very high96.4Very high6 Ų645.2 Ų45.23%0.02625%0.247CC..Hα-helixtrans-69.3-22.1176.4-78-75.7000114.1F38 R208 C210 A235 I236 Y243 V277 L279F38-F239 HydrophobicContact CE2-CB 4.34Å; F38-F239 HydrophobicContact CZ-CB 3.84Å; R208-F239 HydrophobicContact CB-CZ 4.41Å; R208-F239 VanDerWaalsContact CD-CE1 3.41Å; R208-F239 HydrophobicContact CG-CE1 3.84Å; R208-F239 HydrophobicContact CG-CZ 3.77Å; R208-F239 VanDerWaalsContact NE-CE1 3.26Å; C210-F239 VanDerWaalsContact SG-CE1 3.54Å; A235-F239 VanDerWaalsContact O-CD2 3.31Å; A235-F239 WeakPolarHBondContact O-CD2 3.25Å; A235-F239 PolarHBondContact O-N 3Å; A235-F239 VanDerWaalsContact O-N 3.1Å; I236-F239 CarbonylContact O-C 3.45Å; I236-F239 PolarHBondContact O-N 2.77Å; I236-F239 VanDerWaalsContact O-N 3.11Å; F239-Y243 HydrophobicContact CD1-CD2 4.14Å; F239-Y243 AromaticContact CD1-CG 3.99Å; F239-Y243 HydrophobicContact CD1-CG 3.99Å; F239-Y243 HydrophobicContact CE1-CD2 4.21Å; F239-V277 HydrophobicContact CE2-CG1 4.26Å; F239-V277 HydrophobicContact CE2-CG2 4.13Å; F239-V277 HydrophobicContact CZ-CG1 4.16Å; F239-L279 HydrophobicContact CD2-CB 3.72Å; F239-L279 HydrophobicContact CD2-CD2 3.92Å; F239-L279 HydrophobicContact CD2-CG 4.35Å; F239-L279 HydrophobicContact CE2-CB 3.55Å; F239-L279 HydrophobicContact CE2-CD2 4.48Å; F239-L279 HydrophobicContact CG-CD2 4.34Å; F239-L279 HydrophobicContact CZ-CB 4.49Å
240V97.7Very high96.7Very high41 Ų4149 Ų4925%0.24825%0.254CS..Hα-helixtrans-80.6-45173.7171.70000112.2Y34 F38 I236 S237 W238 P244Y34-V240 HydrophobicContact CD1-CG2 4.43Å; Y34-V240 HydrophobicContact CE1-CG2 3.73Å; F38-V240 HydrophobicContact CD2-CG2 3.52Å; F38-V240 HydrophobicContact CE2-CG2 3.47Å; F38-V240 VanDerWaalsContact CE2-CG2 3.47Å; I236-V240 HydrophobicContact CG1-CG2 4.49Å; I236-V240 WeakPolarHBondContact O-CG2 2.93Å; I236-V240 PolarHBondContact O-N 3.15Å; S237-V240 PolarHBondContact O-N 2.71Å; W238-V240 VanDerWaalsContact C-N 3.29Å; W238-V240 PolarHBondContact O-N 3.32Å; V240-P244 WeakPolarHBondContact O-CG 3.49Å
241Y97.2Very high97Very high84 Ų8444.5 Ų44.533%0.32923%0.234SC..Hα-helixtrans-105.6-27.8-168-63.7-74.1000115D227 S237 R245D227-Y241 HydrophobicContact CB-CD1 4.33Å; D227-Y241 HydrophobicContact CB-CD2 4.15Å; D227-Y241 HydrophobicContact CB-CG 3.82Å; S237-Y241 VanDerWaalsContact O-CD2 3.22Å; S237-Y241 WeakPolarHBondContact O-CD2 3.24Å; S237-Y241 PolarHBondContact O-N 3.17Å; Y241-R245 PolarHBondContact O-NE 2.94Å; Y241-R245 PolarHBondContact O-NH2 3.26Å
242V98Very high97.2Very high0 Ų046.1 Ų46.10%025%0.245CC..THydrogen-bonded Turntrans-103.3-47.5-177.1-174.30000111.4P223 W238 R245P223-V242 HydrophobicContact CB-CG2 4.12Å; P223-V242 HydrophobicContact CG-CG2 3.82Å; W238-V242 HydrophobicContact CD2-CB 4.05Å; W238-V242 HydrophobicContact CD2-CG1 4.49Å; W238-V242 HydrophobicContact CG-CB 4.16Å; W238-V242 HydrophobicContact CG-CG2 4.32Å; W238-V242 HydrophobicContact CZ2-CB 4.1Å; W238-V242 HydrophobicContact CZ2-CG1 3.68Å; W238-V242 WeakPolarHBondContact O-CA 3.27Å; W238-V242 WeakPolarHBondContact O-CB 3.37Å; W238-V242 PolarHBondContact O-N 2.98Å; V242-R245 VanDerWaalsContact O-CB 3.26Å; V242-R245 WeakPolarHBondContact O-CB 3.46Å; V242-R245 PolarHBondContact O-N 2.94Å
243Y98.2Very high97.3Very high24 Ų2447.3 Ų47.39%0.09426%0.262CS..G310 helixtrans-51.7-44.2-178.2175.8-94.3000114.1H46 R208 W238 F239 R245 T246 Q247 E259H46-Y243 PolarHBondContact CD2-OH 3.05Å; R208-Y243 PolarHBondContact NH2-OH 3.29Å; W238-Y243 HydrophobicContact CZ3-CD2 4.18Å; W238-Y243 HydrophobicContact CZ3-CG 4.43Å; W238-Y243 PolarHBondContact O-N 3.04Å; W238-Y243 VanDerWaalsContact O-N 3.08Å; F239-Y243 HydrophobicContact CD1-CD2 4.14Å; F239-Y243 AromaticContact CD1-CG 3.99Å; F239-Y243 HydrophobicContact CD1-CG 3.99Å; F239-Y243 HydrophobicContact CE1-CD2 4.21Å; Y243-R245 PolarHBondContact O-N 3.44Å; Y243-R245 VanDerWaalsContact O-N 3.16Å; Y243-T246 WeakPolarHBondContact O-CB 3.31Å; Y243-T246 PolarHBondContact O-N 2.83Å; Y243-T246 PolarHBondContact O-OG1 3.1Å; Y243-Q247 HydrophobicContact CD1-CG 4.35Å; Y243-Q247 HydrophobicContact CE1-CG 3.77Å; Y243-Q247 HydrophobicContact CE2-CG 4.47Å; Y243-Q247 VanDerWaalsContact CZ-NE2 3.34Å; Y243-Q247 PolarHBondContact OH-NE2 3.02Å; Y243-E259 WeakPolarHBondContact CE2-OE2 3.46Å; Y243-E259 PolarHBondContact OH-OE2 2.76Å
244P97.5Very high97.4Very high72 Ų7250.2 Ų50.247%0.46827%0.274SS..G310 helixtrans-60.4-27.9178-25.436.6000114V240 T246 Q247V240-P244 WeakPolarHBondContact O-CG 3.49Å; P244-T246 VanDerWaalsContact C-N 3.29Å; P244-T246 PolarHBondContact O-N 3.41Å; P244-Q247 PolarHBondContact O-N 2.92Å
245R97.2Very high97.3Very high70 Ų7050.7 Ų50.726%0.26427%0.274SS..G310 helixtrans-66.9-32.5174.9-53.3176.1-178.4146.37.7111.3D227 Y241 V242 Y243 Q247 A248 W251D227-R245 VanDerWaalsContact CG-NH2 3.29Å; D227-R245 IonicContact OD1-NH2 3.3Å; D227-R245 PolarHBondContact OD1-NH2 2.99Å; D227-R245 IonicContact OD2-CZ 3.57Å; D227-R245 VanDerWaalsContact OD2-CZ 3.31Å; D227-R245 IonicContact OD2-NH1 2.72Å; D227-R245 PolarHBondContact OD2-NH1 3.11Å; D227-R245 IonicContact OD2-NH2 2.73Å; D227-R245 PolarHBondContact OD2-NH2 3.28Å; Y241-R245 PolarHBondContact O-NE 2.94Å; Y241-R245 PolarHBondContact O-NH2 3.26Å; V242-R245 VanDerWaalsContact O-CB 3.26Å; V242-R245 WeakPolarHBondContact O-CB 3.46Å; V242-R245 PolarHBondContact O-N 2.94Å; Y243-R245 PolarHBondContact O-N 3.44Å; Y243-R245 VanDerWaalsContact O-N 3.16Å; R245-Q247 PolarHBondContact O-N 3.01Å; R245-A248 WeakPolarHBondContact O-CB 3.09Å; R245-A248 PolarHBondContact O-N 3.05Å; R245-W251 HydrophobicContact CB-CE3 4.26Å; R245-W251 HydrophobicContact CB-CZ3 4.05Å; R245-W251 VanDerWaalsContact O-CE3 3.24Å
246T97.5Very high97.2Very high9 Ų953.1 Ų53.16%0.05529%0.289CS..G310 helixtrans-72.8-9.6177.476.40000114.1F212 Y243 P244 W251 P257F212-T246 HydrophobicContact CE1-CG2 4.14Å; F212-T246 HydrophobicContact CZ-CG2 4.01Å; Y243-T246 WeakPolarHBondContact O-CB 3.31Å; Y243-T246 PolarHBondContact O-N 2.83Å; Y243-T246 PolarHBondContact O-OG1 3.1Å; P244-T246 VanDerWaalsContact C-N 3.29Å; P244-T246 PolarHBondContact O-N 3.41Å; T246-W251 HydrophobicContact CG2-CD2 4.35Å; T246-W251 HydrophobicContact CG2-CE3 4.39Å; T246-W251 HydrophobicContact CG2-CH2 3.84Å; T246-W251 HydrophobicContact CG2-CZ2 3.8Å; T246-W251 HydrophobicContact CG2-CZ3 4.14Å; T246-P257 HydrophobicContact CG2-CG 4.39Å
247Q96.6Very high97.2Very high87 Ų8753.2 Ų53.241%0.40729%0.29SS..G310 helixtrans-104.8-1.2178.3-50.5-61.3-59.900111.8Y243 P244 R245Y243-Q247 HydrophobicContact CD1-CG 4.35Å; Y243-Q247 HydrophobicContact CE1-CG 3.77Å; Y243-Q247 HydrophobicContact CE2-CG 4.47Å; Y243-Q247 VanDerWaalsContact CZ-NE2 3.34Å; Y243-Q247 PolarHBondContact OH-NE2 3.02Å; P244-Q247 PolarHBondContact O-N 2.92Å; R245-Q247 PolarHBondContact O-N 3.01Å
248A96.8Very high97.3Very high40 Ų4054.5 Ų54.533%0.33130%0.296SS..SBendtrans-78.2148.4176.800000110.8R245 D250 W251R245-A248 WeakPolarHBondContact O-CB 3.09Å; R245-A248 PolarHBondContact O-N 3.05Å; A248-D250 WeakPolarHBondContact CB-OD1 3.21Å; A248-D250 PolarHBondContact O-N 2.61Å; A248-W251 WeakPolarHBondContact O-CB 3.41Å; A248-W251 PolarHBondContact O-N 2.87Å; A248-W251 VanDerWaalsContact O-N 3.13Å
249S96.3Very high97.3Very high135 Ų13554.4 Ų54.494%0.94430%0.296SS*.THydrogen-bonded Turntrans-67.8-16.1-175.9520000114.4
250D96.5Very high97.3Very high135 Ų13554.1 Ų54.172%0.72230%0.295SS*.THydrogen-bonded Turntrans-94.53.7176.665.7-36.5000113.4A248A248-D250 WeakPolarHBondContact CB-OD1 3.21Å; A248-D250 PolarHBondContact O-N 2.61Å
251W97.6Very high97.3Very high29 Ų2953.5 Ų53.511%0.1129%0.29CS..SBendtrans-68.6131.2175.3-173.2-94.1000111.4F212 L220 R245 T246 A248 T253 Y255F212-W251 AromaticContact CE1-CZ2 3.87Å; F212-W251 HydrophobicContact CE1-CZ2 3.87Å; L220-W251 HydrophobicContact CB-CH2 3.94Å; R245-W251 HydrophobicContact CB-CE3 4.26Å; R245-W251 HydrophobicContact CB-CZ3 4.05Å; R245-W251 VanDerWaalsContact O-CE3 3.24Å; T246-W251 HydrophobicContact CG2-CD2 4.35Å; T246-W251 HydrophobicContact CG2-CE3 4.39Å; T246-W251 HydrophobicContact CG2-CH2 3.84Å; T246-W251 HydrophobicContact CG2-CZ2 3.8Å; T246-W251 HydrophobicContact CG2-CZ3 4.14Å; A248-W251 WeakPolarHBondContact O-CB 3.41Å; A248-W251 PolarHBondContact O-N 2.87Å; A248-W251 VanDerWaalsContact O-N 3.13Å; W251-T253 PolarHBondContact O-N 3.33Å; W251-Y255 VanDerWaalsContact NE1-C 3.32Å; W251-Y255 PolarHBondContact NE1-O 2.69Å
252P97.4Very high97.4Very high41 Ų4149.5 Ų49.527%0.26628%0.275SS..  trans-61119.8-179.9-22.832.7000112.3L220 E254 Y255 T256L220-P252 HydrophobicContact CD1-CG 4.45Å; P252-E254 VanDerWaalsContact C-N 3.25Å; P252-E254 WeakPolarHBondContact CB-OE2 3.43Å; P252-E254 PolarHBondContact O-N 2.85Å; P252-Y255 HydrophobicContact CB-CD2 3.88Å; P252-Y255 HydrophobicContact CB-CE2 4.49Å; P252-Y255 HydrophobicContact CG-CD2 4.35Å; P252-Y255 CarbonylContact O-C 2.97Å; P252-Y255 PolarHBondContact O-N 3.18Å; P252-T256 PolarHBondContact O-N 3.02Å
253T96Very high97.5Very high117 Ų11751.4 Ų51.472%0.71829%0.287SS*.G310 helixtrans-58.1-36.5-172.2-51.30000112.5W251 Y255 T256W251-T253 PolarHBondContact O-N 3.33Å; T253-Y255 PolarHBondContact O-N 3.17Å; T253-T256 WeakPolarHBondContact O-CB 3.37Å; T253-T256 PolarHBondContact O-N 3.19Å; T253-T256 VanDerWaalsContact O-N 3.1Å; T253-T256 PolarHBondContact O-OG1 3.43Å
254E95.5Very high97.5Very high124 Ų12453.1 Ų53.158%0.57930%0.301SS*.G310 helixtrans-65.8-14.6177.273.4-83.1-158.700114P252P252-E254 VanDerWaalsContact C-N 3.25Å; P252-E254 WeakPolarHBondContact CB-OE2 3.43Å; P252-E254 PolarHBondContact O-N 2.85Å
255Y96.7Very high97.5Very high48 Ų4850.9 Ų50.919%0.18829%0.291CS..G310 helixtrans-115.920.2174.8-52.2-43000112.5F212 P213 T216 P217 L220 W251 P252 T253F212-Y255 VanDerWaalsContact CD1-O 3.3Å; F212-Y255 WeakPolarHBondContact CD1-O 3.37Å; P213-Y255 HydrophobicContact CG-CD1 4.31Å; T216-Y255 HydrophobicContact CG2-CD1 4.03Å; T216-Y255 HydrophobicContact CG2-CD2 4.39Å; T216-Y255 HydrophobicContact CG2-CG 3.86Å; T216-Y255 WeakPolarHBondContact OG1-CD1 3.22Å; P217-Y255 VanDerWaalsContact CD-CE2 3.47Å; P217-Y255 HydrophobicContact CG-CE2 4.11Å; L220-Y255 HydrophobicContact CD1-CD2 3.64Å; L220-Y255 HydrophobicContact CD1-CE2 4.12Å; W251-Y255 VanDerWaalsContact NE1-C 3.32Å; W251-Y255 PolarHBondContact NE1-O 2.69Å; P252-Y255 HydrophobicContact CB-CD2 3.88Å; P252-Y255 HydrophobicContact CB-CE2 4.49Å; P252-Y255 HydrophobicContact CG-CD2 4.35Å; P252-Y255 CarbonylContact O-C 2.97Å; P252-Y255 PolarHBondContact O-N 3.18Å; T253-Y255 PolarHBondContact O-N 3.17Å
