A0A087WVE6_HUMAN Loading...

5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase

AlphaFold DB , UniProt , Accession A0A087WVE6, Species HUMAN (Homo sapiens, Human), Gene DCP1A, Length 191 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low72.1Confident174 Ų174109.6 Ų109.686%0.85758%0.576SS**  0110.70-156.9177.3-71.200105.9A3 D109M1-A3 PolarHBondContact O-N 3.06Å; M1-D109 HydrophobicContact CE-CB 3.96Å; M1-D109 WeakPolarHBondContact CE-OD2 3.45Å
2E44.3Very low73.9Confident195 Ų195103.2 Ų103.291%0.91155%0.547SS*.PPolyproline II helixtrans-59.2121.1-176.7-84.1173.2135.200109.2L4E2-L4 PolarHBondContact O-N 3.44Å; E2-L4 VanDerWaalsContact O-N 3.09Å
3A53.5Low75.6Confident96 Ų9698.1 Ų98.179%0.79352%0.52SS*.PPolyproline II helixtrans-55.2118.7161.800000106.4M1 S5M1-A3 PolarHBondContact O-N 3.06Å; A3-S5 PolarHBondContact O-N 2.88Å; A3-S5 VanDerWaalsContact O-N 3.11Å
4L59.4Low77.1Confident83 Ų8394.7 Ų94.744%0.43551%0.513SS..PPolyproline II helixtrans-48.1126.7170.3-82.2165.6000107.2E2 Q9 L29E2-L4 PolarHBondContact O-N 3.44Å; E2-L4 VanDerWaalsContact O-N 3.09Å; L4-Q9 HydrophobicContact CB-CG 4.15Å; L4-L29 HydrophobicContact CD1-CD1 3.49Å; L4-L29 VanDerWaalsContact CD1-CD1 3.49Å; L4-L29 HydrophobicContact CD1-CD2 3.68Å; L4-L29 HydrophobicContact CD1-CG 4.27Å
5S76.2Confident78.3Confident76 Ų7691.6 Ų91.653%0.53151%0.505SS..PPolyproline II helixtrans-53.6148177.470.50000108.6A3 A7 G8 Q9A3-S5 PolarHBondContact O-N 2.88Å; A3-S5 VanDerWaalsContact O-N 3.11Å; S5-A7 PolarHBondContact O-N 2.82Å; S5-G8 WeakPolarHBondContact O-CA 3.15Å; S5-G8 PolarHBondContact O-N 3.15Å; S5-G8 PolarHBondContact OG-N 3.21Å; S5-Q9 PolarHBondContact O-N 3.35Å
6R78.6Confident79.4Confident192 Ų19287.1 Ų87.173%0.72548%0.48SS*.Hα-helixtrans-48.8-37.8178.2-170.1-178.470.2-124.61.3111.9G8 Q9 E10R6-G8 PolarHBondContact O-N 3.21Å; R6-Q9 PolarHBondContact O-N 3.05Å; R6-E10 IonicContact NE-OE1 2.67Å; R6-E10 WeakPolarHBondContact O-CG 3.44Å; R6-E10 PolarHBondContact O-N 3.47Å
7A82.7Confident80.4Confident49 Ų4986.9 Ų86.941%0.40547%0.473SS..Hα-helixtrans-61.2-40.5173.600000113.4S5 E10 M11S5-A7 PolarHBondContact O-N 2.82Å; A7-E10 PolarHBondContact O-N 2.71Å; A7-M11 WeakPolarHBondContact O-CE 3.39Å; A7-M11 WeakPolarHBondContact O-CG 3.41Å; A7-M11 PolarHBondContact O-N 2.9Å
8G85.4Confident81.3Confident10 Ų1091.1 Ų91.110%0.10349%0.489CS..Hα-helixtrans-59.9-45174.800000112.5S5 R6 M11 S12S5-G8 WeakPolarHBondContact O-CA 3.15Å; S5-G8 PolarHBondContact O-N 3.15Å; S5-G8 PolarHBondContact OG-N 3.21Å; R6-G8 PolarHBondContact O-N 3.21Å; G8-M11 PolarHBondContact O-N 3Å; G8-S12 PolarHBondContact O-N 3.49Å; G8-S12 PolarHBondContact O-OG 3.49Å; G8-S12 VanDerWaalsContact O-OG 3.1Å
9Q85.3Confident81.9Confident91 Ų9194.7 Ų94.743%0.42550%0.502SS..Hα-helixtrans-66.1-39.5176.9-68.3-177-23.300112.5L4 S5 R6 S12 L13 L29L4-Q9 HydrophobicContact CB-CG 4.15Å; S5-Q9 PolarHBondContact O-N 3.35Å; R6-Q9 PolarHBondContact O-N 3.05Å; Q9-S12 PolarHBondContact O-N 3.46Å; Q9-L13 WeakPolarHBondContact O-CB 3.45Å; Q9-L13 PolarHBondContact O-N 3.3Å; Q9-L29 HydrophobicContact CG-CD2 4.21Å
10E91.1Very high82.6Confident111 Ų11191.3 Ų91.352%0.51948%0.484SS..Hα-helixtrans-63.1-43.3175.8-73.4168.2-167.800111.8R6 A7 L13 A14R6-E10 IonicContact NE-OE1 2.67Å; R6-E10 WeakPolarHBondContact O-CG 3.44Å; R6-E10 PolarHBondContact O-N 3.47Å; A7-E10 PolarHBondContact O-N 2.71Å; E10-L13 PolarHBondContact O-N 3.03Å; E10-A14 WeakPolarHBondContact O-CB 3.46Å; E10-A14 PolarHBondContact O-N 3.02Å
11M92.8Very high83.3Confident129 Ų12991.9 Ų91.964%0.63549%0.493SS*.Hα-helixtrans-64.4-45.8175.8-72.8-174.4-67.700111.8A7 G8 L13 A14 A15A7-M11 WeakPolarHBondContact O-CE 3.39Å; A7-M11 WeakPolarHBondContact O-CG 3.41Å; A7-M11 PolarHBondContact O-N 2.9Å; G8-M11 PolarHBondContact O-N 3Å; M11-L13 VanDerWaalsContact C-N 3.34Å; M11-L13 PolarHBondContact O-N 2.94Å; M11-A14 PolarHBondContact O-N 3.05Å; M11-A15 PolarHBondContact O-N 3.22Å
12S93.9Very high85.9Confident32 Ų3289.7 Ų89.722%0.22448%0.476CS..Hα-helixtrans-59.2-45.6175.7-630000111.3G8 Q9 A14 A15 L16G8-S12 PolarHBondContact O-N 3.49Å; G8-S12 PolarHBondContact O-OG 3.49Å; G8-S12 VanDerWaalsContact O-OG 3.1Å; Q9-S12 PolarHBondContact O-N 3.46Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 3.34Å; S12-A15 PolarHBondContact O-N 3.39Å; S12-L16 VanDerWaalsContact O-CG 3.3Å; S12-L16 WeakPolarHBondContact O-CG 3.39Å; S12-L16 PolarHBondContact O-N 3.37Å