256T97.1Very high97.6Very high51 Ų5148 Ų4831%0.31328%0.281SS..PPolyproline II helixtrans-54.8130.3170.3-58.70000109.8R48 P252 T253 L258R48-T256 VanDerWaalsContact NH1-CG2 3.32Å; P252-T256 PolarHBondContact O-N 3.02Å; T253-T256 WeakPolarHBondContact O-CB 3.37Å; T253-T256 PolarHBondContact O-N 3.19Å; T253-T256 VanDerWaalsContact O-N 3.1Å; T253-T256 PolarHBondContact O-OG1 3.43Å; T256-L258 PolarHBondContact O-N 2.84Å
257P97.7Very high97.7Very high2 Ų247.8 Ų47.81%0.01328%0.279CS..PPolyproline II helixtrans-64.5136.118024.5-33.4000111.7R48 C210 L211 F212 T246 E259R48-P257 PolarHBondContact NH2-O 3.34Å; C210-P257 HydrophobicContact CB-CB 4.13Å; L211-P257 WeakPolarHBondContact O-CA 3.27Å; F212-P257 HydrophobicContact CD1-CB 4.34Å; F212-P257 HydrophobicContact CE1-CB 3.71Å; F212-P257 HydrophobicContact CE1-CG 4.27Å; F212-P257 HydrophobicContact CE2-CB 4.4Å; F212-P257 HydrophobicContact CZ-CB 3.74Å; F212-P257 HydrophobicContact CZ-CG 4.43Å; T246-P257 HydrophobicContact CG2-CG 4.39Å; P257-E259 HydrophobicContact CB-CG 4.41Å
258L98.2Very high97.8Very high27 Ų2743.6 Ų43.614%0.14126%0.26CS..EExtended strand (participates in β ladder)trans-78.1119.2160.3-173.165.6000108.1R48 C49 P72 C210 L211 T256 W274R48-L258 HydrophobicContact CB-CD1 4.49Å; C49-L258 HydrophobicContact CB-CD1 4.22Å; C49-L258 HydrophobicContact CB-CD2 4.43Å; C49-L258 HydrophobicContact CB-CG 4.22Å; P72-L258 HydrophobicContact CB-CD2 3.8Å; P72-L258 HydrophobicContact CG-CD2 3.89Å; C210-L258 CarbonylContact C-O 3.58Å; C210-L258 WeakPolarHBondContact CA-O 3.43Å; L211-L258 HydrophobicContact CB-CB 4.38Å; L211-L258 WeakPolarHBondContact CD1-O 3.21Å; L211-L258 PolarHBondContact N-O 3.07Å; L211-L258 PolarHBondContact O-N 2.95Å; T256-L258 PolarHBondContact O-N 2.84Å; L258-W274 HydrophobicContact CB-CZ3 4.45Å
259E98.7Very high97.9Very high0 Ų041.7 Ų41.70%024%0.244CC..EExtended strand (participates in β ladder)trans-107.3143.5-175.2-80-178.6-95.500112H46 R48 C49 R208 W209 Y243 P257H46-E259 WeakPolarHBondContact O-CB 3.34Å; R48-E259 IonicContact CZ-OE1 2.76Å; R48-E259 PolarHBondContact N-O 3.28Å; R48-E259 IonicContact NH2-OE1 3.61Å; R48-E259 PolarHBondContact NH2-OE1 2.85Å; C49-E259 PolarHBondContact N-O 2.68Å; R208-E259 IonicContact NH2-OE2 3.19Å; R208-E259 PolarHBondContact NH2-OE2 3.06Å; W209-E259 WeakPolarHBondContact O-CA 3.47Å; Y243-E259 WeakPolarHBondContact CE2-OE2 3.46Å; Y243-E259 PolarHBondContact OH-OE2 2.76Å; P257-E259 HydrophobicContact CB-CG 4.41Å
260I98.8Very high98Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-136.9129.4178.7-34.8-176.2000110.6C49 V74 R208 W209 L211 Q262 V268C49-I260 HydrophobicContact CB-CB 4.48Å; C49-I260 HydrophobicContact CB-CD1 4.03Å; C49-I260 HydrophobicContact CB-CG1 3.69Å; C49-I260 HydrophobicContact CB-CG2 4.38Å; V74-I260 HydrophobicContact CG2-CD1 4.11Å; V74-I260 HydrophobicContact CG2-CG2 3.47Å; V74-I260 VanDerWaalsContact CG2-CG2 3.47Å; R208-I260 WeakPolarHBondContact CA-O 3.33Å; W209-I260 HydrophobicContact CB-CB 3.88Å; W209-I260 HydrophobicContact CB-CD1 4.3Å; W209-I260 HydrophobicContact CB-CG1 3.95Å; W209-I260 HydrophobicContact CG-CB 4.16Å; W209-I260 HydrophobicContact CG-CD1 4.41Å; W209-I260 HydrophobicContact CG-CG1 4.43Å; W209-I260 PolarHBondContact N-O 3.48Å; W209-I260 PolarHBondContact O-N 3.05Å; W209-I260 VanDerWaalsContact O-N 3.14Å; L211-I260 HydrophobicContact CD1-CD1 3.62Å; L211-I260 HydrophobicContact CD1-CG1 3.8Å; I260-Q262 HydrophobicContact CG2-CB 4.47Å; I260-V268 HydrophobicContact CD1-CG1 3.76Å; I260-V268 HydrophobicContact CD1-CG2 4.04Å
261L98.8Very high98.1Very high29 Ų2929 Ų2915%0.15217%0.166CC..EExtended strand (participates in β ladder)trans-95.790.7157175.760.3000107.7L42 V45 D47 R51 Y206 C263 L281L42-L261 HydrophobicContact CB-CD1 4.37Å; L42-L261 HydrophobicContact CB-CD2 4Å; L42-L261 HydrophobicContact CD2-CD1 4.18Å; V45-L261 HydrophobicContact CB-CB 4.1Å; V45-L261 HydrophobicContact CG1-CB 3.85Å; V45-L261 HydrophobicContact CG2-CD1 4.35Å; D47-L261 HydrophobicContact CB-CB 4.27Å; D47-L261 PolarHBondContact OD2-N 3.38Å; R51-L261 PolarHBondContact NH2-O 3.15Å; R51-L261 VanDerWaalsContact NH2-O 3.11Å; Y206-L261 HydrophobicContact CD1-CD1 4.28Å; L261-C263 PolarHBondContact O-N 2.93Å; L261-L281 HydrophobicContact CD1-CD1 3.82Å
262Q98.9Very high98Very high0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-73.7122.2178.9-172.9-175.212.700109.8N200 L202 Y206 K207 I260 E266 V268N200-Q262 PolarHBondContact O-NE2 3Å; L202-Q262 HydrophobicContact CB-CG 3.98Å; L202-Q262 VanDerWaalsContact CB-NE2 3.32Å; L202-Q262 HydrophobicContact CD2-CB 4.1Å; L202-Q262 HydrophobicContact CD2-CG 3.76Å; L202-Q262 VanDerWaalsContact CD2-O 3.24Å; L202-Q262 WeakPolarHBondContact CD2-O 3.22Å; Y206-Q262 WeakPolarHBondContact CA-O 3.42Å; K207-Q262 HydrophobicContact CB-CB 4.19Å; K207-Q262 PolarHBondContact N-O 2.92Å; K207-Q262 PolarHBondContact O-N 2.94Å; I260-Q262 HydrophobicContact CG2-CB 4.47Å; Q262-E266 HydrophobicContact CG-CB 4.01Å; Q262-E266 PolarHBondContact NE2-O 3.43Å; Q262-V268 HydrophobicContact CB-CG2 4.24Å; Q262-V268 HydrophobicContact CG-CG2 3.9Å
263C98.7Very high98Very high39 Ų3926.5 Ų26.526%0.26416%0.156SC..PPolyproline II helixtrans-92.4163.4178.6-62.80000112.5Y206 L261 G265 E266Y206-C263 HydrophobicContact CD1-CB 4.5Å; Y206-C263 HydrophobicContact CE1-CB 4.25Å; L261-C263 PolarHBondContact O-N 2.93Å; C263-G265 PolarHBondContact O-N 3.19Å; C263-E266 HydrophobicContact CB-CG 4.03Å; C263-E266 PolarHBondContact N-OE2 2.87Å; C263-E266 WeakPolarHBondContact O-CB 3.44Å; C263-E266 PolarHBondContact O-N 3.16Å; C263-E266 VanDerWaalsContact O-N 3.14Å
264P98.6Very high98.1Very high60 Ų6022.2 Ų22.239%0.3913%0.127SC..THydrogen-bonded Turntrans-54.6134.6169.4-23.632.4000112.1G205 Y206 E266G205-P264 WeakPolarHBondContact O-CD 3.38Å; G205-P264 WeakPolarHBondContact O-CG 3.44Å; Y206-P264 HydrophobicContact CE1-CG 4.49Å; P264-E266 VanDerWaalsContact C-N 3.3Å
265G98.5Very high98.2Very high25 Ų2516.5 Ų16.526%0.25810%0.1SC..THydrogen-bonded Turntrans87.4-13.4-176.600000114.6Q79 L202 C263Q79-G265 PolarHBondContact NE2-O 2.87Å; L202-G265 PolarHBondContact O-N 2.87Å; C263-G265 PolarHBondContact O-N 3.19Å
266E98.8Very high98.3Very high11 Ų1114.7 Ų14.75%0.0519%0.093CC..  trans-83.9143.1178.8-60.5-165.5132.100112.2R51 V74 Q76 Q79 L202 Q262 C263 P264R51-E266 IonicContact CZ-OE1 3.26Å; R51-E266 IonicContact CZ-OE2 2.86Å; R51-E266 IonicContact NE-OE1 3.03Å; R51-E266 PolarHBondContact NE-OE1 3.08Å; R51-E266 IonicContact NE-OE2 3.76Å; R51-E266 IonicContact NH2-OE1 3.81Å; R51-E266 IonicContact NH2-OE2 2.76Å; R51-E266 PolarHBondContact NH2-OE2 3.33Å; R51-E266 VanDerWaalsContact NH2-OE2 3.1Å; V74-E266 HydrophobicContact CG1-CB 3.79Å; V74-E266 HydrophobicContact CG1-CG 4.09Å; Q76-E266 HydrophobicContact CG-CG 4.45Å; Q76-E266 PolarHBondContact NE2-OE1 3.21Å; Q79-E266 PolarHBondContact NE2-O 3.14Å; Q79-E266 VanDerWaalsContact NE2-O 3.16Å; L202-E266 PolarHBondContact N-O 3.14Å; Q262-E266 HydrophobicContact CG-CB 4.01Å; Q262-E266 PolarHBondContact NE2-O 3.43Å; C263-E266 HydrophobicContact CB-CG 4.03Å; C263-E266 PolarHBondContact N-OE2 2.87Å; C263-E266 WeakPolarHBondContact O-CB 3.44Å; C263-E266 PolarHBondContact O-N 3.16Å; C263-E266 VanDerWaalsContact O-N 3.14Å; P264-E266 VanDerWaalsContact C-N 3.3Å
267T98.9Very high98.4Very high3 Ų312.2 Ų12.22%0.0188%0.078CC..EExtended strand (participates in β ladder)trans-120.8110.3178.8-50.50000110I75 Q79 F159 W199 N200 A201I75-T267 WeakPolarHBondContact CA-O 3.33Å; I75-T267 WeakPolarHBondContact CB-O 3.45Å; I75-T267 PolarHBondContact N-O 2.88Å; I75-T267 PolarHBondContact O-N 3.06Å; Q79-T267 PolarHBondContact NE2-OG1 3.46Å; Q79-T267 VanDerWaalsContact NE2-OG1 3.08Å; F159-T267 HydrophobicContact CE2-CG2 4.32Å; W199-T267 HydrophobicContact CB-CG2 4.28Å; W199-T267 HydrophobicContact CE3-CG2 4.27Å; N200-T267 CarbonylContact O-C 3.6Å; N200-T267 WeakPolarHBondContact O-CA 3.5Å; A201-T267 HydrophobicContact CB-CG2 4Å
268V98.9Very high98.4Very high0 Ų012.4 Ų12.40%08%0.079CC..EExtended strand (participates in β ladder)trans-78.9129.3177.5177.40000109.3V74 W199 N200 W209 I260 Q262 V270V74-V268 HydrophobicContact CG2-CG2 4.39Å; W199-V268 CarbonylContact C-O 3.48Å; W199-V268 VanDerWaalsContact CA-O 3.26Å; W199-V268 WeakPolarHBondContact CA-O 3.46Å; N200-V268 PolarHBondContact N-O 3.38Å; N200-V268 PolarHBondContact O-N 2.89Å; W209-V268 HydrophobicContact CZ2-CB 4.31Å; W209-V268 HydrophobicContact CZ2-CG2 4.28Å; W209-V268 HydrophobicContact CZ3-CG1 4.46Å; I260-V268 HydrophobicContact CD1-CG1 3.76Å; I260-V268 HydrophobicContact CD1-CG2 4.04Å; Q262-V268 HydrophobicContact CB-CG2 4.24Å; Q262-V268 HydrophobicContact CG-CG2 3.9Å; V268-V270 HydrophobicContact CG1-CG2 3.91Å
269F98.8Very high98.5Very high0 Ų011.1 Ų11.10%07%0.073CC..EExtended strand (participates in β ladder)trans-90.1127.1164.1169.4-122.5000109.7F62 E67 Q71 V73 I75 F159 P271 F291F62-F269 HydrophobicContact CE2-CB 4.46Å; F62-F269 HydrophobicContact CE2-CD1 4.05Å; F62-F269 HydrophobicContact CE2-CG 4.22Å; F62-F269 HydrophobicContact CZ-CB 4.47Å; F62-F269 AromaticContact CZ-CD1 3.85Å; F62-F269 HydrophobicContact CZ-CD1 3.85Å; F62-F269 HydrophobicContact CZ-CD2 4.1Å; F62-F269 HydrophobicContact CZ-CE1 4.05Å; F62-F269 HydrophobicContact CZ-CE2 4.31Å; F62-F269 AromaticContact CZ-CG 3.87Å; F62-F269 HydrophobicContact CZ-CG 3.87Å; F62-F269 HydrophobicContact CZ-CZ 4.29Å; E67-F269 HydrophobicContact CB-CZ 4.27Å; E67-F269 HydrophobicContact CG-CZ 3.91Å; Q71-F269 WeakPolarHBondContact O-CD1 3.49Å; V73-F269 HydrophobicContact CG1-CB 4.04Å; V73-F269 HydrophobicContact CG1-CD1 4.17Å; V73-F269 PolarHBondContact O-N 2.88Å; I75-F269 HydrophobicContact CD1-CB 4.34Å; F159-F269 AromaticContact CE1-CD2 3.84Å; F159-F269 HydrophobicContact CE1-CD2 3.84Å; F159-F269 HydrophobicContact CE1-CE2 4.47Å; F159-F269 HydrophobicContact CE1-CG 4.43Å; F159-F269 HydrophobicContact CZ-CB 4.28Å; F159-F269 HydrophobicContact CZ-CD2 4.33Å; F269-P271 HydrophobicContact CD1-CG 4.17Å; F269-P271 HydrophobicContact CE1-CB 4.12Å; F269-P271 HydrophobicContact CE1-CG 3.64Å; F269-P271 HydrophobicContact CZ-CB 3.96Å; F269-P271 HydrophobicContact CZ-CG 3.97Å; F269-F291 HydrophobicContact CD2-CE1 4.44Å; F269-F291 HydrophobicContact CD2-CZ 4.3Å; F269-F291 HydrophobicContact CE2-CE1 4.25Å; F269-F291 AromaticContact CE2-CZ 3.82Å; F269-F291 HydrophobicContact CE2-CZ 3.82Å
270V98.7Very high98.5Very high2 Ų211.1 Ų11.11%0.0127%0.073CC..EExtended strand (participates in β ladder)trans-115.9105178-174.80000108S197 A198 W209 L211 V268S197-V270 CarbonylContact C-O 3.54Å; S197-V270 WeakPolarHBondContact CA-O 3.48Å; S197-V270 WeakPolarHBondContact CB-O 3.1Å; A198-V270 HydrophobicContact CB-CB 4.4Å; A198-V270 PolarHBondContact N-O 3.34Å; A198-V270 PolarHBondContact O-N 2.78Å; W209-V270 HydrophobicContact CH2-CG2 4.38Å; W209-V270 HydrophobicContact CZ3-CG2 3.88Å; L211-V270 HydrophobicContact CD2-CG1 4.42Å; L211-V270 HydrophobicContact CD2-CG2 4.46Å; V268-V270 HydrophobicContact CG1-CG2 3.91Å
271P98.2Very high98.5Very high1 Ų111.5 Ų11.51%0.0068%0.075CC..  trans-67.6144.6177.8-9.722000111.4Y70 P72 F269 G273 W274Y70-P271 VanDerWaalsContact C-CG 3.46Å; Y70-P271 HydrophobicContact CD1-CB 3.77Å; Y70-P271 HydrophobicContact CG-CB 4.17Å; Y70-P271 WeakPolarHBondContact O-CG 3.12Å; P72-P271 HydrophobicContact CB-CG 4.44Å; P72-P271 HydrophobicContact CG-CG 4.03Å; F269-P271 HydrophobicContact CD1-CG 4.17Å; F269-P271 HydrophobicContact CE1-CB 4.12Å; F269-P271 HydrophobicContact CE1-CG 3.64Å; F269-P271 HydrophobicContact CZ-CB 3.96Å; F269-P271 HydrophobicContact CZ-CG 3.97Å; P271-G273 PolarHBondContact O-N 3.11Å; P271-W274 PolarHBondContact O-N 2.8Å
272G97Very high98.5Very high7 Ų712.4 Ų12.47%0.0728%0.081CC..THydrogen-bonded Turntrans-55.3131.3179.700000112.5Y70 T196 S197Y70-G272 VanDerWaalsContact CD1-O 3.25Å; Y70-G272 WeakPolarHBondContact CD1-O 3.39Å; Y70-G272 WeakPolarHBondContact CE1-O 3.26Å; T196-G272 VanDerWaalsContact O-CA 3.32Å; T196-G272 WeakPolarHBondContact O-CA 3.41Å; S197-G272 PolarHBondContact OG-N 2.87Å; S197-G272 VanDerWaalsContact OG-N 3.11Å
273G95.8Very high98.4Very high10 Ų1015 Ų1510%0.10310%0.095CC..THydrogen-bonded Turntrans99.5-20.1-179.600000115.2P214 P271 W275 P343P214-G273 WeakPolarHBondContact CA-O 3.41Å; P271-G273 PolarHBondContact O-N 3.11Å; G273-W275 PolarHBondContact O-N 3.1Å; G273-P343 WeakPolarHBondContact O-CG 3.37Å
274W98Very high98.5Very high27 Ų2713.1 Ų13.110%0.1028%0.082CC..  trans-66.5130.8176-8074.7000111.6Y70 P72 L211 P213 L258 P271 H276Y70-W274 PolarHBondContact O-NE1 2.87Å; P72-W274 VanDerWaalsContact CD-CE2 3.49Å; P72-W274 HydrophobicContact CG-CD2 3.59Å; P72-W274 HydrophobicContact CG-CE3 3.78Å; P72-W274 HydrophobicContact CG-CG 4.21Å; P72-W274 HydrophobicContact CG-CH2 3.85Å; P72-W274 HydrophobicContact CG-CZ2 3.67Å; P72-W274 HydrophobicContact CG-CZ3 3.9Å; L211-W274 HydrophobicContact CB-CE3 3.8Å; L211-W274 HydrophobicContact CB-CZ3 4.24Å; P213-W274 HydrophobicContact CB-CH2 4.22Å; P213-W274 HydrophobicContact CB-CZ2 4.37Å; P213-W274 HydrophobicContact CB-CZ3 4.4Å; L258-W274 HydrophobicContact CB-CZ3 4.45Å; P271-W274 PolarHBondContact O-N 2.8Å; W274-H276 PolarHBondContact O-ND1 2.98Å
275W98.3Very high98.5Very high4 Ų410.4 Ų10.42%0.0157%0.065CC..EExtended strand (participates in β ladder)trans-66.3134164.6-68.1104.5000108.4I189 H190 I191 L211 F212 T216 K218 V221 G273 S346I189-W275 HydrophobicContact CD1-CB 4.36Å; I189-W275 HydrophobicContact CG1-CB 4.33Å; I189-W275 HydrophobicContact CG1-CE3 4.29Å; H190-W275 CarbonylContact O-C 3.51Å; H190-W275 WeakPolarHBondContact O-CA 3.29Å; I191-W275 HydrophobicContact CD1-CD2 3.6Å; I191-W275 HydrophobicContact CD1-CE3 3.81Å; I191-W275 HydrophobicContact CD1-CG 4.19Å; I191-W275 HydrophobicContact CD1-CH2 3.84Å; I191-W275 HydrophobicContact CD1-CZ2 3.66Å; I191-W275 HydrophobicContact CD1-CZ3 3.9Å; I191-W275 HydrophobicContact CG1-CD2 3.68Å; I191-W275 HydrophobicContact CG1-CE3 3.61Å; I191-W275 HydrophobicContact CG1-CG 4.09Å; I191-W275 HydrophobicContact CG1-CH2 4.45Å; I191-W275 HydrophobicContact CG1-CZ3 4Å; L211-W275 CarbonylContact C-O 3.56Å; L211-W275 WeakPolarHBondContact CA-O 3.28Å; F212-W275 HydrophobicContact CB-CB 4.02Å; F212-W275 HydrophobicContact CD2-CB 4.22Å; F212-W275 PolarHBondContact N-O 3.45Å; F212-W275 PolarHBondContact O-N 2.8Å; T216-W275 PolarHBondContact O-NE1 2.88Å; T216-W275 VanDerWaalsContact O-NE1 3.1Å; K218-W275 HydrophobicContact CB-CH2 4.2Å; K218-W275 HydrophobicContact CB-CZ2 3.85Å; K218-W275 HydrophobicContact CD-CH2 4.37Å; K218-W275 HydrophobicContact CG-CH2 4.01Å; K218-W275 HydrophobicContact CG-CZ2 4.18Å; V221-W275 HydrophobicContact CG2-CD2 3.9Å; V221-W275 HydrophobicContact CG2-CE3 4.37Å; V221-W275 HydrophobicContact CG2-CG 4.13Å; V221-W275 HydrophobicContact CG2-CZ2 4.44Å; G273-W275 PolarHBondContact O-N 3.1Å; W275-S346 WeakPolarHBondContact CZ3-OG 3.45Å
276H98.8Very high98.5Very high10 Ų109.2 Ų9.25%0.0465%0.053CC..EExtended strand (participates in β ladder)trans-148.8146.7175.362-83.2000112.6I189 H190 D192 C210 L211 W274I189-H276 WeakPolarHBondContact CA-O 3.47Å; H190-H276 AromaticContact CE1-CD2 3.56Å; H190-H276 AromaticContact CE1-CE1 3.89Å; H190-H276 AromaticContact CE1-NE2 3.15Å; H190-H276 PolarHBondContact CE1-NE2 3.1Å; H190-H276 PolarHBondContact N-O 2.95Å; H190-H276 AromaticContact ND1-NE2 3.92Å; H190-H276 PolarHBondContact ND1-O 3.47Å; H190-H276 AromaticContact NE2-CE1 3.87Å; H190-H276 AromaticContact NE2-NE2 3.35Å; H190-H276 PolarHBondContact NE2-NE2 2.9Å; H190-H276 PolarHBondContact O-N 2.89Å; D192-H276 IonicContact OD2-CE1 3.96Å; D192-H276 PolarHBondContact OD2-CE1 3.36Å; D192-H276 IonicContact OD2-NE2 3.71Å; C210-H276 WeakPolarHBondContact O-CA 3.41Å; L211-H276 HydrophobicContact CD2-CB 4.13Å; L211-H276 HydrophobicContact CG-CB 3.91Å; W274-H276 PolarHBondContact O-ND1 2.98Å
277V98.8Very high98.5Very high0 Ų08.7 Ų8.70%05%0.05CC..EExtended strand (participates in β ladder)trans-135.4140.1179.559.20000109.2I189 W209 C210 A235 W238 F239I189-V277 HydrophobicContact CB-CB 3.85Å; I189-V277 HydrophobicContact CB-CG2 4.32Å; I189-V277 HydrophobicContact CD1-CB 4.43Å; I189-V277 HydrophobicContact CD1-CG1 4.36Å; I189-V277 HydrophobicContact CG1-CB 4.14Å; W209-V277 WeakPolarHBondContact CA-O 3.3Å; C210-V277 HydrophobicContact CB-CG1 3.79Å; C210-V277 PolarHBondContact N-O 2.98Å; C210-V277 PolarHBondContact O-N 2.72Å; C210-V277 VanDerWaalsContact O-N 3.08Å; A235-V277 HydrophobicContact CB-CG2 4.34Å; W238-V277 HydrophobicContact CB-CG2 4.04Å; W238-V277 HydrophobicContact CD2-CB 4.31Å; W238-V277 HydrophobicContact CD2-CG1 3.78Å; W238-V277 HydrophobicContact CD2-CG2 4.06Å; W238-V277 HydrophobicContact CE3-CB 4.38Å; W238-V277 HydrophobicContact CE3-CG1 3.52Å; W238-V277 HydrophobicContact CE3-CG2 4.13Å; W238-V277 HydrophobicContact CG-CG2 4Å; W238-V277 HydrophobicContact CH2-CG1 4.04Å; W238-V277 HydrophobicContact CZ2-CG1 4.27Å; W238-V277 HydrophobicContact CZ3-CG1 3.65Å; F239-V277 HydrophobicContact CE2-CG1 4.26Å; F239-V277 HydrophobicContact CE2-CG2 4.13Å; F239-V277 HydrophobicContact CZ-CG1 4.16Å
278V98.9Very high98.5Very high6 Ų69.1 Ų9.14%0.0365%0.052CC..EExtended strand (participates in β ladder)trans-135.3121.9-170.8-165.40000110.8G186 T187 K207 R208 W209 A235G186-V278 CarbonylContact C-O 3.55Å; G186-V278 WeakPolarHBondContact CA-O 3.08Å; T187-V278 PolarHBondContact N-O 3.09Å; T187-V278 PolarHBondContact O-N 3.05Å; K207-V278 HydrophobicContact CB-CG1 4.02Å; K207-V278 HydrophobicContact CD-CG1 4.04Å; K207-V278 HydrophobicContact CG-CG1 4.22Å; R208-V278 WeakPolarHBondContact O-CA 3.41Å; W209-V278 HydrophobicContact CD2-CB 4.47Å; W209-V278 HydrophobicContact CD2-CG1 4.09Å; W209-V278 HydrophobicContact CD2-CG2 3.75Å; W209-V278 HydrophobicContact CE3-CG2 3.44Å; W209-V278 VanDerWaalsContact CE3-CG2 3.44Å; W209-V278 HydrophobicContact CG-CG1 4.48Å; W209-V278 HydrophobicContact CH2-CG1 4.5Å; W209-V278 HydrophobicContact CH2-CG2 3.7Å; W209-V278 HydrophobicContact CZ2-CG1 3.99Å; W209-V278 HydrophobicContact CZ2-CG2 4Å; W209-V278 HydrophobicContact CZ3-CG2 3.41Å; W209-V278 VanDerWaalsContact CZ3-CG2 3.41Å; A235-V278 VanDerWaalsContact CB-O 3.23Å; A235-V278 WeakPolarHBondContact CB-O 3.15Å
279L98.9Very high98.5Very high0 Ų09.7 Ų9.70%06%0.055CC..EExtended strand (participates in β ladder)trans-112.7132.4174.7-174.768.9000110.4F38 L40 R184 K207 R208 A235 I236 F239 L281F38-L279 HydrophobicContact CE1-CD2 3.74Å; F38-L279 HydrophobicContact CZ-CD2 4.22Å; L40-L279 HydrophobicContact CD2-CD2 4.02Å; R184-L279 VanDerWaalsContact O-CD1 3.28Å; R184-L279 WeakPolarHBondContact O-CD1 3.3Å; K207-L279 WeakPolarHBondContact CA-O 3.46Å; R208-L279 HydrophobicContact CB-CB 4.42Å; R208-L279 PolarHBondContact N-O 3.13Å; R208-L279 PolarHBondContact O-N 3.18Å; A235-L279 HydrophobicContact CB-CD1 4.15Å; I236-L279 HydrophobicContact CB-CD1 3.9Å; I236-L279 HydrophobicContact CG1-CD1 4.5Å; F239-L279 HydrophobicContact CD2-CB 3.72Å; F239-L279 HydrophobicContact CD2-CD2 3.92Å; F239-L279 HydrophobicContact CD2-CG 4.35Å; F239-L279 HydrophobicContact CE2-CB 3.55Å; F239-L279 HydrophobicContact CE2-CD2 4.48Å; F239-L279 HydrophobicContact CG-CD2 4.34Å; F239-L279 HydrophobicContact CZ-CB 4.49Å; L279-L281 HydrophobicContact CD2-CD2 4.24Å
280N98.9Very high98.4Very high0 Ų010.2 Ų10.20%06%0.058CC..EExtended strand (participates in β ladder)trans-82.2117.1172.8-59.2-33.8000108.9Y134 P183 R184 S185 K207 T284Y134-N280 WeakPolarHBondContact CE2-ND2 3.13Å; Y134-N280 VanDerWaalsContact CZ-ND2 3.26Å; Y134-N280 PolarHBondContact OH-ND2 3.11Å; Y134-N280 PolarHBondContact OH-OD1 2.94Å; P183-N280 CarbonylContact C-O 3.56Å; P183-N280 WeakPolarHBondContact CA-O 3.35Å; R184-N280 PolarHBondContact N-O 2.75Å; S185-N280 VanDerWaalsContact O-CB 3.22Å; S185-N280 WeakPolarHBondContact O-CB 3.22Å; S185-N280 VanDerWaalsContact O-CG 3.28Å; S185-N280 PolarHBondContact O-N 3.3Å; S185-N280 PolarHBondContact O-ND2 3.11Å; S185-N280 PolarHBondContact OG-ND2 3.27Å; K207-N280 PolarHBondContact NZ-OD1 3.06Å; N280-T284 HydrophobicContact CB-CG2 3.86Å; N280-T284 PolarHBondContact ND2-OG1 3.17Å; N280-T284 PolarHBondContact OD1-OG1 2.94Å
281L98.8Very high98.4Very high8 Ų810.3 Ų10.34%0.0426%0.058CC..SBendtrans-82.8-27.9179-58.1-178.9000111.7L40 L42 V45 Y206 R208 L261 L279L40-L281 HydrophobicContact CB-CD2 4.49Å; L40-L281 HydrophobicContact CD2-CD2 3.93Å; L42-L281 HydrophobicContact CD2-CB 4.06Å; L42-L281 HydrophobicContact CD2-CD1 3.59Å; V45-L281 HydrophobicContact CG2-CD1 4.11Å; Y206-L281 PolarHBondContact O-N 2.65Å; R208-L281 HydrophobicContact CB-CD1 4.13Å; R208-L281 HydrophobicContact CB-CD2 3.97Å; R208-L281 HydrophobicContact CB-CG 4.11Å; L261-L281 HydrophobicContact CD1-CD1 3.82Å; L279-L281 HydrophobicContact CD2-CD2 4.24Å