13L96.1Very high88.5Confident37 Ų3780.6 Ų80.619%0.19443%0.434CS..Hα-helixtrans-61.9-41.7177.6178.560.7000112Q9 E10 M11 L16 K17 I23 I26Q9-L13 WeakPolarHBondContact O-CB 3.45Å; Q9-L13 PolarHBondContact O-N 3.3Å; E10-L13 PolarHBondContact O-N 3.03Å; M11-L13 VanDerWaalsContact C-N 3.34Å; M11-L13 PolarHBondContact O-N 2.94Å; L13-L16 PolarHBondContact O-N 3.07Å; L13-K17 HydrophobicContact CD1-CD 4.37Å; L13-K17 HydrophobicContact CD1-CG 4.39Å; L13-K17 HydrophobicContact CG-CD 4.28Å; L13-K17 WeakPolarHBondContact O-CB 3.25Å; L13-K17 WeakPolarHBondContact O-CG 3.46Å; L13-K17 PolarHBondContact O-N 3.28Å; L13-I23 HydrophobicContact CD1-CG2 3.74Å; L13-I26 HydrophobicContact CB-CD1 4.05Å; L13-I26 HydrophobicContact CB-CG1 4.43Å; L13-I26 HydrophobicContact CD1-CG1 4.28Å
14A96.4Very high90.6Very high51 Ų5179.1 Ų79.142%0.42142%0.415SS..Hα-helixtrans-62.2-43.4176.600000111.7E10 M11 S12 K17 Q18E10-A14 WeakPolarHBondContact O-CB 3.46Å; E10-A14 PolarHBondContact O-N 3.02Å; M11-A14 PolarHBondContact O-N 3.05Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 3.34Å; A14-K17 PolarHBondContact O-N 3.49Å; A14-Q18 WeakPolarHBondContact O-CG 3.25Å; A14-Q18 PolarHBondContact O-N 2.99Å; A14-Q18 VanDerWaalsContact O-N 3.15Å
15A94.6Very high92.4Very high48 Ų4877 Ų7740%0.39741%0.407SS..Hα-helixtrans-63.1-43.6176.500000112M11 S12 K17 Q18M11-A15 PolarHBondContact O-N 3.22Å; S12-A15 PolarHBondContact O-N 3.39Å; A15-K17 VanDerWaalsContact C-N 3.32Å; A15-K17 PolarHBondContact O-N 3.17Å; A15-Q18 WeakPolarHBondContact O-CB 3.34Å; A15-Q18 PolarHBondContact O-N 3.45Å
16L96.2Very high93.5Very high19 Ų1975.2 Ų75.210%0.09939%0.391CS..Hα-helixtrans-61-41.6175.7-67.8177.1000111.7S12 L13 Q18 H19 D20 I23 I26 F53 T66S12-L16 VanDerWaalsContact O-CG 3.3Å; S12-L16 WeakPolarHBondContact O-CG 3.39Å; S12-L16 PolarHBondContact O-N 3.37Å; L13-L16 PolarHBondContact O-N 3.07Å; L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 3.4Å; L16-H19 PolarHBondContact O-N 3.27Å; L16-H19 VanDerWaalsContact O-N 3.14Å; L16-D20 PolarHBondContact O-N 3.15Å; L16-I23 HydrophobicContact CB-CD1 3.84Å; L16-I26 HydrophobicContact CD1-CD1 4.36Å; L16-I26 HydrophobicContact CD1-CG1 4.23Å; L16-F53 HydrophobicContact CD1-CB 4.15Å; L16-F53 HydrophobicContact CD1-CD1 4.4Å; L16-F53 HydrophobicContact CD1-CG 4.22Å; L16-T66 HydrophobicContact CD2-CG2 3.6Å
17K97.1Very high94.4Very high85 Ų8567.4 Ų67.437%0.3737%0.368SS..Hα-helixtrans-65.3-25.9177.5-79.4176.7169.8176.50114.3L13 A14 A15 H19 D20 I23L13-K17 HydrophobicContact CD1-CD 4.37Å; L13-K17 HydrophobicContact CD1-CG 4.39Å; L13-K17 HydrophobicContact CG-CD 4.28Å; L13-K17 WeakPolarHBondContact O-CB 3.25Å; L13-K17 WeakPolarHBondContact O-CG 3.46Å; L13-K17 PolarHBondContact O-N 3.28Å; A14-K17 PolarHBondContact O-N 3.49Å; A15-K17 VanDerWaalsContact C-N 3.32Å; A15-K17 PolarHBondContact O-N 3.17Å; K17-H19 PolarHBondContact O-N 2.96Å; K17-D20 WeakPolarHBondContact CA-O 3.34Å; K17-D20 CarbonylContact O-C 3.58Å; K17-I23 WeakPolarHBondContact CE-O 3.49Å; K17-I23 HydrophobicContact CG-CB 4.22Å; K17-I23 HydrophobicContact CG-CG2 4.46Å
18Q95.6Very high95Very high161 Ų16166.7 Ų66.775%0.75236%0.357SS*.Hα-helixtrans-65.1-30.6174.3-72177.41.800112A14 A15 L16A14-Q18 WeakPolarHBondContact O-CG 3.25Å; A14-Q18 PolarHBondContact O-N 2.99Å; A14-Q18 VanDerWaalsContact O-N 3.15Å; A15-Q18 WeakPolarHBondContact O-CB 3.34Å; A15-Q18 PolarHBondContact O-N 3.45Å; L16-Q18 VanDerWaalsContact C-N 3.28Å; L16-Q18 PolarHBondContact O-N 3.4Å
19H93.3Very high95.5Very high160 Ų16067.5 Ų67.574%0.74136%0.359SS*.Hα-helixtrans-92-36.5177.8-67.3-71.2000113L16 K17L16-H19 PolarHBondContact O-N 3.27Å; L16-H19 VanDerWaalsContact O-N 3.14Å; K17-H19 PolarHBondContact O-N 2.96Å
20D96.7Very high95.9Very high27 Ų2763.2 Ų63.214%0.14434%0.339CS..  trans-133.2100176.1-1795.5000111.2L16 K17 Y22 I23 R57L16-D20 PolarHBondContact O-N 3.15Å; K17-D20 WeakPolarHBondContact CA-O 3.34Å; K17-D20 CarbonylContact O-C 3.58Å; D20-Y22 PolarHBondContact O-N 3.26Å; D20-Y22 VanDerWaalsContact O-N 3.11Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.47Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.4Å; D20-Y22 PolarHBondContact OD1-N 3.01Å; D20-I23 HydrophobicContact CB-CD1 3.78Å; D20-I23 HydrophobicContact CB-CG1 3.86Å; D20-I23 WeakPolarHBondContact O-CB 3.38Å; D20-I23 WeakPolarHBondContact O-CG1 3.49Å; D20-I23 PolarHBondContact O-N 3.3Å; D20-I23 VanDerWaalsContact O-N 3.11Å; D20-R57 IonicContact OD1-NH2 2.74Å; D20-R57 IonicContact OD2-CZ 3.42Å; D20-R57 IonicContact OD2-NE 2.79Å; D20-R57 PolarHBondContact OD2-NE 2.82Å; D20-R57 IonicContact OD2-NH2 3.25Å; D20-R57 PolarHBondContact OD2-NH2 2.63Å
21P97.3Very high95.9Very high104 Ų10459.5 Ų59.568%0.67533%0.331SS*.THydrogen-bonded Turntrans-61.9-17.9179.7-24.434.5000114.5I23P21-I23 VanDerWaalsContact C-N 3.27Å; P21-I23 PolarHBondContact O-N 3.18Å
22Y98.1Very high96Very high127 Ų12756.6 Ų56.650%0.49832%0.315SS..THydrogen-bonded Turntrans-78.2-13.2178.9-63.6-82.1000112.5D20 T24 R57 S58 A59D20-Y22 PolarHBondContact O-N 3.26Å; D20-Y22 VanDerWaalsContact O-N 3.11Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.47Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.4Å; D20-Y22 PolarHBondContact OD1-N 3.01Å; Y22-T24 PolarHBondContact O-N 3.04Å; Y22-R57 CarbonylContact O-C 3.56Å; Y22-R57 WeakPolarHBondContact O-CA 3.44Å; Y22-S58 WeakPolarHBondContact CD1-OG 3.28Å; Y22-S58 PolarHBondContact O-N 3.02Å; Y22-S58 PolarHBondContact O-OG 3.44Å; Y22-A59 HydrophobicContact CD1-CB 3.69Å; Y22-A59 HydrophobicContact CE1-CB 4.07Å; Y22-A59 HydrophobicContact CG-CB 4.25Å
23I98.4Very high96.1Very high5 Ų555.1 Ų55.13%0.02631%0.305CS..EExtended strand (participates in β ladder)trans-62.7126.6177.1-65.9178.5000109.6L13 L16 K17 D20 P21 Y55 R56 R57L13-I23 HydrophobicContact CD1-CG2 3.74Å; L16-I23 HydrophobicContact CB-CD1 3.84Å; K17-I23 WeakPolarHBondContact CE-O 3.49Å; K17-I23 HydrophobicContact CG-CB 4.22Å; K17-I23 HydrophobicContact CG-CG2 4.46Å; D20-I23 HydrophobicContact CB-CD1 3.78Å; D20-I23 HydrophobicContact CB-CG1 3.86Å; D20-I23 WeakPolarHBondContact O-CB 3.38Å; D20-I23 WeakPolarHBondContact O-CG1 3.49Å; D20-I23 PolarHBondContact O-N 3.3Å; D20-I23 VanDerWaalsContact O-N 3.11Å; P21-I23 VanDerWaalsContact C-N 3.27Å; P21-I23 PolarHBondContact O-N 3.18Å; I23-Y55 HydrophobicContact CD1-CD1 4.36Å; I23-Y55 HydrophobicContact CD1-CD2 3.7Å; I23-Y55 HydrophobicContact CD1-CE1 4.4Å; I23-Y55 HydrophobicContact CD1-CE2 3.72Å; I23-Y55 HydrophobicContact CD1-CG 4.02Å; I23-Y55 HydrophobicContact CG1-CD2 3.63Å; I23-Y55 HydrophobicContact CG1-CE2 3.85Å; I23-Y55 HydrophobicContact CG1-CG 4.3Å; I23-Y55 HydrophobicContact CG2-CD2 4.4Å; I23-Y55 HydrophobicContact CG2-CG 4.44Å; I23-R56 CarbonylContact C-O 3.57Å; I23-R56 WeakPolarHBondContact CA-O 3.47Å; I23-R57 HydrophobicContact CG1-CG 4.35Å
24T97.9Very high96.1Very high65 Ų6553.9 Ų53.940%0.39930%0.3SS..EExtended strand (participates in β ladder)trans-101.9-44.2-17857.50000112Y22 R56Y22-T24 PolarHBondContact O-N 3.04Å; T24-R56 PolarHBondContact N-O 3.35Å; T24-R56 WeakPolarHBondContact OG1-CB 3.39Å; T24-R56 PolarHBondContact OG1-O 3.24Å
25S97.6Very high96Very high38 Ų3851.6 Ų51.627%0.26628%0.281SS..EExtended strand (participates in β ladder)trans-156.7156.9-174.857.80000111.8Y55 R56S25-Y55 WeakPolarHBondContact O-CA 3.38Å; S25-Y55 WeakPolarHBondContact O-CB 3.34Å; S25-R56 PolarHBondContact O-N 3.12Å
26I97.4Very high95.8Very high38 Ų3853.8 Ų53.820%0.19528%0.279CS..EExtended strand (participates in β ladder)trans-83.3126.5167.5-64167.7000107.5L13 L16 D28 L29 F53L13-I26 HydrophobicContact CB-CD1 4.05Å; L13-I26 HydrophobicContact CB-CG1 4.43Å; L13-I26 HydrophobicContact CD1-CG1 4.28Å; L16-I26 HydrophobicContact CD1-CD1 4.36Å; L16-I26 HydrophobicContact CD1-CG1 4.23Å; I26-D28 WeakPolarHBondContact CG2-O 3.48Å; I26-L29 HydrophobicContact CG2-CB 4.48Å; I26-F53 HydrophobicContact CD1-CD1 4.01Å; I26-F53 HydrophobicContact CD1-CE1 4.27Å; I26-F53 HydrophobicContact CG2-CD1 4.38Å
27A97.4Very high95.3Very high28 Ų2853.8 Ų53.823%0.23128%0.28CS..EExtended strand (participates in β ladder)trans-84.2-42.6177.300000111.9V54 R56 L119A27-V54 HydrophobicContact CB-CB 4.44Å; A27-V54 HydrophobicContact CB-CG1 4.28Å; A27-V54 PolarHBondContact N-O 3.38Å; A27-R56 VanDerWaalsContact CA-NH1 3.34Å; A27-R56 HydrophobicContact CB-CG 4.31Å; A27-L119 HydrophobicContact CB-CD2 4.25Å
28D97.3Very high93.8Very high34 Ų3455.4 Ų55.418%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-160.2162.8176.3-155.5-18.9000109I26 V54 R115 I116 L119I26-D28 WeakPolarHBondContact CG2-O 3.48Å; D28-V54 PolarHBondContact N-O 3.03Å; D28-V54 PolarHBondContact O-N 3.3Å; D28-R115 IonicContact OD1-CZ 3.59Å; D28-R115 IonicContact OD1-NE 3.86Å; D28-R115 PolarHBondContact OD1-NE 3.43Å; D28-R115 IonicContact OD1-NH2 2.82Å; D28-R115 PolarHBondContact OD1-NH2 3.41Å; D28-R115 VanDerWaalsContact OD2-CD 3.22Å; D28-R115 WeakPolarHBondContact OD2-CD 3.34Å; D28-R115 WeakPolarHBondContact OD2-CG 3.2Å; D28-R115 IonicContact OD2-CZ 3.61Å; D28-R115 IonicContact OD2-NE 3.57Å; D28-R115 PolarHBondContact OD2-NE 3.45Å; D28-I116 HydrophobicContact CB-CD1 3.8Å; D28-L119 HydrophobicContact CB-CD2 3.57Å