282T98.7Very high98.4Very high48 Ų4810.3 Ų10.329%0.2946%0.058SC..SBendtrans-134.4-175.3178.760.70000110.8G205 Y206 T284G205-T282 WeakPolarHBondContact CA-OG1 3.36Å; Y206-T282 HydrophobicContact CD2-CG2 4.07Å; Y206-T282 PolarHBondContact N-OG1 3.09Å; T282-T284 PolarHBondContact O-N 3.11Å
283D98.7Very high98.5Very high53 Ų5310 Ų1028%0.2836%0.055SC..SBendtrans-60.3107.4166.6-84.6-13.1000109.9L90 M124 P182 G205L90-D283 WeakPolarHBondContact CD1-OD2 3.16Å; M124-D283 HydrophobicContact CE-CB 3.9Å; M124-D283 VanDerWaalsContact CE-CG 3.43Å; M124-D283 WeakPolarHBondContact CE-OD1 3.36Å; P182-D283 WeakPolarHBondContact CA-OD1 3.16Å; G205-D283 WeakPolarHBondContact CA-O 3.11Å
284T98.9Very high98.6Very high0 Ų011.5 Ų11.50%06%0.064CC..EExtended strand (participates in β ladder)trans-101.6144.6-17859.50000112.7M180 G181 L202 K204 Y206 K207 N280 T282M180-T284 WeakPolarHBondContact CA-O 3.33Å; G181-T284 PolarHBondContact N-O 3.33Å; G181-T284 VanDerWaalsContact N-O 3.14Å; G181-T284 PolarHBondContact O-N 2.66Å; G181-T284 PolarHBondContact O-OG1 3.46Å; L202-T284 HydrophobicContact CD1-CG2 4.24Å; K204-T284 VanDerWaalsContact O-CA 3.26Å; K204-T284 WeakPolarHBondContact O-CA 3.16Å; Y206-T284 WeakPolarHBondContact O-CG2 3.1Å; K207-T284 HydrophobicContact CG-CG2 3.9Å; N280-T284 HydrophobicContact CB-CG2 3.86Å; N280-T284 PolarHBondContact ND2-OG1 3.17Å; N280-T284 PolarHBondContact OD1-OG1 2.94Å; T282-T284 PolarHBondContact O-N 3.11Å
285I98.9Very high98.5Very high4 Ų411.5 Ų11.52%0.0217%0.07CC..EExtended strand (participates in β ladder)trans-135.9124166.6-50.7164.9000108W88 L90 L93 F178 M180 V203 K204W88-I285 HydrophobicContact CB-CD1 4.47Å; W88-I285 HydrophobicContact CB-CG2 4.17Å; W88-I285 HydrophobicContact CD2-CG2 4.23Å; W88-I285 HydrophobicContact CE3-CG2 3.67Å; W88-I285 HydrophobicContact CG-CG2 4.48Å; W88-I285 HydrophobicContact CZ3-CG2 4.44Å; W88-I285 VanDerWaalsContact O-CD1 3.27Å; W88-I285 WeakPolarHBondContact O-CD1 2.99Å; L90-I285 HydrophobicContact CD2-CD1 4.34Å; L93-I285 HydrophobicContact CD1-CD1 3.74Å; L93-I285 HydrophobicContact CD1-CG2 4.37Å; F178-I285 HydrophobicContact CE2-CG2 3.69Å; F178-I285 HydrophobicContact CZ-CG2 3.74Å; M180-I285 HydrophobicContact CG-CG1 4.1Å; M180-I285 HydrophobicContact SD-CG1 4.33Å; V203-I285 PolarHBondContact N-O 2.83Å; K204-I285 HydrophobicContact CB-CB 4.21Å; K204-I285 HydrophobicContact CB-CD1 4.28Å; K204-I285 HydrophobicContact CB-CG1 4.33Å; K204-I285 HydrophobicContact CG-CD1 4.13Å; K204-I285 PolarHBondContact N-O 3.04Å; K204-I285 VanDerWaalsContact N-O 3.08Å; K204-I285 PolarHBondContact O-N 3.48Å
286A98.9Very high98.4Very high0 Ų011.3 Ų11.30%07%0.069CC..EExtended strand (participates in β ladder)trans-145.6164.7-17400000111.9V179 A201 L202V179-A286 PolarHBondContact N-O 2.84Å; V179-A286 PolarHBondContact O-N 3.15Å; V179-A286 VanDerWaalsContact O-O 3.13Å; A201-A286 VanDerWaalsContact O-CA 3.23Å; A201-A286 WeakPolarHBondContact O-CA 3.49Å; A201-A286 WeakPolarHBondContact O-CB 3.29Å; L202-A286 HydrophobicContact CD1-CB 4.04Å
287V98.8Very high98.3Very high0 Ų010.9 Ų10.90%07%0.067CC..EExtended strand (participates in β ladder)trans-130135.8164.955.80000109.1W82 W88 Y153 W177 W199 A201W82-V287 HydrophobicContact CH2-CG1 3.73Å; W82-V287 HydrophobicContact CZ3-CG1 3.6Å; W88-V287 HydrophobicContact CH2-CB 3.9Å; W88-V287 HydrophobicContact CH2-CG1 3.87Å; W88-V287 HydrophobicContact CZ3-CB 4.1Å; W88-V287 HydrophobicContact CZ3-CG1 4.01Å; Y153-V287 HydrophobicContact CD1-CG1 4.41Å; Y153-V287 HydrophobicContact CD2-CG1 4.25Å; Y153-V287 HydrophobicContact CE1-CG2 4.1Å; Y153-V287 HydrophobicContact CE2-CG2 4.15Å; Y153-V287 HydrophobicContact CG-CG1 4.21Å; W177-V287 WeakPolarHBondContact O-CA 3.45Å; W199-V287 HydrophobicContact CZ3-CG1 4.22Å; W199-V287 WeakPolarHBondContact CZ3-O 3.32Å; A201-V287 HydrophobicContact CB-CG1 4.22Å; A201-V287 PolarHBondContact N-O 3.3Å; A201-V287 PolarHBondContact O-N 3Å
288T98.8Very high98.1Very high11 Ų1112.3 Ų12.37%0.0678%0.076CC..EExtended strand (participates in β ladder)trans-133.3143.1-177.2-167.70000109.4R176 W177 V179 W199 N200R176-T288 WeakPolarHBondContact CA-O 3.44Å; W177-T288 HydrophobicContact CB-CG2 4.02Å; W177-T288 HydrophobicContact CE3-CG2 4.18Å; W177-T288 PolarHBondContact N-O 2.72Å; W177-T288 PolarHBondContact O-N 3.03Å; W177-T288 VanDerWaalsContact O-N 3.11Å; V179-T288 HydrophobicContact CG2-CG2 3.88Å; W199-T288 CarbonylContact O-C 3.6Å; W199-T288 WeakPolarHBondContact O-CA 3.28Å; W199-T288 PolarHBondContact O-OG1 2.84Å; N200-T288 WeakPolarHBondContact ND2-CB 3.41Å; N200-T288 PolarHBondContact ND2-OG1 2.7Å
289Q98.6Very high97.9Very high12 Ų1213.3 Ų13.36%0.0568%0.081CC..EExtended strand (participates in β ladder)trans-138.4142.6175.4-51-168.528.100111.8Y153 I155 Y175 R176 A198 W199Y153-Q289 PolarHBondContact OH-NE2 3.37Å; Y153-Q289 VanDerWaalsContact OH-NE2 3.15Å; I155-Q289 VanDerWaalsContact CD1-NE2 3.28Å; Y175-Q289 CarbonylContact O-C 3.54Å; Y175-Q289 WeakPolarHBondContact O-CA 3.45Å; Y175-Q289 VanDerWaalsContact O-CB 3.25Å; Y175-Q289 WeakPolarHBondContact O-CB 3.28Å; R176-Q289 HydrophobicContact CB-CB 4.38Å; R176-Q289 HydrophobicContact CB-CG 3.56Å; A198-Q289 CarbonylContact C-O 3.49Å; A198-Q289 VanDerWaalsContact CA-O 3.25Å; A198-Q289 WeakPolarHBondContact CA-O 3.3Å; W199-Q289 HydrophobicContact CD2-CB 4.41Å; W199-Q289 HydrophobicContact CH2-CB 4.39Å; W199-Q289 HydrophobicContact CH2-CG 3.71Å; W199-Q289 HydrophobicContact CZ2-CB 3.68Å; W199-Q289 HydrophobicContact CZ2-CG 3.35Å; W199-Q289 HydrophobicContact CZ3-CG 4.48Å; W199-Q289 PolarHBondContact N-O 3.02Å; W199-Q289 PolarHBondContact O-N 2.96Å
290N98.5Very high97.8Very high11 Ų1113.3 Ų13.36%0.0598%0.081CC..EExtended strand (participates in β ladder)trans-95.4136.4171-70.544.4000108.5Y175 W177 D192 T196 S197Y175-N290 PolarHBondContact O-N 3.46Å; W177-N290 HydrophobicContact CH2-CB 4.41Å; W177-N290 HydrophobicContact CZ3-CB 4.15Å; W177-N290 WeakPolarHBondContact CZ3-OD1 3.26Å; D192-N290 PolarHBondContact OD1-ND2 3.11Å; T196-N290 PolarHBondContact OG1-ND2 3.26Å; S197-N290 CarbonylContact O-C 3.6Å; S197-N290 WeakPolarHBondContact O-CA 3.37Å
291F98.5Very high97.7Very high5 Ų514 Ų142%0.0228%0.084CC..EExtended strand (participates in β ladder)trans-137.4154.7-174.868.9-77.6000111.7E67 F159 T196 S197 W199 F269 N296E67-F291 VanDerWaalsContact OE1-CE2 3.3Å; E67-F291 WeakPolarHBondContact OE1-CE2 3.47Å; F159-F291 HydrophobicContact CD1-CD1 4.49Å; F159-F291 AromaticContact CD1-CE1 3.71Å; F159-F291 HydrophobicContact CD1-CE1 3.71Å; F159-F291 HydrophobicContact CD1-CE2 4.01Å; F159-F291 AromaticContact CD1-CZ 3.42Å; F159-F291 HydrophobicContact CD1-CZ 3.42Å; F159-F291 VanDerWaalsContact CD1-CZ 3.42Å; F159-F291 HydrophobicContact CE1-CE1 4.17Å; F159-F291 AromaticContact CE1-CZ 3.91Å; F159-F291 HydrophobicContact CE1-CZ 3.91Å; F159-F291 HydrophobicContact CG-CE1 4.38Å; F159-F291 HydrophobicContact CG-CZ 4.39Å; T196-F291 WeakPolarHBondContact CB-O 3.09Å; S197-F291 PolarHBondContact N-O 2.78Å; S197-F291 WeakPolarHBondContact O-CD1 3.08Å; S197-F291 PolarHBondContact O-N 2.72Å; W199-F291 AromaticContact CD1-CD1 3.78Å; W199-F291 AromaticContact CD1-CE1 3.95Å; F269-F291 HydrophobicContact CD2-CE1 4.44Å; F269-F291 HydrophobicContact CD2-CZ 4.3Å; F269-F291 HydrophobicContact CE2-CE1 4.25Å; F269-F291 AromaticContact CE2-CZ 3.82Å; F269-F291 HydrophobicContact CE2-CZ 3.82Å; F291-N296 PolarHBondContact O-ND2 3.08Å; F291-N296 VanDerWaalsContact O-ND2 3.16Å
292C98.2Very high97.5Very high0 Ų014.1 Ų14.10%08%0.084CC..  trans-115120.4169.3-179.50000108.1L163 F164 N296 V300L163-C292 HydrophobicContact CB-CB 4.19Å; L163-C292 WeakPolarHBondContact CB-O 3.49Å; L163-C292 VanDerWaalsContact CG-O 3.29Å; L163-C292 WeakPolarHBondContact CG-O 3.34Å; L163-C292 PolarHBondContact N-O 3.26Å; F164-C292 HydrophobicContact CD2-CB 4.42Å; F164-C292 HydrophobicContact CG-CB 4.43Å; C292-N296 VanDerWaalsContact CA-OD1 3.24Å; C292-N296 WeakPolarHBondContact CA-OD1 3.4Å; C292-N296 PolarHBondContact SG-OD1 3.25Å; C292-N296 VanDerWaalsContact SG-OD1 3.37Å; C292-V300 HydrophobicContact CB-CB 4.46Å; C292-V300 HydrophobicContact CB-CG1 4.01Å; C292-V300 HydrophobicContact CB-CG2 4.37Å
293S97.9Very high97.3Very high2 Ų213.2 Ų13.21%0.0148%0.076CC..  trans-114171.9176.5630000109.7E67 E161 L163 A295 N296 F297E67-S293 WeakPolarHBondContact OE1-CB 3.25Å; E67-S293 PolarHBondContact OE1-OG 2.92Å; E161-S293 WeakPolarHBondContact OE2-CA 3.47Å; L163-S293 VanDerWaalsContact CD1-C 3.48Å; S293-A295 PolarHBondContact O-N 2.88Å; S293-A295 PolarHBondContact OG-N 2.64Å; S293-N296 PolarHBondContact N-OD1 3.25Å; S293-N296 PolarHBondContact O-N 3.47Å; S293-N296 PolarHBondContact O-OD1 3.38Å; S293-F297 WeakPolarHBondContact O-CA 3.48Å; S293-F297 VanDerWaalsContact O-CB 3.26Å; S293-F297 WeakPolarHBondContact O-CB 3.15Å; S293-F297 PolarHBondContact O-N 2.87Å
294S97.3Very high97.2Very high41 Ų4110.7 Ų10.729%0.2876%0.062SC..THydrogen-bonded Turntrans-59.2-30.2175.5-570000111.7E161 R323E161-S294 VanDerWaalsContact CD-OG 3.25Å; E161-S294 PolarHBondContact OE1-OG 3.34Å; E161-S294 VanDerWaalsContact OE1-OG 3.06Å; E161-S294 WeakPolarHBondContact OE2-CB 3.4Å; E161-S294 PolarHBondContact OE2-N 3.13Å; E161-S294 PolarHBondContact OE2-OG 3.29Å; S294-R323 PolarHBondContact OG-NH2 3.15Å
295A96.1Very high97Very high27 Ų2711.2 Ų11.222%0.2237%0.067CC..THydrogen-bonded Turntrans-71.4-38.2178.200000113.4E67 Y70 S293E67-A295 HydrophobicContact CB-CB 4.49Å; E67-A295 HydrophobicContact CG-CB 3.81Å; Y70-A295 PolarHBondContact OH-O 2.76Å; S293-A295 PolarHBondContact O-N 2.88Å; S293-A295 PolarHBondContact OG-N 2.64Å
296N96.4Very high96.8Very high0 Ų016.5 Ų16.50%09%0.086CC..THydrogen-bonded Turntrans-99-5.8177.974.319.6000114.7Y70 S197 F291 C292 S293 P298 I299 V300Y70-N296 VanDerWaalsContact OH-CA 3.32Å; Y70-N296 WeakPolarHBondContact OH-CA 3.49Å; S197-N296 WeakPolarHBondContact CB-ND2 3.32Å; S197-N296 PolarHBondContact N-ND2 2.75Å; S197-N296 VanDerWaalsContact N-ND2 3.12Å; S197-N296 PolarHBondContact OG-ND2 2.89Å; F291-N296 PolarHBondContact O-ND2 3.08Å; F291-N296 VanDerWaalsContact O-ND2 3.16Å; C292-N296 VanDerWaalsContact CA-OD1 3.24Å; C292-N296 WeakPolarHBondContact CA-OD1 3.4Å; C292-N296 PolarHBondContact SG-OD1 3.25Å; C292-N296 VanDerWaalsContact SG-OD1 3.37Å; S293-N296 PolarHBondContact N-OD1 3.25Å; S293-N296 PolarHBondContact O-N 3.47Å; S293-N296 PolarHBondContact O-OD1 3.38Å; N296-P298 VanDerWaalsContact C-CD 3.44Å; N296-I299 PolarHBondContact O-N 3.14Å; N296-V300 HydrophobicContact CB-CG2 4.28Å; N296-V300 WeakPolarHBondContact O-CG2 3.39Å; N296-V300 PolarHBondContact O-N 2.79Å; N296-V300 WeakPolarHBondContact OD1-CG2 3.26Å