29L95.4Very high92.4Very high28 Ų2849.9 Ų49.915%0.14727%0.266CS..EExtended strand (participates in β ladder)trans-146.2157.917469.791.7000110L4 Q9 I26 L52 F53 R115L4-L29 HydrophobicContact CD1-CD1 3.49Å; L4-L29 VanDerWaalsContact CD1-CD1 3.49Å; L4-L29 HydrophobicContact CD1-CD2 3.68Å; L4-L29 HydrophobicContact CD1-CG 4.27Å; Q9-L29 HydrophobicContact CG-CD2 4.21Å; I26-L29 HydrophobicContact CG2-CB 4.48Å; L29-L52 VanDerWaalsContact CA-O 3.25Å; L29-L52 WeakPolarHBondContact CA-O 3.32Å; L29-F53 HydrophobicContact CB-CD1 3.86Å; L29-F53 HydrophobicContact CB-CE1 4.16Å; L29-F53 HydrophobicContact CD2-CE1 4.31Å; L29-R115 PolarHBondContact O-NH2 3.12Å
30T94.3Very high91.1Very high1 Ų147 Ų471%0.00626%0.261CS..  trans-127.1163.8176.771.20000111.4V33 T51 L52 F107 D112 I116T30-V33 WeakPolarHBondContact OG1-CG1 3.37Å; T30-T51 VanDerWaalsContact O-CG2 3.32Å; T30-T51 WeakPolarHBondContact O-CG2 3.19Å; T30-L52 PolarHBondContact N-O 3.4Å; T30-L52 WeakPolarHBondContact OG1-CB 3.44Å; T30-F107 HydrophobicContact CG2-CD1 4.3Å; T30-F107 HydrophobicContact CG2-CE1 3.97Å; T30-D112 VanDerWaalsContact CB-OD2 3.31Å; T30-D112 WeakPolarHBondContact CB-OD2 3.32Å; T30-D112 HydrophobicContact CG2-CB 3.71Å; T30-I116 HydrophobicContact CG2-CD1 3.71Å; T30-I116 HydrophobicContact CG2-CG1 3.25Å
31G90.3Very high89.8Confident33 Ų3355.5 Ų55.534%0.3430%0.297SS..SBendtrans-65.2-98.1179.900000113.5T51 D112G31-T51 WeakPolarHBondContact O-CA 3.36Å; G31-T51 PolarHBondContact O-OG1 3.35Å; G31-D112 PolarHBondContact N-OD2 3.03Å
32Q94.4Very high88.2Confident68 Ų6853.6 Ų53.632%0.31829%0.29SS..  trans-110.1128.7-178.5-176177.72.600109.7E49 G50 Y108Q32-E49 PolarHBondContact NE2-OE1 3.49Å; Q32-G50 CarbonylContact C-O 3.55Å; Q32-G50 WeakPolarHBondContact CA-O 3.49Å; Q32-Y108 WeakPolarHBondContact O-CB 3.47Å; Q32-Y108 PolarHBondContact O-N 3.06Å
33V97Very high86.6Confident0 Ų053.9 Ų53.90%030%0.3CS..EExtended strand (participates in β ladder)trans-131.4156.5173-59.50000110.4T30 E49 G50 L52 I67 I105 W106 F107T30-V33 WeakPolarHBondContact OG1-CG1 3.37Å; V33-E49 CarbonylContact O-C 3.58Å; V33-E49 WeakPolarHBondContact O-CA 3.41Å; V33-E49 WeakPolarHBondContact O-CG 3.22Å; V33-G50 WeakPolarHBondContact CG2-O 3.49Å; V33-G50 PolarHBondContact N-O 3.38Å; V33-G50 PolarHBondContact O-N 3.38Å; V33-L52 HydrophobicContact CG1-CB 4.2Å; V33-L52 HydrophobicContact CG2-CB 3.92Å; V33-I67 HydrophobicContact CG2-CD1 3.9Å; V33-I67 HydrophobicContact CG2-CG1 3.99Å; V33-I67 HydrophobicContact CG2-CG2 3.74Å; V33-I105 HydrophobicContact CB-CG2 3.85Å; V33-I105 HydrophobicContact CG1-CG2 4.19Å; V33-I105 HydrophobicContact CG2-CG2 4.31Å; V33-W106 CarbonylContact C-O 3.53Å; V33-W106 WeakPolarHBondContact CA-O 3.41Å; V33-W106 WeakPolarHBondContact CB-O 3.39Å; V33-F107 HydrophobicContact CG1-CD1 3.58Å; V33-F107 HydrophobicContact CG1-CE1 3.78Å; V33-F107 HydrophobicContact CG1-CG 4.06Å; V33-F107 HydrophobicContact CG1-CZ 4.4Å
34A95.7Very high84.9Confident11 Ų1159.6 Ų59.69%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-127.7135.1171.300000110.1Y36 I48 E49 I105 W106A34-Y36 HydrophobicContact CB-CE2 3.98Å; A34-I48 CarbonylContact C-O 3.59Å; A34-I48 WeakPolarHBondContact CA-O 3.44Å; A34-E49 HydrophobicContact CB-CG 4.34Å; A34-I105 CarbonylContact O-C 3.45Å; A34-I105 WeakPolarHBondContact O-CA 3.38Å; A34-W106 HydrophobicContact CB-CE3 4.29Å; A34-W106 PolarHBondContact N-O 3.39Å; A34-W106 PolarHBondContact O-N 3.07Å
35L95.1Very high83.6Confident3 Ų363.3 Ų63.32%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-102119.5179-177.778.7000110.5T37 T46 I48 I67 L76 Y95 Y103 I105L35-T37 HydrophobicContact CD2-CG2 3.9Å; L35-T37 HydrophobicContact CG-CG2 3.97Å; L35-T46 PolarHBondContact O-OG1 3.49Å; L35-I48 HydrophobicContact CB-CB 4.04Å; L35-I48 HydrophobicContact CB-CG2 4.32Å; L35-I48 HydrophobicContact CD2-CB 4.34Å; L35-I48 HydrophobicContact CD2-CD1 3.95Å; L35-I48 PolarHBondContact N-O 3.01Å; L35-I67 HydrophobicContact CB-CD1 4.05Å; L35-I67 HydrophobicContact CD1-CD1 4.28Å; L35-L76 HydrophobicContact CD1-CD2 4.03Å; L35-L76 HydrophobicContact CD2-CB 4.33Å; L35-L76 HydrophobicContact CD2-CD1 4.11Å; L35-L76 HydrophobicContact CD2-CD2 3.91Å; L35-L76 HydrophobicContact CD2-CG 4.34Å; L35-Y95 HydrophobicContact CD1-CE1 4.26Å; L35-Y103 HydrophobicContact CD1-CD1 4.13Å; L35-Y103 HydrophobicContact CD2-CD1 4.25Å; L35-Y103 HydrophobicContact CG-CD1 4.49Å; L35-I105 HydrophobicContact CD1-CG1 3.64Å