297F97Very high96.6Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-49.4-44.6-176.1179.7-101000114.9L163 S293 I299 V300 W301 W315 L319 L326 I329 T330L163-F297 HydrophobicContact CD1-CB 4.11Å; L163-F297 HydrophobicContact CD1-CD2 3.79Å; L163-F297 HydrophobicContact CD1-CG 4.25Å; S293-F297 WeakPolarHBondContact O-CA 3.48Å; S293-F297 VanDerWaalsContact O-CB 3.26Å; S293-F297 WeakPolarHBondContact O-CB 3.15Å; S293-F297 PolarHBondContact O-N 2.87Å; F297-I299 PolarHBondContact O-N 2.86Å; F297-V300 PolarHBondContact O-N 2.54Å; F297-W301 HydrophobicContact CE1-CB 4.22Å; F297-W301 HydrophobicContact CE2-CB 4.24Å; F297-W301 HydrophobicContact CZ-CB 3.98Å; F297-W301 HydrophobicContact CZ-CE3 4.44Å; F297-W301 HydrophobicContact CZ-CG 4.31Å; F297-W301 VanDerWaalsContact O-CB 3.24Å; F297-W301 WeakPolarHBondContact O-CB 3.24Å; F297-W301 PolarHBondContact O-N 3.1Å; F297-W315 AromaticContact CD2-CH2 3.91Å; F297-W315 HydrophobicContact CD2-CH2 3.91Å; F297-W315 HydrophobicContact CD2-CZ2 4.04Å; F297-W315 AromaticContact CE2-CH2 3.65Å; F297-W315 HydrophobicContact CE2-CH2 3.65Å; F297-W315 AromaticContact CE2-CZ2 3.74Å; F297-W315 HydrophobicContact CE2-CZ2 3.74Å; F297-W315 HydrophobicContact CE2-CZ3 4.26Å; F297-L319 HydrophobicContact CE2-CD1 3.65Å; F297-L319 HydrophobicContact CE2-CD2 4.28Å; F297-L319 HydrophobicContact CZ-CD1 3.68Å; F297-L326 HydrophobicContact CB-CD2 4.49Å; F297-L326 HydrophobicContact CD1-CB 4.03Å; F297-L326 HydrophobicContact CD1-CD2 4.13Å; F297-L326 HydrophobicContact CD1-CG 4.47Å; F297-L326 HydrophobicContact CD2-CD1 4.36Å; F297-L326 HydrophobicContact CE1-CB 3.9Å; F297-L326 VanDerWaalsContact CE1-O 3.26Å; F297-L326 WeakPolarHBondContact CE1-O 3.35Å; F297-L326 HydrophobicContact CG-CB 4.47Å; F297-L326 HydrophobicContact CG-CD1 4.24Å; F297-L326 HydrophobicContact CG-CD2 4.35Å; F297-L326 HydrophobicContact CZ-CB 4.22Å; F297-I329 HydrophobicContact CD1-CD1 4.47Å; F297-I329 HydrophobicContact CE1-CB 4.38Å; F297-T330 HydrophobicContact CE1-CG2 3.65Å; F297-T330 HydrophobicContact CZ-CG2 3.48Å; F297-T330 VanDerWaalsContact CZ-CG2 3.48Å
298P94.9Very high96.4Very high30 Ų3025 Ų2520%0.19512%0.122CC..Hα-helixtrans-59.6-45.2-178.6-24.535000113.1N296 H302 I329 I333 F339N296-P298 VanDerWaalsContact C-CD 3.44Å; P298-H302 WeakPolarHBondContact O-CB 3.48Å; P298-H302 PolarHBondContact O-N 3.02Å; P298-H302 VanDerWaalsContact O-N 3.1Å; P298-I329 HydrophobicContact CG-CG2 4.31Å; P298-I333 HydrophobicContact CB-CD1 4.06Å; P298-F339 HydrophobicContact CB-CE1 4.48Å; P298-F339 HydrophobicContact CB-CE2 4.14Å; P298-F339 HydrophobicContact CB-CZ 3.6Å
299I94.4Very high96.2Very high28 Ų2828.3 Ų28.314%0.14414%0.143CC..Hα-helixtrans-70.5-42178.9-62.6176.5000110.4Y70 N296 F297 H302 K303 F339 A342Y70-I299 HydrophobicContact CE1-CD1 4.49Å; N296-I299 PolarHBondContact O-N 3.14Å; F297-I299 PolarHBondContact O-N 2.86Å; I299-H302 PolarHBondContact O-N 2.89Å; I299-K303 HydrophobicContact CG2-CD 4.11Å; I299-K303 VanDerWaalsContact CG2-CE 3.49Å; I299-K303 PolarHBondContact O-N 3.22Å; I299-F339 HydrophobicContact CD1-CD1 4.38Å; I299-F339 HydrophobicContact CG1-CD1 3.7Å; I299-F339 HydrophobicContact CG1-CE1 3.73Å; I299-F339 HydrophobicContact CG1-CG 4.22Å; I299-F339 HydrophobicContact CG1-CZ 4.28Å; I299-A342 HydrophobicContact CD1-CB 4.43Å; I299-A342 HydrophobicContact CG2-CB 4.07Å
300V96.4Very high96.1Very high0 Ų036.8 Ų36.80%018%0.18CC..Hα-helixtrans-65.7-42.6179.1178.50000111.4F164 L194 G195 T196 C292 N296 F297 T304 W315F164-V300 HydrophobicContact CE1-CG1 3.8Å; F164-V300 HydrophobicContact CE2-CG1 4.18Å; F164-V300 HydrophobicContact CZ-CG1 3.45Å; F164-V300 VanDerWaalsContact CZ-CG1 3.45Å; L194-V300 WeakPolarHBondContact O-CA 3.39Å; G195-V300 WeakPolarHBondContact O-CG2 3.32Å; T196-V300 HydrophobicContact CG2-CG1 4.43Å; T196-V300 HydrophobicContact CG2-CG2 4.34Å; C292-V300 HydrophobicContact CB-CB 4.46Å; C292-V300 HydrophobicContact CB-CG1 4.01Å; C292-V300 HydrophobicContact CB-CG2 4.37Å; N296-V300 HydrophobicContact CB-CG2 4.28Å; N296-V300 WeakPolarHBondContact O-CG2 3.39Å; N296-V300 PolarHBondContact O-N 2.79Å; N296-V300 WeakPolarHBondContact OD1-CG2 3.26Å; F297-V300 PolarHBondContact O-N 2.54Å; V300-T304 WeakPolarHBondContact O-CB 3.39Å; V300-T304 PolarHBondContact O-N 2.88Å; V300-T304 PolarHBondContact O-OG1 2.99Å; V300-W315 HydrophobicContact CG1-CH2 3.91Å; V300-W315 HydrophobicContact CG1-CZ3 4.32Å
301W96.6Very high96Very high15 Ų1536.8 Ų36.86%0.05718%0.18CC..Hα-helixtrans-58.4-53.9174.5173-106.6000110.9F297 K303 T304 A305 A312 W315 L316 T330 I333F297-W301 HydrophobicContact CE1-CB 4.22Å; F297-W301 HydrophobicContact CE2-CB 4.24Å; F297-W301 HydrophobicContact CZ-CB 3.98Å; F297-W301 HydrophobicContact CZ-CE3 4.44Å; F297-W301 HydrophobicContact CZ-CG 4.31Å; F297-W301 VanDerWaalsContact O-CB 3.24Å; F297-W301 WeakPolarHBondContact O-CB 3.24Å; F297-W301 PolarHBondContact O-N 3.1Å; W301-K303 PolarHBondContact O-N 2.79Å; W301-T304 PolarHBondContact O-N 3.04Å; W301-T304 VanDerWaalsContact O-N 3.16Å; W301-A305 HydrophobicContact CZ2-CB 4.16Å; W301-A305 WeakPolarHBondContact O-CB 3.21Å; W301-A305 PolarHBondContact O-N 3.33Å; W301-A312 HydrophobicContact CH2-CB 4Å; W301-A312 HydrophobicContact CZ3-CB 3.94Å; W301-W315 AromaticContact CE3-CE3 3.8Å; W301-W315 HydrophobicContact CE3-CE3 3.8Å; W301-W315 AromaticContact CE3-CZ3 3.91Å; W301-W315 HydrophobicContact CE3-CZ3 3.91Å; W301-W315 HydrophobicContact CZ3-CE3 4.05Å; W301-L316 HydrophobicContact CH2-CB 3.71Å; W301-L316 HydrophobicContact CH2-CD2 4.02Å; W301-L316 HydrophobicContact CH2-CG 4.32Å; W301-L316 HydrophobicContact CZ2-CD2 4.27Å; W301-L316 HydrophobicContact CZ3-CB 4.01Å; W301-T330 HydrophobicContact CD2-CG2 3.53Å; W301-T330 HydrophobicContact CE3-CG2 4Å; W301-T330 HydrophobicContact CG-CG2 3.76Å; W301-T330 HydrophobicContact CZ2-CG2 4.19Å; W301-I333 HydrophobicContact CG-CD1 4.46Å
302H95.3Very high95.9Very high9 Ų936.7 Ų36.74%0.04218%0.18CC..Hα-helixtrans-54.1-53-179.9-179.9-87.8000112.4P298 I299 T304 R306 I333 N334 E337 F339P298-H302 WeakPolarHBondContact O-CB 3.48Å; P298-H302 PolarHBondContact O-N 3.02Å; P298-H302 VanDerWaalsContact O-N 3.1Å; I299-H302 PolarHBondContact O-N 2.89Å; H302-T304 VanDerWaalsContact C-N 3.35Å; H302-T304 PolarHBondContact O-N 3.08Å; H302-R306 PolarHBondContact CE1-NH1 2.91Å; H302-R306 VanDerWaalsContact CE1-NH1 3.35Å; H302-R306 WeakPolarHBondContact O-CG 3.38Å; H302-R306 PolarHBondContact O-N 3.01Å; H302-I333 HydrophobicContact CB-CG2 4.07Å; H302-N334 PolarHBondContact CD2-O 3.09Å; H302-N334 PolarHBondContact NE2-O 3.15Å; H302-E337 PolarHBondContact CE1-O 2.99Å; H302-E337 PolarHBondContact NE2-O 3.4Å; H302-F339 HydrophobicContact CB-CD2 3.81Å; H302-F339 HydrophobicContact CB-CE2 4.27Å; H302-F339 AromaticContact CD2-CD2 3.9Å; H302-F339 AromaticContact CG-CD2 3.83Å
303K94.6Very high95.8Very high29 Ų2944.8 Ų44.813%0.12622%0.215CC..Hα-helixtrans-67.5-33.5179.7-66.6-178.9-164.3-80.20111.9I299 W301 K307 A342 P343I299-K303 HydrophobicContact CG2-CD 4.11Å; I299-K303 VanDerWaalsContact CG2-CE 3.49Å; I299-K303 PolarHBondContact O-N 3.22Å; W301-K303 PolarHBondContact O-N 2.79Å; K303-K307 VanDerWaalsContact O-CB 3.3Å; K303-K307 WeakPolarHBondContact O-CB 3.35Å; K303-K307 WeakPolarHBondContact O-CG 3.12Å; K303-K307 PolarHBondContact O-N 3.13Å; K303-K307 VanDerWaalsContact O-N 3.09Å; K303-A342 PolarHBondContact NZ-O 3.35Å; K303-P343 PolarHBondContact NZ-O 2.98Å
304T96.2Very high95.7Very high0 Ų050.7 Ų50.70%024%0.237CC..Hα-helixtrans-75.3-41.6179.5-610000112.9F164 V300 W301 H302 R306 K307 R308 F311 A312 W315F164-T304 HydrophobicContact CE1-CG2 4.13Å; V300-T304 WeakPolarHBondContact O-CB 3.39Å; V300-T304 PolarHBondContact O-N 2.88Å; V300-T304 PolarHBondContact O-OG1 2.99Å; W301-T304 PolarHBondContact O-N 3.04Å; W301-T304 VanDerWaalsContact O-N 3.16Å; H302-T304 VanDerWaalsContact C-N 3.35Å; H302-T304 PolarHBondContact O-N 3.08Å; T304-R306 PolarHBondContact O-N 3.44Å; T304-K307 PolarHBondContact O-N 2.96Å; T304-R308 CarbonylContact O-C 3.57Å; T304-R308 WeakPolarHBondContact O-CA 3.27Å; T304-R308 PolarHBondContact O-N 2.9Å; T304-F311 HydrophobicContact CG2-CD1 3.76Å; T304-F311 HydrophobicContact CG2-CE1 4.16Å; T304-A312 HydrophobicContact CG2-CB 4.38Å; T304-W315 HydrophobicContact CG2-CE3 4.2Å; T304-W315 HydrophobicContact CG2-CZ3 4.2Å
305A95.5Very high95.7Very high11 Ų1148.8 Ų48.89%0.09122%0.223CC..Hα-helixtrans-59.9-45.9176.500000111.1W301 P309 A312 L335W301-A305 HydrophobicContact CZ2-CB 4.16Å; W301-A305 WeakPolarHBondContact O-CB 3.21Å; W301-A305 PolarHBondContact O-N 3.33Å; A305-P309 WeakPolarHBondContact O-CA 3.01Å; A305-A312 HydrophobicContact CB-CB 4.19Å; A305-L335 HydrophobicContact CB-CD1 3.88Å; A305-L335 HydrophobicContact CB-CD2 3.73Å; A305-L335 HydrophobicContact CB-CG 4.5Å
306R94.1Very high95.7Very high115 Ų11548.9 Ų48.943%0.43422%0.22SC..Hα-helixtrans-65.1-46175.8-67.6173.769.2155.7-4.7112.9H302 T304 L335 E337H302-R306 PolarHBondContact CE1-NH1 2.91Å; H302-R306 VanDerWaalsContact CE1-NH1 3.35Å; H302-R306 WeakPolarHBondContact O-CG 3.38Å; H302-R306 PolarHBondContact O-N 3.01Å; T304-R306 PolarHBondContact O-N 3.44Å; R306-L335 WeakPolarHBondContact CD-O 3.36Å; R306-L335 PolarHBondContact NH1-O 3.06Å; R306-E337 PolarHBondContact NH1-O 3.46Å
307K94.2Very high95.7Very high125 Ų12552.7 Ų52.754%0.54325%0.247SC..Hα-helixtrans-89.6-26-171.7-68-172.6170.2-162.70115.5L194 K303 T304 S345L194-K307 HydrophobicContact CD2-CB 4Å; L194-K307 HydrophobicContact CD2-CD 4Å; K303-K307 VanDerWaalsContact O-CB 3.3Å; K303-K307 WeakPolarHBondContact O-CB 3.35Å; K303-K307 WeakPolarHBondContact O-CG 3.12Å; K303-K307 PolarHBondContact O-N 3.13Å; K303-K307 VanDerWaalsContact O-N 3.09Å; T304-K307 PolarHBondContact O-N 2.96Å; K307-S345 PolarHBondContact NZ-OG 2.98Å
308R95.4Very high95.7Very high55 Ų5553.6 Ų53.621%0.20826%0.255CS..  trans-139.157.9-176.2-55.5-167.482.8-154.73.7111.4T304 K310 F311 A312 S356T304-R308 CarbonylContact O-C 3.57Å; T304-R308 WeakPolarHBondContact O-CA 3.27Å; T304-R308 PolarHBondContact O-N 2.9Å; R308-K310 VanDerWaalsContact C-N 3.28Å; R308-K310 PolarHBondContact O-N 3.27Å; R308-K310 VanDerWaalsContact O-N 3.12Å; R308-F311 HydrophobicContact CB-CB 4.16Å; R308-F311 WeakPolarHBondContact O-CA 3.16Å; R308-F311 WeakPolarHBondContact O-CB 3.42Å; R308-F311 PolarHBondContact O-N 2.92Å; R308-A312 PolarHBondContact O-N 2.8Å; R308-S356 PolarHBondContact NH2-OG 3.17Å
309P95.2Very high95.8Very high79 Ų7952.2 Ų52.251%0.51325%0.245SC..Hα-helixtrans-56.1-36.1-171.320.4-33.6000114.2A305 F311 A312 K313A305-P309 WeakPolarHBondContact O-CA 3.01Å; P309-F311 VanDerWaalsContact C-N 3.32Å; P309-F311 PolarHBondContact O-N 3.28Å; P309-A312 PolarHBondContact O-N 3.18Å; P309-K313 PolarHBondContact O-N 2.93Å
310K95.7Very high96Very high190 Ų19057.5 Ų57.583%0.82626%0.263SS*.Hα-helixtrans-63.5-34.1175.9-66.8-172.8178.7-176.90113.4R308R308-K310 VanDerWaalsContact C-N 3.28Å; R308-K310 PolarHBondContact O-N 3.27Å; R308-K310 VanDerWaalsContact O-N 3.12Å
311F96.4Very high96Very high11 Ų1162.9 Ų62.95%0.04830%0.296CS..Hα-helixtrans-77.5-46.1174174.4-97.5000110.2F164 T171 R172 T304 R308 P309 K313 R314 W315F164-F311 AromaticContact CD1-CE1 3.62Å; F164-F311 HydrophobicContact CD1-CE1 3.62Å; F164-F311 AromaticContact CD1-CZ 3.9Å; F164-F311 HydrophobicContact CD1-CZ 3.9Å; F164-F311 AromaticContact CE1-CE1 3.76Å; F164-F311 HydrophobicContact CE1-CE1 3.76Å; F164-F311 HydrophobicContact CE1-CZ 4.47Å; T171-F311 WeakPolarHBondContact O-CD2 3.49Å; R172-F311 VanDerWaalsContact CA-CE2 3.46Å; R172-F311 HydrophobicContact CB-CE2 4.09Å; R172-F311 HydrophobicContact CB-CZ 4.22Å; T304-F311 HydrophobicContact CG2-CD1 3.76Å; T304-F311 HydrophobicContact CG2-CE1 4.16Å; R308-F311 HydrophobicContact CB-CB 4.16Å; R308-F311 WeakPolarHBondContact O-CA 3.16Å; R308-F311 WeakPolarHBondContact O-CB 3.42Å; R308-F311 PolarHBondContact O-N 2.92Å; P309-F311 VanDerWaalsContact C-N 3.32Å; P309-F311 PolarHBondContact O-N 3.28Å; F311-K313 VanDerWaalsContact C-N 3.35Å; F311-K313 PolarHBondContact O-N 3.32Å; F311-R314 PolarHBondContact O-N 2.86Å; F311-R314 VanDerWaalsContact O-N 3.08Å; F311-W315 HydrophobicContact CE1-CB 4.17Å; F311-W315 HydrophobicContact CE1-CD2 4.18Å; F311-W315 HydrophobicContact CE1-CE3 4.18Å; F311-W315 HydrophobicContact CE1-CG 4.21Å; F311-W315 HydrophobicContact CZ-CB 4.43Å; F311-W315 HydrophobicContact CZ-CG 4.42Å; F311-W315 WeakPolarHBondContact O-CB 3.1Å; F311-W315 PolarHBondContact O-N 3.45Å
312A96.3Very high96Very high3 Ų366.7 Ų66.73%0.02532%0.318CS..Hα-helixtrans-56-43.9178.900000113W301 T304 A305 R308 P309 R314 W315 L316W301-A312 HydrophobicContact CH2-CB 4Å; W301-A312 HydrophobicContact CZ3-CB 3.94Å; T304-A312 HydrophobicContact CG2-CB 4.38Å; A305-A312 HydrophobicContact CB-CB 4.19Å; R308-A312 PolarHBondContact O-N 2.8Å; P309-A312 PolarHBondContact O-N 3.18Å; A312-R314 VanDerWaalsContact C-N 3.32Å; A312-R314 PolarHBondContact O-N 3.12Å; A312-W315 PolarHBondContact O-N 2.97Å; A312-L316 WeakPolarHBondContact O-CB 3.26Å; A312-L316 PolarHBondContact O-N 2.76Å
313K95.7Very high96.1Very high170 Ų17069 Ų6974%0.73933%0.326SS*.Hα-helixtrans-57.3-42.2175.4-177.9173.2-179173.50112.7P309 F311 S317P309-K313 PolarHBondContact O-N 2.93Å; F311-K313 VanDerWaalsContact C-N 3.35Å; F311-K313 PolarHBondContact O-N 3.32Å; K313-S317 PolarHBondContact O-N 3.1Å
314R95.8Very high96.2Very high127 Ų12771 Ų7148%0.47934%0.342SS..Hα-helixtrans-72.1-40.7177.7-75.6179.452.8-148.2-20.1111.9G167 T171 F311 A312 S317 A318G167-R314 PolarHBondContact O-NH2 3.33Å; G167-R314 VanDerWaalsContact O-NH2 3.13Å; T171-R314 VanDerWaalsContact CG2-NH1 3.29Å; T171-R314 PolarHBondContact OG1-NH1 2.85Å; T171-R314 PolarHBondContact OG1-NH2 3.27Å; F311-R314 PolarHBondContact O-N 2.86Å; F311-R314 VanDerWaalsContact O-N 3.08Å; A312-R314 VanDerWaalsContact C-N 3.32Å; A312-R314 PolarHBondContact O-N 3.12Å; R314-S317 WeakPolarHBondContact O-CB 3.22Å; R314-S317 PolarHBondContact O-N 2.83Å; R314-A318 PolarHBondContact O-N 3.21Å; R314-A318 VanDerWaalsContact O-N 3.15Å
315W97.3Very high96.3Very high0 Ų074.6 Ų74.60%036%0.362CS..Hα-helixtrans-63-43.3177.9-171.730.9000111.7L163 F164 F297 V300 W301 T304 F311 A312 S317 A318 L319L163-W315 HydrophobicContact CB-CZ2 3.91Å; L163-W315 PolarHBondContact O-NE1 3.03Å; F164-W315 HydrophobicContact CD1-CD2 4.22Å; F164-W315 AromaticContact CD1-CE2 3.94Å; F164-W315 HydrophobicContact CD1-CE3 4.26Å; F164-W315 AromaticContact CD1-CH2 3.8Å; F164-W315 HydrophobicContact CD1-CH2 3.8Å; F164-W315 AromaticContact CD1-CZ2 3.73Å; F164-W315 HydrophobicContact CD1-CZ2 3.73Å; F164-W315 HydrophobicContact CD1-CZ3 4.06Å; F164-W315 HydrophobicContact CE1-CD2 4.48Å; F164-W315 HydrophobicContact CE1-CE3 4.05Å; F164-W315 AromaticContact CE1-CH2 3.61Å; F164-W315 HydrophobicContact CE1-CH2 3.61Å; F164-W315 HydrophobicContact CE1-CZ2 4.05Å; F164-W315 AromaticContact CE1-CZ3 3.61Å; F164-W315 HydrophobicContact CE1-CZ3 3.61Å; F297-W315 AromaticContact CD2-CH2 3.91Å; F297-W315 HydrophobicContact CD2-CH2 3.91Å; F297-W315 HydrophobicContact CD2-CZ2 4.04Å; F297-W315 AromaticContact CE2-CH2 3.65Å; F297-W315 HydrophobicContact CE2-CH2 3.65Å; F297-W315 AromaticContact CE2-CZ2 3.74Å; F297-W315 HydrophobicContact CE2-CZ2 3.74Å; F297-W315 HydrophobicContact CE2-CZ3 4.26Å; V300-W315 HydrophobicContact CG1-CH2 3.91Å; V300-W315 HydrophobicContact CG1-CZ3 4.32Å; W301-W315 AromaticContact CE3-CE3 3.8Å; W301-W315 HydrophobicContact CE3-CE3 3.8Å; W301-W315 AromaticContact CE3-CZ3 3.91Å; W301-W315 HydrophobicContact CE3-CZ3 3.91Å; W301-W315 HydrophobicContact CZ3-CE3 4.05Å; T304-W315 HydrophobicContact CG2-CE3 4.2Å; T304-W315 HydrophobicContact CG2-CZ3 4.2Å; F311-W315 HydrophobicContact CE1-CB 4.17Å; F311-W315 HydrophobicContact CE1-CD2 4.18Å; F311-W315 HydrophobicContact CE1-CE3 4.18Å; F311-W315 HydrophobicContact CE1-CG 4.21Å; F311-W315 HydrophobicContact CZ-CB 4.43Å; F311-W315 HydrophobicContact CZ-CG 4.42Å; F311-W315 WeakPolarHBondContact O-CB 3.1Å; F311-W315 PolarHBondContact O-N 3.45Å; A312-W315 PolarHBondContact O-N 2.97Å; W315-S317 VanDerWaalsContact C-N 3.35Å; W315-S317 PolarHBondContact O-N 2.9Å; W315-A318 PolarHBondContact O-N 3.14Å; W315-A318 VanDerWaalsContact O-N 3.12Å; W315-L319 HydrophobicContact CD2-CD1 4Å; W315-L319 HydrophobicContact CG-CD1 4.08Å; W315-L319 HydrophobicContact CZ2-CD1 4.49Å; W315-L319 VanDerWaalsContact O-CG 3.31Å; W315-L319 WeakPolarHBondContact O-CG 3.3Å; W315-L319 PolarHBondContact O-N 2.87Å
316L97Very high96.3Very high29 Ų2974.3 Ų74.315%0.15236%0.358CS..Hα-helixtrans-60-42.1173.8179.255.9000112.6W301 A312 A318 L319 R320 A327 T330W301-L316 HydrophobicContact CH2-CB 3.71Å; W301-L316 HydrophobicContact CH2-CD2 4.02Å; W301-L316 HydrophobicContact CH2-CG 4.32Å; W301-L316 HydrophobicContact CZ2-CD2 4.27Å; W301-L316 HydrophobicContact CZ3-CB 4.01Å; A312-L316 WeakPolarHBondContact O-CB 3.26Å; A312-L316 PolarHBondContact O-N 2.76Å; L316-A318 VanDerWaalsContact C-N 3.27Å; L316-A318 PolarHBondContact O-N 3.34Å; L316-L319 PolarHBondContact O-N 3.13Å; L316-R320 HydrophobicContact CD1-CG 4.16Å; L316-R320 WeakPolarHBondContact O-CG 3.41Å; L316-R320 PolarHBondContact O-N 2.88Å; L316-A327 HydrophobicContact CD1-CB 4.43Å; L316-T330 HydrophobicContact CD1-CG2 4.13Å; L316-T330 WeakPolarHBondContact CD1-OG1 3.49Å
317S96.8Very high96.5Very high80 Ų8069 Ų6956%0.55934%0.339SS*.Hα-helixtrans-59.7-38.7175.1-1680000112.1K313 R314 W315 T321K313-S317 PolarHBondContact O-N 3.1Å; R314-S317 WeakPolarHBondContact O-CB 3.22Å; R314-S317 PolarHBondContact O-N 2.83Å; W315-S317 VanDerWaalsContact C-N 3.35Å; W315-S317 PolarHBondContact O-N 2.9Å; S317-T321 PolarHBondContact O-OG1 2.98Å
318A96.7Very high96.5Very high20 Ų2070 Ų7017%0.16534%0.344CS..Hα-helixtrans-74.5-37.1175.800000112.5L166 R314 W315 L316 T321 N322L166-A318 HydrophobicContact CB-CB 4.07Å; L166-A318 WeakPolarHBondContact O-CB 3.1Å; R314-A318 PolarHBondContact O-N 3.21Å; R314-A318 VanDerWaalsContact O-N 3.15Å; W315-A318 PolarHBondContact O-N 3.14Å; W315-A318 VanDerWaalsContact O-N 3.12Å; L316-A318 VanDerWaalsContact C-N 3.27Å; L316-A318 PolarHBondContact O-N 3.34Å; A318-T321 PolarHBondContact O-N 2.97Å; A318-N322 WeakPolarHBondContact O-CB 3.07Å; A318-N322 PolarHBondContact O-N 3.05Å; A318-N322 PolarHBondContact O-ND2 2.85Å
319L97.2Very high96.5Very high0 Ų070.3 Ų70.30%035%0.349CS..Hα-helixtrans-62.7-44.8175.4-72.6162.5000111.1L166 F297 W315 L316 T321 N322 R323 L326 A327L166-L319 HydrophobicContact CD1-CD2 3.85Å; F297-L319 HydrophobicContact CE2-CD1 3.65Å; F297-L319 HydrophobicContact CE2-CD2 4.28Å; F297-L319 HydrophobicContact CZ-CD1 3.68Å; W315-L319 HydrophobicContact CD2-CD1 4Å; W315-L319 HydrophobicContact CG-CD1 4.08Å; W315-L319 HydrophobicContact CZ2-CD1 4.49Å; W315-L319 VanDerWaalsContact O-CG 3.31Å; W315-L319 WeakPolarHBondContact O-CG 3.3Å; W315-L319 PolarHBondContact O-N 2.87Å; L316-L319 PolarHBondContact O-N 3.13Å; L319-T321 PolarHBondContact O-N 3.26Å; L319-T321 VanDerWaalsContact O-N 3.11Å; L319-N322 PolarHBondContact O-N 3.25Å; L319-R323 HydrophobicContact CD2-CB 4.11Å; L319-R323 CarbonylContact O-C 3.41Å; L319-R323 WeakPolarHBondContact O-CA 3.47Å; L319-R323 PolarHBondContact O-N 3.03Å; L319-R323 VanDerWaalsContact O-O 3.08Å; L319-L326 HydrophobicContact CD2-CB 4.41Å; L319-A327 HydrophobicContact CB-CB 4.25Å
320R97.2Very high96.4Very high139 Ų13967 Ų6753%0.52533%0.328SS..Hα-helixtrans-56.7-28.5176.4-75.8178.7175.6178.7-1.9113.4L316 A327 D331L316-R320 HydrophobicContact CD1-CG 4.16Å; L316-R320 WeakPolarHBondContact O-CG 3.41Å; L316-R320 PolarHBondContact O-N 2.88Å; R320-A327 HydrophobicContact CB-CB 4.39Å; R320-A327 HydrophobicContact CG-CB 3.67Å; R320-D331 IonicContact CZ-OD1 2.75Å; R320-D331 IonicContact NH2-OD1 3.85Å; R320-D331 PolarHBondContact NH2-OD1 3.22Å
321T97.3Very high96.2Very high113 Ų11362.6 Ų62.669%0.69331%0.313SS*.Hα-helixtrans-86.9-42.8174.3-53.20000113.6S317 A318 L319S317-T321 PolarHBondContact O-OG1 2.98Å; A318-T321 PolarHBondContact O-N 2.97Å; L319-T321 PolarHBondContact O-N 3.26Å; L319-T321 VanDerWaalsContact O-N 3.11Å