36Y89.4Confident82.3Confident95 Ų9563.9 Ų63.937%0.37334%0.336SS..EExtended strand (participates in β ladder)trans-101.5121.4172-59.9-84.1000109.5A34 W45 F92 S104 W106A34-Y36 HydrophobicContact CB-CE2 3.98Å; Y36-W45 HydrophobicContact CD1-CE3 4.26Å; Y36-F92 HydrophobicContact CE2-CE1 4.47Å; Y36-S104 PolarHBondContact N-O 3.41Å; Y36-S104 PolarHBondContact O-N 2.67Å; Y36-W106 HydrophobicContact CD2-CB 4.28Å; Y36-W106 HydrophobicContact CE2-CB 3.69Å
37T84.6Confident81.3Confident19 Ų1967.3 Ų67.312%0.11735%0.354CS..EExtended strand (participates in β ladder)trans-123.6136.716970.30000109L35 C39 W45 T46 Y103L35-T37 HydrophobicContact CD2-CG2 3.9Å; L35-T37 HydrophobicContact CG-CG2 3.97Å; T37-C39 PolarHBondContact O-N 3.43Å; T37-W45 WeakPolarHBondContact O-CA 3.49Å; T37-T46 WeakPolarHBondContact CG2-OG1 3.35Å; T37-T46 PolarHBondContact N-OG1 3.42Å; T37-T46 WeakPolarHBondContact OG1-CB 3.21Å; T37-T46 WeakPolarHBondContact OG1-CG2 3.41Å; T37-T46 PolarHBondContact OG1-OG1 3.25Å; T37-Y103 HydrophobicContact CG2-CD1 3.14Å; T37-Y103 HydrophobicContact CG2-CE1 3.5Å; T37-Y103 VanDerWaalsContact CG2-CE1 3.5Å; T37-Y103 HydrophobicContact CG2-CG 4.09Å
38F66.1Low81.1Confident119 Ų11967.2 Ų67.252%0.52235%0.35SS..EExtended strand (participates in β ladder)trans-86.6108.8172.7-177.2-104.7000108.4P40 W45F38-P40 HydrophobicContact CD1-CG 3.96Å; F38-P40 HydrophobicContact CE1-CB 4.03Å; F38-P40 HydrophobicContact CE1-CG 3.88Å; F38-P40 VanDerWaalsContact O-CD 3.3Å; F38-P40 WeakPolarHBondContact O-CD 3.28Å; F38-W45 HydrophobicContact CB-CH2 4.5Å; F38-W45 HydrophobicContact CB-CZ3 4.27Å; F38-W45 HydrophobicContact CD2-CH2 4.48Å; F38-W45 HydrophobicContact CD2-CZ2 4.48Å
39C66.9Low81Confident44 Ų4468.8 Ų68.830%0.29736%0.356SS..EExtended strand (participates in β ladder)trans-92.6105.5171.4-177.60000109.6T37 K41 A42 N43 Q44T37-C39 PolarHBondContact O-N 3.43Å; C39-K41 PolarHBondContact O-N 2.89Å; C39-A42 HydrophobicContact CB-CB 4.2Å; C39-A42 PolarHBondContact O-N 3.16Å; C39-N43 PolarHBondContact O-N 2.84Å; C39-Q44 PolarHBondContact N-O 2.82Å
40P66.5Low81Confident100 Ų10067.5 Ų67.565%0.64935%0.349SS*.THydrogen-bonded Turntrans-65.3-28.2-177.5-18.531.6000112.5F38F38-P40 HydrophobicContact CD1-CG 3.96Å; F38-P40 HydrophobicContact CE1-CB 4.03Å; F38-P40 HydrophobicContact CE1-CG 3.88Å; F38-P40 VanDerWaalsContact O-CD 3.3Å; F38-P40 WeakPolarHBondContact O-CD 3.28Å
41K69.3Low81.1Confident206 Ų20668.2 Ų68.290%0.89635%0.354SS*.THydrogen-bonded Turntrans-76-34.3-177.5-63.7-175.6-179.9178.20113C39C39-K41 PolarHBondContact O-N 2.89Å
42A63.3Low81.4Confident63 Ų6366.7 Ų66.752%0.52134%0.337SS..THydrogen-bonded Turntrans-100.3-11.6-177.400000113C39 Q44C39-A42 HydrophobicContact CB-CB 4.2Å; C39-A42 PolarHBondContact O-N 3.16Å; A42-Q44 HydrophobicContact CB-CB 4.28Å; A42-Q44 PolarHBondContact O-N 2.97Å; A42-Q44 VanDerWaalsContact O-N 3.13Å
43N63.5Low81.6Confident134 Ų13464 Ų6472%0.71733%0.325SS*.THydrogen-bonded Turntrans47.836.5-171.9-164.347.7000112.6C39C39-N43 PolarHBondContact O-N 2.84Å
44Q63.3Low81.6Confident124 Ų12464 Ų6458%0.57933%0.325SS*.EExtended strand (participates in β ladder)trans-134.8148.4-175.2-162.6-178.140.500109.7C39 A42C39-Q44 PolarHBondContact N-O 2.82Å; A42-Q44 HydrophobicContact CB-CB 4.28Å; A42-Q44 PolarHBondContact O-N 2.97Å; A42-Q44 VanDerWaalsContact O-N 3.13Å
45W70.6Confident81.8Confident143 Ų14364 Ų6454%0.54232%0.323SS..EExtended strand (participates in β ladder)trans-82.2143.6169.7-60.395.9000110Y36 T37 F38Y36-W45 HydrophobicContact CD1-CE3 4.26Å; T37-W45 WeakPolarHBondContact O-CA 3.49Å; F38-W45 HydrophobicContact CB-CH2 4.5Å; F38-W45 HydrophobicContact CB-CZ3 4.27Å; F38-W45 HydrophobicContact CD2-CH2 4.48Å; F38-W45 HydrophobicContact CD2-CZ2 4.48Å
46T69.9Low81.9Confident51 Ų5168.6 Ų68.631%0.31334%0.34SS..  trans-73.6139.9173.944.50000112.4L35 T37 I48L35-T46 PolarHBondContact O-OG1 3.49Å; T37-T46 WeakPolarHBondContact CG2-OG1 3.35Å; T37-T46 PolarHBondContact N-OG1 3.42Å; T37-T46 WeakPolarHBondContact OG1-CB 3.21Å; T37-T46 WeakPolarHBondContact OG1-CG2 3.41Å; T37-T46 PolarHBondContact OG1-OG1 3.25Å; T46-I48 PolarHBondContact O-N 2.98Å