322N97.3Very high95.8Very high96 Ų9668.9 Ų68.951%0.51335%0.347SS..Hα-helixtrans-103.1-24.9-167-63.8-91.6000114.3L166 A318 L319L166-N322 HydrophobicContact CD1-CB 4.29Å; L166-N322 HydrophobicContact CD2-CB 4.04Å; A318-N322 WeakPolarHBondContact O-CB 3.07Å; A318-N322 PolarHBondContact O-N 3.05Å; A318-N322 PolarHBondContact O-ND2 2.85Å; L319-N322 PolarHBondContact O-N 3.25Å
323R97.1Very high95.5Very high56 Ų5670 Ų7021%0.21135%0.352CS..  trans-145.467.2-178.4-72.5-59.8-63-81.4-2.5110.5E161 L163 L166 S294 L319 D325 L326 A327E161-R323 IonicContact OE1-CZ 2.79Å; E161-R323 IonicContact OE1-NH1 3.43Å; E161-R323 PolarHBondContact OE1-NH1 3.03Å; E161-R323 IonicContact OE1-NH2 3.93Å; L163-R323 HydrophobicContact CD2-CG 4.43Å; L166-R323 HydrophobicContact CD1-CG 4.42Å; S294-R323 PolarHBondContact OG-NH2 3.15Å; L319-R323 HydrophobicContact CD2-CB 4.11Å; L319-R323 CarbonylContact O-C 3.41Å; L319-R323 WeakPolarHBondContact O-CA 3.47Å; L319-R323 PolarHBondContact O-N 3.03Å; L319-R323 VanDerWaalsContact O-O 3.08Å; R323-D325 VanDerWaalsContact CA-OD1 3.24Å; R323-D325 WeakPolarHBondContact CA-OD1 2.98Å; R323-D325 WeakPolarHBondContact CB-OD1 3.44Å; R323-D325 IonicContact CZ-OD1 3.24Å; R323-D325 IonicContact CZ-OD2 3.02Å; R323-D325 VanDerWaalsContact CZ-OD2 3.31Å; R323-D325 IonicContact NE-OD1 3.34Å; R323-D325 PolarHBondContact NE-OD1 3.1Å; R323-D325 IonicContact NE-OD2 2.83Å; R323-D325 PolarHBondContact NE-OD2 3.15Å; R323-D325 VanDerWaalsContact NE-OD2 3.12Å; R323-D325 IonicContact NH2-OD1 2.78Å; R323-D325 IonicContact NH2-OD2 3.87Å; R323-D325 PolarHBondContact NH2-OD2 3.23Å; R323-D325 PolarHBondContact O-N 2.88Å; R323-L326 HydrophobicContact CB-CB 4.22Å; R323-L326 HydrophobicContact CB-CD1 4.2Å; R323-L326 HydrophobicContact CB-CG 4.25Å; R323-L326 HydrophobicContact CG-CD1 4.42Å; R323-L326 PolarHBondContact O-N 2.84Å; R323-L326 VanDerWaalsContact O-N 3.12Å; R323-A327 PolarHBondContact O-N 3.5Å
324P97Very high95.1Very high71 Ų7165.4 Ų65.446%0.46134%0.336SS..Hα-helixtrans-63.7-23-178.427.2-35.5000112.8K328P324-K328 WeakPolarHBondContact O-CG 3.21Å; P324-K328 PolarHBondContact O-N 3.44Å; P324-K328 VanDerWaalsContact O-N 3.16Å
325D96.8Very high94.7Very high76 Ų7662.7 Ų62.741%0.40633%0.33SS..Hα-helixtrans-59.1-51.2169.360.7-52.7000111.8R323R323-D325 VanDerWaalsContact CA-OD1 3.24Å; R323-D325 WeakPolarHBondContact CA-OD1 2.98Å; R323-D325 WeakPolarHBondContact CB-OD1 3.44Å; R323-D325 IonicContact CZ-OD1 3.24Å; R323-D325 IonicContact CZ-OD2 3.02Å; R323-D325 VanDerWaalsContact CZ-OD2 3.31Å; R323-D325 IonicContact NE-OD1 3.34Å; R323-D325 PolarHBondContact NE-OD1 3.1Å; R323-D325 IonicContact NE-OD2 2.83Å; R323-D325 PolarHBondContact NE-OD2 3.15Å; R323-D325 VanDerWaalsContact NE-OD2 3.12Å; R323-D325 IonicContact NH2-OD1 2.78Å; R323-D325 IonicContact NH2-OD2 3.87Å; R323-D325 PolarHBondContact NH2-OD2 3.23Å; R323-D325 PolarHBondContact O-N 2.88Å
326L96.9Very high94.1Very high5 Ų567 Ų673%0.02636%0.36CS..Hα-helixtrans-72.6-34176.9-61-176.5000112L163 F297 L319 R323 K328 I329 T330L163-L326 HydrophobicContact CD1-CD1 3.41Å; L163-L326 VanDerWaalsContact CD1-CD1 3.41Å; L163-L326 HydrophobicContact CD2-CD1 3.72Å; L163-L326 HydrophobicContact CG-CD1 4.22Å; F297-L326 HydrophobicContact CB-CD2 4.49Å; F297-L326 HydrophobicContact CD1-CB 4.03Å; F297-L326 HydrophobicContact CD1-CD2 4.13Å; F297-L326 HydrophobicContact CD1-CG 4.47Å; F297-L326 HydrophobicContact CD2-CD1 4.36Å; F297-L326 HydrophobicContact CE1-CB 3.9Å; F297-L326 VanDerWaalsContact CE1-O 3.26Å; F297-L326 WeakPolarHBondContact CE1-O 3.35Å; F297-L326 HydrophobicContact CG-CB 4.47Å; F297-L326 HydrophobicContact CG-CD1 4.24Å; F297-L326 HydrophobicContact CG-CD2 4.35Å; F297-L326 HydrophobicContact CZ-CB 4.22Å; L319-L326 HydrophobicContact CD2-CB 4.41Å; R323-L326 HydrophobicContact CB-CB 4.22Å; R323-L326 HydrophobicContact CB-CD1 4.2Å; R323-L326 HydrophobicContact CB-CG 4.25Å; R323-L326 HydrophobicContact CG-CD1 4.42Å; R323-L326 PolarHBondContact O-N 2.84Å; R323-L326 VanDerWaalsContact O-N 3.12Å; L326-K328 VanDerWaalsContact C-N 3.3Å; L326-K328 PolarHBondContact O-N 2.9Å; L326-I329 HydrophobicContact CD2-CD1 3.88Å; L326-I329 WeakPolarHBondContact O-CB 3.26Å; L326-I329 PolarHBondContact O-N 2.8Å; L326-I329 VanDerWaalsContact O-N 3.11Å; L326-T330 PolarHBondContact O-N 2.82Å
327A96.8Very high93.3Very high4 Ų471.3 Ų71.33%0.03338%0.38CS..Hα-helixtrans-58.5-42.2176.900000112L316 L319 R320 R323 I329 T330L316-A327 HydrophobicContact CD1-CB 4.43Å; L319-A327 HydrophobicContact CB-CB 4.25Å; R320-A327 HydrophobicContact CB-CB 4.39Å; R320-A327 HydrophobicContact CG-CB 3.67Å; R323-A327 PolarHBondContact O-N 3.5Å; A327-I329 VanDerWaalsContact C-N 3.26Å; A327-I329 PolarHBondContact O-N 3.07Å; A327-T330 WeakPolarHBondContact O-CB 3.46Å; A327-T330 PolarHBondContact O-N 3.23Å; A327-T330 PolarHBondContact O-OG1 3.17Å
328K95.8Very high92.3Very high145 Ų14574.9 Ų74.963%0.6339%0.388SS*.Hα-helixtrans-59.3-34175.5-73.3170.4-179.6-175.70113.2P324 L326 T330 D331P324-K328 WeakPolarHBondContact O-CG 3.21Å; P324-K328 PolarHBondContact O-N 3.44Å; P324-K328 VanDerWaalsContact O-N 3.16Å; L326-K328 VanDerWaalsContact C-N 3.3Å; L326-K328 PolarHBondContact O-N 2.9Å; K328-T330 PolarHBondContact O-N 3.33Å; K328-D331 PolarHBondContact O-N 2.75Å
329I93.8Very high91Very high63 Ų6376.9 Ų76.932%0.32339%0.392SS..Hα-helixtrans-62.1-36.7175.5-53.9176.7000110.1F297 P298 L326 A327 D331 N332 I333F297-I329 HydrophobicContact CD1-CD1 4.47Å; F297-I329 HydrophobicContact CE1-CB 4.38Å; P298-I329 HydrophobicContact CG-CG2 4.31Å; L326-I329 HydrophobicContact CD2-CD1 3.88Å; L326-I329 WeakPolarHBondContact O-CB 3.26Å; L326-I329 PolarHBondContact O-N 2.8Å; L326-I329 VanDerWaalsContact O-N 3.11Å; A327-I329 VanDerWaalsContact C-N 3.26Å; A327-I329 PolarHBondContact O-N 3.07Å; I329-D331 VanDerWaalsContact C-N 3.3Å; I329-D331 PolarHBondContact O-N 3.01Å; I329-N332 PolarHBondContact O-N 3.06Å; I329-I333 HydrophobicContact CG2-CD1 3.85Å; I329-I333 HydrophobicContact CG2-CG1 4.39Å; I329-I333 WeakPolarHBondContact O-CG1 3.45Å; I329-I333 PolarHBondContact O-N 2.86Å
330T94.2Very high89.3Confident10 Ų1081.7 Ų81.76%0.06142%0.424CS..Hα-helixtrans-65.5-31.2-178.973.10000113.9F297 W301 L316 L326 A327 K328 N332 I333F297-T330 HydrophobicContact CE1-CG2 3.65Å; F297-T330 HydrophobicContact CZ-CG2 3.48Å; F297-T330 VanDerWaalsContact CZ-CG2 3.48Å; W301-T330 HydrophobicContact CD2-CG2 3.53Å; W301-T330 HydrophobicContact CE3-CG2 4Å; W301-T330 HydrophobicContact CG-CG2 3.76Å; W301-T330 HydrophobicContact CZ2-CG2 4.19Å; L316-T330 HydrophobicContact CD1-CG2 4.13Å; L316-T330 WeakPolarHBondContact CD1-OG1 3.49Å; L326-T330 PolarHBondContact O-N 2.82Å; A327-T330 WeakPolarHBondContact O-CB 3.46Å; A327-T330 PolarHBondContact O-N 3.23Å; A327-T330 PolarHBondContact O-OG1 3.17Å; K328-T330 PolarHBondContact O-N 3.33Å; T330-N332 PolarHBondContact O-N 3.26Å; T330-I333 PolarHBondContact O-N 3.12Å
331D90.4Very high87.4Confident96 Ų9679.5 Ų79.551%0.51342%0.422SS..Hα-helixtrans-72.2-19.8-179.8-56.7-52.1000111.4R320 K328 I329R320-D331 IonicContact CZ-OD1 2.75Å; R320-D331 IonicContact NH2-OD1 3.85Å; R320-D331 PolarHBondContact NH2-OD1 3.22Å; K328-D331 PolarHBondContact O-N 2.75Å; I329-D331 VanDerWaalsContact C-N 3.3Å; I329-D331 PolarHBondContact O-N 3.01Å
332N89.2Confident85.4Confident144 Ų14475 Ų7577%0.7740%0.397SS*.THydrogen-bonded Turntrans-98.8-6178.7-66.4-27.3000114.4I329 T330I329-N332 PolarHBondContact O-N 3.06Å; T330-N332 PolarHBondContact O-N 3.26Å
333I88.7Confident83.2Confident27 Ų2771.5 Ų71.514%0.13838%0.379CS..  trans-88.6112.5-176.7-73.6168.2000110.4P298 W301 H302 I329 T330 L335 F339P298-I333 HydrophobicContact CB-CD1 4.06Å; W301-I333 HydrophobicContact CG-CD1 4.46Å; H302-I333 HydrophobicContact CB-CG2 4.07Å; I329-I333 HydrophobicContact CG2-CD1 3.85Å; I329-I333 HydrophobicContact CG2-CG1 4.39Å; I329-I333 WeakPolarHBondContact O-CG1 3.45Å; I329-I333 PolarHBondContact O-N 2.86Å; T330-I333 PolarHBondContact O-N 3.12Å; I333-L335 HydrophobicContact CG2-CD2 4.17Å; I333-L335 PolarHBondContact O-N 3.35Å; I333-F339 HydrophobicContact CD1-CE2 4.47Å; I333-F339 HydrophobicContact CG1-CE2 4.49Å; I333-F339 HydrophobicContact CG2-CE2 4.43Å
334N87.8Confident81Confident73 Ų7373.4 Ų73.439%0.3940%0.401SS..  trans-69.7120171-169.5-2.4000111H302 S336 E337H302-N334 PolarHBondContact CD2-O 3.09Å; H302-N334 PolarHBondContact NE2-O 3.15Å; N334-S336 PolarHBondContact ND2-OG 3.19Å; N334-S336 PolarHBondContact OD1-N 3.14Å; N334-S336 PolarHBondContact OD1-OG 3.41Å; N334-E337 HydrophobicContact CB-CB 4.41Å; N334-E337 HydrophobicContact CB-CG 4.43Å; N334-E337 VanDerWaalsContact ND2-CD 3.31Å; N334-E337 PolarHBondContact ND2-OE1 2.54Å
335L87.8Confident78.6Confident69 Ų6971.4 Ų71.436%0.36139%0.389SS..SBendtrans-82.7-17.3-179.5-62.8-180000113.8A305 R306 I333A305-L335 HydrophobicContact CB-CD1 3.88Å; A305-L335 HydrophobicContact CB-CD2 3.73Å; A305-L335 HydrophobicContact CB-CG 4.5Å; R306-L335 WeakPolarHBondContact CD-O 3.36Å; R306-L335 PolarHBondContact NH1-O 3.06Å; I333-L335 HydrophobicContact CG2-CD2 4.17Å; I333-L335 PolarHBondContact O-N 3.35Å
336S83.7Confident75.8Confident91 Ų9168.9 Ų68.964%0.63638%0.377SS*.SBendtrans-77-36.6176.566.10000112N334N334-S336 PolarHBondContact ND2-OG 3.19Å; N334-S336 PolarHBondContact OD1-N 3.14Å; N334-S336 PolarHBondContact OD1-OG 3.41Å
337E82.1Confident72.8Confident120 Ų12073.9 Ų73.956%0.56141%0.413SS*.SBendtrans-68158.2179.3-76.6166-142.300112.9H302 R306 N334H302-E337 PolarHBondContact CE1-O 2.99Å; H302-E337 PolarHBondContact NE2-O 3.4Å; R306-E337 PolarHBondContact NH1-O 3.46Å; N334-E337 HydrophobicContact CB-CB 4.41Å; N334-E337 HydrophobicContact CB-CG 4.43Å; N334-E337 VanDerWaalsContact ND2-CD 3.31Å; N334-E337 PolarHBondContact ND2-OE1 2.54Å
338H74.6Confident69.7Low155 Ų15575.2 Ų75.272%0.71842%0.422SS*.PPolyproline II helixtrans-85.7128.6166.1-83.8-104.9000108.9P340H338-P340 WeakPolarHBondContact O-CD 3.48Å
339F69.8Low66.6Low61 Ų6171.8 Ų71.827%0.26842%0.416SS..PPolyproline II helixtrans-62.4126.8172.8-137.5-80.6000108.8P298 I299 H302 I333 A342P298-F339 HydrophobicContact CB-CE1 4.48Å; P298-F339 HydrophobicContact CB-CE2 4.14Å; P298-F339 HydrophobicContact CB-CZ 3.6Å; I299-F339 HydrophobicContact CD1-CD1 4.38Å; I299-F339 HydrophobicContact CG1-CD1 3.7Å; I299-F339 HydrophobicContact CG1-CE1 3.73Å; I299-F339 HydrophobicContact CG1-CG 4.22Å; I299-F339 HydrophobicContact CG1-CZ 4.28Å; H302-F339 HydrophobicContact CB-CD2 3.81Å; H302-F339 HydrophobicContact CB-CE2 4.27Å; H302-F339 AromaticContact CD2-CD2 3.9Å; H302-F339 AromaticContact CG-CD2 3.83Å; I333-F339 HydrophobicContact CD1-CE2 4.47Å; I333-F339 HydrophobicContact CG1-CE2 4.49Å; I333-F339 HydrophobicContact CG2-CE2 4.43Å; F339-A342 HydrophobicContact CB-CB 3.84Å; F339-A342 PolarHBondContact O-N 3.39Å