47D77Confident82.3Confident110 Ų11066.3 Ų66.359%0.58833%0.33SS*.  trans-9766.5177.9-58.9-35.5000111.5N69D47-N69 PolarHBondContact O-ND2 2.76Å
48I93.3Very high83Confident25 Ų2569 Ų6913%0.12835%0.35CS..EExtended strand (participates in β ladder)trans-106.1113.2169.9-62.6178.3000108.4A34 L35 T46 I67 N69 L76A34-I48 CarbonylContact C-O 3.59Å; A34-I48 WeakPolarHBondContact CA-O 3.44Å; L35-I48 HydrophobicContact CB-CB 4.04Å; L35-I48 HydrophobicContact CB-CG2 4.32Å; L35-I48 HydrophobicContact CD2-CB 4.34Å; L35-I48 HydrophobicContact CD2-CD1 3.95Å; L35-I48 PolarHBondContact N-O 3.01Å; T46-I48 PolarHBondContact O-N 2.98Å; I48-I67 HydrophobicContact CG2-CB 4.04Å; I48-I67 HydrophobicContact CG2-CG2 3.7Å; I48-N69 HydrophobicContact CG2-CB 4.32Å; I48-L76 HydrophobicContact CD1-CB 4.28Å
49E95.1Very high84.4Confident68 Ų6864.8 Ų64.832%0.31834%0.338SS..EExtended strand (participates in β ladder)trans-135.1128.3178.3-170.1-170.6136.200109.6Q32 V33 A34 N69 R70 L71Q32-E49 PolarHBondContact NE2-OE1 3.49Å; V33-E49 CarbonylContact O-C 3.58Å; V33-E49 WeakPolarHBondContact O-CA 3.41Å; V33-E49 WeakPolarHBondContact O-CG 3.22Å; A34-E49 HydrophobicContact CB-CG 4.34Å; E49-N69 PolarHBondContact O-OD1 3.49Å; E49-N69 VanDerWaalsContact O-OD1 3.06Å; E49-R70 PolarHBondContact O-N 2.77Å; E49-L71 HydrophobicContact CB-CD1 4.11Å; E49-L71 HydrophobicContact CB-CG 4.45Å
50G95.6Very high85.7Confident0 Ų066.5 Ų66.50%035%0.35CS..EExtended strand (participates in β ladder)trans169.3-140.2-18000000114.5Q32 V33 V68Q32-G50 CarbonylContact C-O 3.55Å; Q32-G50 WeakPolarHBondContact CA-O 3.49Å; V33-G50 WeakPolarHBondContact CG2-O 3.49Å; V33-G50 PolarHBondContact N-O 3.38Å; V33-G50 PolarHBondContact O-N 3.38Å; G50-V68 WeakPolarHBondContact CA-O 3.36Å
51T95.8Very high87.1Confident17 Ų1763.2 Ų63.210%0.10433%0.329CS..EExtended strand (participates in β ladder)trans-108.5128-172.5-68.60000110.4T30 G31 F53 I67 V68 R70T30-T51 VanDerWaalsContact O-CG2 3.32Å; T30-T51 WeakPolarHBondContact O-CG2 3.19Å; G31-T51 WeakPolarHBondContact O-CA 3.36Å; G31-T51 PolarHBondContact O-OG1 3.35Å; T51-F53 HydrophobicContact CG2-CD2 3.99Å; T51-F53 HydrophobicContact CG2-CE1 4.19Å; T51-F53 HydrophobicContact CG2-CE2 3.33Å; T51-F53 HydrophobicContact CG2-CZ 3.45Å; T51-F53 VanDerWaalsContact CG2-CZ 3.45Å; T51-I67 WeakPolarHBondContact O-CA 3.3Å; T51-V68 PolarHBondContact N-O 3.41Å; T51-V68 VanDerWaalsContact N-O 3.13Å; T51-V68 PolarHBondContact O-N 3.08Å; T51-R70 PolarHBondContact OG1-NE 3.29Å; T51-R70 PolarHBondContact OG1-NH2 3.1Å
52L97.6Very high88.4Confident0 Ų057.4 Ų57.40%030%0.302CS..EExtended strand (participates in β ladder)trans-89130.2176.3-169.5150.9000109.8L29 T30 V33 V54 F65 T66 I67 I105 F107 I116L29-L52 VanDerWaalsContact CA-O 3.25Å; L29-L52 WeakPolarHBondContact CA-O 3.32Å; T30-L52 PolarHBondContact N-O 3.4Å; T30-L52 WeakPolarHBondContact OG1-CB 3.44Å; V33-L52 HydrophobicContact CG1-CB 4.2Å; V33-L52 HydrophobicContact CG2-CB 3.92Å; L52-V54 HydrophobicContact CD2-CG2 3.58Å; L52-F65 HydrophobicContact CD1-CD2 4.39Å; L52-T66 CarbonylContact C-O 3.58Å; L52-T66 WeakPolarHBondContact CA-O 3.5Å; L52-I67 HydrophobicContact CB-CG1 4.28Å; L52-I67 HydrophobicContact CD1-CD1 4.42Å; L52-I67 HydrophobicContact CD1-CG1 4.14Å; L52-I67 HydrophobicContact CG-CG1 4.22Å; L52-I105 HydrophobicContact CD1-CD1 4.01Å; L52-I105 HydrophobicContact CD1-CG2 4.25Å; L52-F107 HydrophobicContact CD1-CE1 4.4Å; L52-F107 HydrophobicContact CD1-CZ 4.18Å; L52-I116 HydrophobicContact CD2-CD1 4.35Å; L52-I116 HydrophobicContact CD2-CG1 4.48Å; L52-I116 HydrophobicContact CD2-CG2 4.26Å
53F97.8Very high90.1Very high13 Ų1355.4 Ų55.46%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-119.5128.6171.2-63.3-90.7000109.3L16 I26 L29 T51 F65 T66 V68L16-F53 HydrophobicContact CD1-CB 4.15Å; L16-F53 HydrophobicContact CD1-CD1 4.4Å; L16-F53 HydrophobicContact CD1-CG 4.22Å; I26-F53 HydrophobicContact CD1-CD1 4.01Å; I26-F53 HydrophobicContact CD1-CE1 4.27Å; I26-F53 HydrophobicContact CG2-CD1 4.38Å; L29-F53 HydrophobicContact CB-CD1 3.86Å; L29-F53 HydrophobicContact CB-CE1 4.16Å; L29-F53 HydrophobicContact CD2-CE1 4.31Å; T51-F53 HydrophobicContact CG2-CD2 3.99Å; T51-F53 HydrophobicContact CG2-CE1 4.19Å; T51-F53 HydrophobicContact CG2-CE2 3.33Å; T51-F53 HydrophobicContact CG2-CZ 3.45Å; T51-F53 VanDerWaalsContact CG2-CZ 3.45Å; F53-F65 CarbonylContact O-C 3.44Å; F53-F65 WeakPolarHBondContact O-CA 3.3Å; F53-F65 VanDerWaalsContact O-CB 3.28Å; F53-F65 WeakPolarHBondContact O-CB 3.22Å; F53-T66 HydrophobicContact CB-CG2 3.96Å; F53-T66 HydrophobicContact CD2-CG2 4.27Å; F53-T66 PolarHBondContact N-O 2.86Å; F53-T66 PolarHBondContact O-N 3.24Å; F53-V68 HydrophobicContact CD2-CG2 3.85Å; F53-V68 HydrophobicContact CE2-CB 4.26Å; F53-V68 HydrophobicContact CE2-CG2 3.77Å
54V98.2Very high91.7Very high0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-100.4130.1165.5-171.10000107.5A27 D28 L52 F65 I116 L119 M120A27-V54 HydrophobicContact CB-CB 4.44Å; A27-V54 HydrophobicContact CB-CG1 4.28Å; A27-V54 PolarHBondContact N-O 3.38Å; D28-V54 PolarHBondContact N-O 3.03Å; D28-V54 PolarHBondContact O-N 3.3Å; L52-V54 HydrophobicContact CD2-CG2 3.58Å; V54-F65 HydrophobicContact CG2-CB 4.24Å; V54-I116 HydrophobicContact CG2-CD1 3.92Å; V54-I116 HydrophobicContact CG2-CG2 4.41Å; V54-L119 HydrophobicContact CB-CD2 3.96Å; V54-L119 HydrophobicContact CG1-CD2 3.82Å; V54-L119 HydrophobicContact CG1-CG 4.41Å; V54-L119 HydrophobicContact CG2-CD2 4.17Å; V54-M120 HydrophobicContact CB-CE 4.49Å; V54-M120 HydrophobicContact CG1-CE 4.22Å; V54-M120 HydrophobicContact CG2-CE 3.49Å; V54-M120 VanDerWaalsContact CG2-CE 3.49Å
55Y98.3Very high93.4Very high11 Ų1143.1 Ų43.14%0.04322%0.22CC..EExtended strand (participates in β ladder)trans-134.6156.5-173.254.3-98.1000112.5I23 S25 R57 H63 G64 T66I23-Y55 HydrophobicContact CD1-CD1 4.36Å; I23-Y55 HydrophobicContact CD1-CD2 3.7Å; I23-Y55 HydrophobicContact CD1-CE1 4.4Å; I23-Y55 HydrophobicContact CD1-CE2 3.72Å; I23-Y55 HydrophobicContact CD1-CG 4.02Å; I23-Y55 HydrophobicContact CG1-CD2 3.63Å; I23-Y55 HydrophobicContact CG1-CE2 3.85Å; I23-Y55 HydrophobicContact CG1-CG 4.3Å; I23-Y55 HydrophobicContact CG2-CD2 4.4Å; I23-Y55 HydrophobicContact CG2-CG 4.44Å; S25-Y55 WeakPolarHBondContact O-CA 3.38Å; S25-Y55 WeakPolarHBondContact O-CB 3.34Å; Y55-R57 HydrophobicContact CD2-CG 3.93Å; Y55-R57 HydrophobicContact CE2-CG 3.99Å; Y55-H63 WeakPolarHBondContact O-CA 3.41Å; Y55-G64 WeakPolarHBondContact CD1-O 3.24Å; Y55-G64 PolarHBondContact N-O 2.82Å; Y55-G64 PolarHBondContact O-N 3.2Å; Y55-G64 VanDerWaalsContact O-N 3.08Å; Y55-T66 HydrophobicContact CD1-CG2 4.32Å; Y55-T66 HydrophobicContact CE1-CG2 3.88Å
56R98.4Very high94.7Very high99 Ų9936.6 Ų36.637%0.37420%0.196SC..EExtended strand (participates in β ladder)trans-99.1149174.4-58.7-170.9178.180.85110.2I23 T24 S25 A27 Y62I23-R56 CarbonylContact C-O 3.57Å; I23-R56 WeakPolarHBondContact CA-O 3.47Å; T24-R56 PolarHBondContact N-O 3.35Å; T24-R56 WeakPolarHBondContact OG1-CB 3.39Å; T24-R56 PolarHBondContact OG1-O 3.24Å; S25-R56 PolarHBondContact O-N 3.12Å; A27-R56 VanDerWaalsContact CA-NH1 3.34Å; A27-R56 HydrophobicContact CB-CG 4.31Å; R56-Y62 CarbonylContact C-O 3.52Å; R56-Y62 WeakPolarHBondContact CA-O 3.42Å
57R98.3Very high96Very high46 Ų4634.1 Ų34.117%0.17418%0.181CC..EExtended strand (participates in β ladder)trans-124.9153.1179.8-57.6177.273-126.94.7110.8D20 Y22 I23 Y55 A59 S60 P61 Y62D20-R57 IonicContact OD1-NH2 2.74Å; D20-R57 IonicContact OD2-CZ 3.42Å; D20-R57 IonicContact OD2-NE 2.79Å; D20-R57 PolarHBondContact OD2-NE 2.82Å; D20-R57 IonicContact OD2-NH2 3.25Å; D20-R57 PolarHBondContact OD2-NH2 2.63Å; Y22-R57 CarbonylContact O-C 3.56Å; Y22-R57 WeakPolarHBondContact O-CA 3.44Å; I23-R57 HydrophobicContact CG1-CG 4.35Å; Y55-R57 HydrophobicContact CD2-CG 3.93Å; Y55-R57 HydrophobicContact CE2-CG 3.99Å; R57-A59 VanDerWaalsContact C-N 3.32Å; R57-A59 PolarHBondContact NH1-O 3.26Å; R57-S60 PolarHBondContact NH1-O 3.01Å; R57-P61 VanDerWaalsContact CD-O 3.3Å; R57-P61 WeakPolarHBondContact CD-O 3.29Å; R57-P61 PolarHBondContact NH1-O 3.43Å; R57-Y62 PolarHBondContact N-O 3.47Å
58S97.9Very high96.8Very high75 Ų7531.2 Ų31.252%0.52417%0.167SC..SBendtrans-84.5-6.2176.354.50000113.5Y22Y22-S58 WeakPolarHBondContact CD1-OG 3.28Å; Y22-S58 PolarHBondContact O-N 3.02Å; Y22-S58 PolarHBondContact O-OG 3.44Å
59A95.4Very high96.9Very high32 Ų3230.6 Ų30.626%0.26416%0.164SC..SBendtrans-135.2153.4177.400000110.3Y22 R57 P61Y22-A59 HydrophobicContact CD1-CB 3.69Å; Y22-A59 HydrophobicContact CE1-CB 4.07Å; Y22-A59 HydrophobicContact CG-CB 4.25Å; R57-A59 VanDerWaalsContact C-N 3.32Å; R57-A59 PolarHBondContact NH1-O 3.26Å; A59-P61 CarbonylContact O-C 3.23Å; A59-P61 VanDerWaalsContact O-C 3.23Å
60S94.1Very high96.8Very high79 Ų7934.7 Ų34.755%0.55218%0.176SC*.SBendtrans-61.6144.6177.3-1770000111.8R57R57-S60 PolarHBondContact NH1-O 3.01Å