340P60.9Low63.5Low101 Ų10171.2 Ų71.266%0.65642%0.417SS*.THydrogen-bonded Turntrans-52141.4175.9-27.135.1000111.1H338 A342H338-P340 WeakPolarHBondContact O-CD 3.48Å; P340-A342 PolarHBondContact O-N 3.42Å
341D58Low60.4Low93 Ų9373 Ų7350%0.49743%0.43SS..THydrogen-bonded Turntrans56.58.5177.3-60.7-43.1000117.7R215 P343R215-D341 IonicContact CZ-OD1 3.16Å; R215-D341 IonicContact CZ-OD2 3.3Å; R215-D341 VanDerWaalsContact NE-CG 3.32Å; R215-D341 IonicContact NE-OD1 2.72Å; R215-D341 PolarHBondContact NE-OD1 2.73Å; R215-D341 IonicContact NE-OD2 2.72Å; R215-D341 VanDerWaalsContact NH2-CG 3.3Å; R215-D341 IonicContact NH2-OD1 3.8Å; R215-D341 PolarHBondContact NH2-OD1 3.38Å; R215-D341 IonicContact NH2-OD2 4Å; R215-D341 PolarHBondContact NH2-OD2 2.89Å; D341-P343 WeakPolarHBondContact O-CD 3.34Å
342A55.4Low57.4Low19 Ų1969.8 Ų69.816%0.15742%0.415CS..  trans-97.791.6-178.200000111.8I299 K303 F339 P340I299-A342 HydrophobicContact CD1-CB 4.43Å; I299-A342 HydrophobicContact CG2-CB 4.07Å; K303-A342 PolarHBondContact NZ-O 3.35Å; F339-A342 HydrophobicContact CB-CB 3.84Å; F339-A342 PolarHBondContact O-N 3.39Å; P340-A342 PolarHBondContact O-N 3.42Å
343P51.2Low54.5Low23 Ų2367 Ų6715%0.14941%0.407CS..  trans-53.1155.2-172.719.7-34.3000114.4I191 P214 G273 K303 D341 S345I191-P343 HydrophobicContact CD1-CB 3.74Å; I191-P343 HydrophobicContact CD1-CG 3.66Å; P214-P343 HydrophobicContact CB-CG 3.85Å; P214-P343 WeakPolarHBondContact O-CB 3.37Å; P214-P343 WeakPolarHBondContact O-CG 3.44Å; G273-P343 WeakPolarHBondContact O-CG 3.37Å; K303-P343 PolarHBondContact NZ-O 2.98Å; D341-P343 WeakPolarHBondContact O-CD 3.34Å; P343-S345 PolarHBondContact O-N 2.74Å; P343-S345 VanDerWaalsContact O-N 3.1Å
344S50Low51.7Low95 Ų9568.5 Ų68.566%0.66442%0.42SS*.  trans-65.5110.9172.559.20000109S346S344-S346 PolarHBondContact O-N 2.66Å
345S46Very low48.9Very low29 Ų2970.1 Ų70.120%0.20344%0.437CS..  trans-57.5110.7-179.461.40000109.8K307 P343 S347K307-S345 PolarHBondContact NZ-OG 2.98Å; P343-S345 PolarHBondContact O-N 2.74Å; P343-S345 VanDerWaalsContact O-N 3.1Å; S345-S347 PolarHBondContact O-N 3.42Å
346S39.5Very low46Very low23 Ų2371.1 Ų71.116%0.16145%0.449CS..  trans-78.2114-177.974.20000110.6K222 W275 S344 S348K222-S346 PolarHBondContact NZ-OG 3.24Å; W275-S346 WeakPolarHBondContact CZ3-OG 3.45Å; S344-S346 PolarHBondContact O-N 2.66Å; S346-S348 PolarHBondContact O-N 3.48Å
347S32.4Very low43.4Very low111 Ų11178 Ų7878%0.77646%0.461SS*.  trans-77.562.1169.954.70000111.2S345 S349S345-S347 PolarHBondContact O-N 3.42Å; S347-S349 PolarHBondContact O-N 3.35Å
348S33.3Very low40.9Very low32 Ų3278.4 Ų78.422%0.22448%0.478CS..  trans-89.985.8174.951.30000110.8K222 S346 C350K222-S348 PolarHBondContact NZ-OG 3.07Å; S346-S348 PolarHBondContact O-N 3.48Å; S348-C350 PolarHBondContact O-N 2.95Å
349S29Very low38.9Very low73 Ų7376.3 Ų76.351%0.5148%0.48SS..  trans35.639.114467.20000119.3N233 S347N233-S349 PolarHBondContact ND2-OG 3.25Å; N233-S349 VanDerWaalsContact ND2-OG 3.11Å; S347-S349 PolarHBondContact O-N 3.35Å
350C29.1Very low37.1Very low51 Ų5178.5 Ų78.535%0.34550%0.503SS..  trans-95.4125.3151.8-68.80000106.4T187 S348 S352T187-C350 HydrophobicContact CG2-CB 4.18Å; S348-C350 PolarHBondContact O-N 2.95Å; C350-S352 VanDerWaalsContact C-N 3.33Å; C350-S352 PolarHBondContact O-N 2.85Å
351S29Very low35.8Very low48 Ų4883.1 Ų83.134%0.33651%0.509SS..SBendtrans-64.977.5-167.6-69.60000113.4K103 E106K103-S351 WeakPolarHBondContact CE-O 3.15Å; K103-S351 PolarHBondContact NZ-O 3.16Å; E106-S351 VanDerWaalsContact CD-C 3.44Å; E106-S351 PolarHBondContact N-OG 2.93Å; E106-S351 VanDerWaalsContact OE2-CA 3.23Å; E106-S351 WeakPolarHBondContact OE2-CA 3.3Å
352S28.9Very low34.4Very low27 Ų2783.2 Ų83.219%0.18952%0.516CS..  trans-156.724168.6-77.10000114.2K103 E106 C350 S354K103-S352 PolarHBondContact NZ-OG 2.99Å; E106-S352 PolarHBondContact OE2-N 2.7Å; C350-S352 VanDerWaalsContact C-N 3.33Å; C350-S352 PolarHBondContact O-N 2.85Å; S352-S354 PolarHBondContact O-N 2.85Å; S352-S354 PolarHBondContact O-OG 3.3Å
353S27.9Very low33.3Very low87 Ų8787.1 Ų87.161%0.60854%0.542SS*.  trans-74.990.9176.5-73.70000110.9S355S353-S355 PolarHBondContact O-N 3.13Å
354S29.5Very low32.3Very low58 Ų5891.3 Ų91.341%0.40657%0.567SS.*  trans-75.386.8-165.1-61.50000113.7P174 S352 S356P174-S354 WeakPolarHBondContact CG-OG 3.43Å; S352-S354 PolarHBondContact O-N 2.85Å; S352-S354 PolarHBondContact O-OG 3.3Å; S354-S356 PolarHBondContact O-N 3.31Å
355S28Very low31.5Very low107 Ų10792.3 Ų92.375%0.74857%0.573SS**  trans-71.891.2165.554.10000110.2S353 R357S353-S355 PolarHBondContact O-N 3.13Å; S355-R357 PolarHBondContact O-N 3.13Å
356S28.2Very low30.8Very low89 Ų8997.7 Ų97.762%0.62261%0.605SS**  trans-65.887.5-179.557.30000112.4R308 S354R308-S356 PolarHBondContact NH2-OG 3.17Å; S354-S356 PolarHBondContact O-N 3.31Å
357R28.5Very low30.6Very low236 Ų236101.6 Ų101.689%0.89163%0.632SS**  trans-101.4127.4156.6-80.1-173.3167.2-172.1-4.3109S355 S359S355-R357 PolarHBondContact O-N 3.13Å; R357-S359 PolarHBondContact O-N 3.41Å
358S28.9Very low30.8Very low129 Ų129102.5 Ų102.590%0.90263%0.633SS**  trans-61.1102.2-174.7-52.90000112.2S360S358-S360 PolarHBondContact O-N 3.46Å
359S32.9Very low30.8Very low111 Ų111108.5 Ų108.578%0.77666%0.663SS**  trans-79.9109.1163.261.90000108.8R357R357-S359 PolarHBondContact O-N 3.41Å
360S31.8Very low31.1Very low107 Ų107113.4 Ų113.475%0.74868%0.678SS**  trans-51.2145.9169.444.70000111.8S358 C362S358-S360 PolarHBondContact O-N 3.46Å; S360-C362 PolarHBondContact O-N 2.89Å
361Y33.7Very low31.3Very low198 Ų198116.4 Ų116.478%0.77670%0.699SS**  trans-55.4110.9171.2-86.6-102.3000109.9S363Y361-S363 PolarHBondContact O-N 3.08Å
362C30.2Very low31.8Very low95 Ų95120.2 Ų120.264%0.64272%0.723SS**  trans-89.389.8168.7-171.90000109.1S360 T364S360-C362 PolarHBondContact O-N 2.89Å; C362-T364 PolarHBondContact O-N 2.78Å; C362-T364 VanDerWaalsContact O-N 3.11Å
363S31.2Very low32.2Very low101 Ų101128.2 Ų128.271%0.70676%0.757SS**  trans-82.437.6-177.7-57.50000113.5Y361Y361-S363 PolarHBondContact O-N 3.08Å
364T31.2Very low32.5Very low111 Ų111133.7 Ų133.768%0.68177%0.77SS**  trans-144.369.2-176.829.20000111.2C362C362-T364 PolarHBondContact O-N 2.78Å; C362-T364 VanDerWaalsContact O-N 3.11Å
365C32.3Very low32.9Very low116 Ų116140.2 Ų140.278%0.78480%0.796SS**  trans-122.228.2171-710000112.4
366T30.8Very low33.5Very low141 Ų141142.9 Ų142.987%0.86580%0.797SS**  trans-95.884168.344.30000109.5
367S36.2Very low33.8Very low105 Ų105146.3 Ų146.373%0.73480%0.803SS**  trans-122.3111.8167.762.80000109.1
368T35.6Very low34.2Very low131 Ų131139.7 Ų139.780%0.80479%0.793SS**  trans-43.7141.9173.632.60000113.4
369N33.3Very low34.5Very low157 Ų157140.5 Ų140.584%0.8479%0.787SS**  trans-83.7114.3155-65.5-62.7000106.7
370Q35.4Very low34.7Very low177 Ų177140.6 Ų140.683%0.82778%0.783SS**  trans-122.5135.2150.4-77.8-177.5-12.400107.5
371S34.7Very low35.1Very low114 Ų114146.6 Ų146.680%0.79779%0.789SS**PPolyproline II helixtrans-80.5146.2175.6-59.20000109E373S371-E373 PolarHBondContact O-N 3.46Å
372P37.9Very low35.3Very low128 Ų128142.6 Ų142.683%0.83179%0.79SS**PPolyproline II helixtrans-80.1119.4175.931.1-31.6000110.6
373E38.2Very low35.7Very low194 Ų194141.1 Ų141.191%0.90779%0.791SS**PPolyproline II helixtrans-82.7157.1157.7-72.9-17114100110.5S371S371-E373 PolarHBondContact O-N 3.46Å
374K34.6Very low36.2Very low202 Ų202143.8 Ų143.888%0.87880%0.797SS**PPolyproline II helixtrans-88.5139.5-175.6-57.5169.8178.2176.20110.1
375M37.9Very low36.6Very low195 Ų195146 Ų14696%0.96180%0.799SS**  trans-155.5159.6143.1-123.4176167.300112.9
376H39.1Very low37Very low164 Ų164145.2 Ų145.276%0.75980%0.795SS**  trans-90.3143.1-163.4-94.7-100.3000114.7
377Q35.8Very low37.4Very low160 Ų160144.5 Ų144.575%0.74879%0.79SS**  trans32.3122.1137.3-74.1167.2-37.400122
378S36.3Very low37.3Very low97 Ų97143.8 Ų143.868%0.67879%0.785SS**  104.512412073.30000120.4
379N35.1Very low37.3Very low147 Ų147148.9 Ų148.979%0.78679%0.79SS**  trans62.9141.6146.6-57.8-15.2000117.8
380T38.4Very low37.3Very low112 Ų112146.5 Ų146.569%0.68779%0.785SS**  cis-162.315924.7-190000110.6
381R38.6Very low37.6Very low233 Ų233143.1 Ų143.188%0.87978%0.779SS**  trans34.8149.5144.3-75.4168.8-179.7-173.9-0.9121.1
382S39.4Very low37.9Very low115 Ų115143.9 Ų143.980%0.80478%0.779SS**  cis177158.7-3.146.80000110.2
383G38.5Very low38.2Very low64 Ų64142.9 Ų142.966%0.6677%0.772SS**  trans118.9114.316700000114.6
384L40.1Very low38.3Very low157 Ų157142.9 Ų142.982%0.82277%0.769SS**  65.112884.9-63.8167.7000112.4
385H41.2Very low38.4Very low156 Ų156144.6 Ų144.672%0.72277%0.77SS**  cis-146.1154.413.5-98.2-67.4000109.5
386S40.2Very low38.8Very low100 Ų100145 Ų14570%0.69977%0.766SS**  56.4143.8101.3114.50000116.1
387V38.9Very low39.3Very low126 Ų126152.5 Ų152.576%0.76479%0.788SS**  cis-147175.28.8131.30000111.5
388S34.8Very low39.5Very low90 Ų90152.2 Ų152.263%0.62979%0.79SS**  trans-44.2159172.672.50000118.1
389R34.9Very low39.7Very low239 Ų239155.1 Ų155.190%0.90280%0.796SS**  -174.7154.664.1-125.1169.1-163.5-149.53.2112.8
390S33.6Very low39.9Very low107 Ų107155.5 Ų155.575%0.74880%0.796SS**  trans-102.7-177.1177.5-40.40000111.3
391P41.7Very low40Very low106 Ų106158.1 Ų158.169%0.68880%0.803SS**  -140.2174.1-57.736.5-18.4000115.3
392T40.5Very low40.1Very low130 Ų130153.4 Ų153.480%0.79880%0.798SS**  trans71.5158.8148.6350000120.6
393P43.8Very low40.1Very low106 Ų106155.9 Ų155.969%0.68880%0.798SS**  -140.8-171.2-127.247.5-29.7000117.5
394K39.9Very low40.3Very low194 Ų194162.5 Ų162.584%0.84381%0.807SS**  trans61.7115.8156.1-70.4-176.4177.4-175.80118.9
395R36.9Very low40.3Very low239 Ų239162.9 Ų162.990%0.90281%0.806SS**  -178.9154.8105.8-111.8177.1150.3179.8-7.6114
396K46.3Very low40.2Very low203 Ų203163.5 Ų163.588%0.88381%0.813SS**  trans69.9129.6179.7-51.3177.4-178.5-179.90112.7
397R51Low40.2Very low322 Ų322169.3 Ų169.3100%1.21582%0.824SS**  cis-102.10-2.9-89.4176.1167.2168.4-4.9111.9

Retrieved 397 of 397 residues in 518.9 ms (Link to these results)

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