61P95.9Very high96.5Very high32 Ų3240 Ų4021%0.20820%0.204CC..SBendcis-60.7135.4-1523.6-32.2000111R57 A59 H63 P79 V80R57-P61 VanDerWaalsContact CD-O 3.3Å; R57-P61 WeakPolarHBondContact CD-O 3.29Å; R57-P61 PolarHBondContact NH1-O 3.43Å; A59-P61 CarbonylContact O-C 3.23Å; A59-P61 VanDerWaalsContact O-C 3.23Å; P61-H63 PolarHBondContact O-N 3.47Å; P61-P79 HydrophobicContact CG-CB 3.62Å; P61-V80 WeakPolarHBondContact CB-O 3.4Å
62Y97.5Very high96.2Very high83 Ų8342.4 Ų42.433%0.32522%0.216SC..  trans-78.5-5.9-170.9-64.4-85000113.2R56 R57 E127R56-Y62 CarbonylContact C-O 3.52Å; R56-Y62 WeakPolarHBondContact CA-O 3.42Å; R57-Y62 PolarHBondContact N-O 3.47Å; Y62-E127 WeakPolarHBondContact CA-OE1 3.5Å; Y62-E127 VanDerWaalsContact CB-OE1 3.28Å; Y62-E127 WeakPolarHBondContact CB-OE1 3.48Å; Y62-E127 WeakPolarHBondContact CD2-OE1 3.49Å; Y62-E127 PolarHBondContact N-OE1 2.86Å
63H98.3Very high95.8Very high21 Ų2150.9 Ų50.910%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-131.6152.6174-63.285.6000110.3Y55 P61 V80 V123 E127Y55-H63 WeakPolarHBondContact O-CA 3.41Å; P61-H63 PolarHBondContact O-N 3.47Å; H63-V80 HydrophobicContact CB-CB 3.94Å; H63-V80 HydrophobicContact CB-CG1 4.45Å; H63-V80 HydrophobicContact CB-CG2 4.28Å; H63-V80 PolarHBondContact O-N 3.42Å; H63-V123 HydrophobicContact CB-CB 4.21Å; H63-V123 HydrophobicContact CB-CG1 4.45Å; H63-V123 HydrophobicContact CB-CG2 4.44Å; H63-E127 IonicContact ND1-OE1 2.69Å
64G98Very high95.5Very high0 Ų057.1 Ų57.10%029%0.287CS..EExtended strand (participates in β ladder)trans-154.2165.617300000109.4Y55 E78Y55-G64 WeakPolarHBondContact CD1-O 3.24Å; Y55-G64 PolarHBondContact N-O 2.82Å; Y55-G64 PolarHBondContact O-N 3.2Å; Y55-G64 VanDerWaalsContact O-N 3.08Å; G64-E78 WeakPolarHBondContact CA-O 3.38Å
65F98.1Very high95.3Very high0 Ų060.3 Ų60.30%030%0.304CS..EExtended strand (participates in β ladder)trans-136.9155.1167.670.9-88.5000111.9L52 F53 V54 L76 E78 V80 L84 F86 Y95 I105 M120L52-F65 HydrophobicContact CD1-CD2 4.39Å; F53-F65 CarbonylContact O-C 3.44Å; F53-F65 WeakPolarHBondContact O-CA 3.3Å; F53-F65 VanDerWaalsContact O-CB 3.28Å; F53-F65 WeakPolarHBondContact O-CB 3.22Å; V54-F65 HydrophobicContact CG2-CB 4.24Å; F65-L76 HydrophobicContact CD2-CD2 4.46Å; F65-L76 HydrophobicContact CE2-CD2 3.71Å; F65-E78 HydrophobicContact CD1-CB 4.02Å; F65-E78 HydrophobicContact CD2-CB 4.36Å; F65-E78 HydrophobicContact CE1-CB 3.5Å; F65-E78 VanDerWaalsContact CE1-CB 3.5Å; F65-E78 HydrophobicContact CE1-CG 3.7Å; F65-E78 HydrophobicContact CE2-CB 3.88Å; F65-E78 HydrophobicContact CG-CB 4.43Å; F65-E78 HydrophobicContact CZ-CB 3.41Å; F65-E78 VanDerWaalsContact CZ-CB 3.41Å; F65-E78 HydrophobicContact CZ-CG 3.72Å; F65-E78 PolarHBondContact N-O 2.97Å; F65-E78 PolarHBondContact O-N 3.31Å; F65-V80 HydrophobicContact CD1-CG2 3.94Å; F65-L84 HydrophobicContact CE1-CD2 4.06Å; F65-F86 HydrophobicContact CE1-CZ 4.22Å; F65-Y95 HydrophobicContact CE2-CE1 4.36Å; F65-Y95 HydrophobicContact CZ-CD1 4.36Å; F65-Y95 AromaticContact CZ-CE1 3.88Å; F65-Y95 HydrophobicContact CZ-CE1 3.88Å; F65-Y95 HydrophobicContact CZ-CE2 4.31Å; F65-Y95 AromaticContact CZ-CZ 3.86Å; F65-I105 HydrophobicContact CE2-CD1 3.98Å; F65-I105 HydrophobicContact CZ-CD1 4.44Å; F65-M120 HydrophobicContact CB-CE 3.68Å; F65-M120 HydrophobicContact CD1-CE 3.43Å; F65-M120 VanDerWaalsContact CD1-CE 3.43Å; F65-M120 HydrophobicContact CD1-SD 4.14Å; F65-M120 HydrophobicContact CD2-CE 4.34Å; F65-M120 HydrophobicContact CE1-CE 4.1Å; F65-M120 HydrophobicContact CG-CE 3.57Å
66T97.6Very high95.1Very high6 Ų660.5 Ų60.54%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-136145.6177.5-178.30000109.9L16 L52 F53 Y55 V68 L76L16-T66 HydrophobicContact CD2-CG2 3.6Å; L52-T66 CarbonylContact C-O 3.58Å; L52-T66 WeakPolarHBondContact CA-O 3.5Å; F53-T66 HydrophobicContact CB-CG2 3.96Å; F53-T66 HydrophobicContact CD2-CG2 4.27Å; F53-T66 PolarHBondContact N-O 2.86Å; F53-T66 PolarHBondContact O-N 3.24Å; Y55-T66 HydrophobicContact CD1-CG2 4.32Å; Y55-T66 HydrophobicContact CE1-CG2 3.88Å; T66-V68 HydrophobicContact CG2-CG2 4.21Å; T66-L76 CarbonylContact C-O 3.59Å; T66-L76 WeakPolarHBondContact CA-O 3.48Å; T66-L76 WeakPolarHBondContact CB-O 3.36Å; T66-L76 PolarHBondContact OG1-O 2.94Å
67I97.3Very high95Very high0 Ų060.2 Ų60.20%032%0.315CS..EExtended strand (participates in β ladder)trans-106.4109.4163.4-58172.5000106.2V33 L35 I48 T51 L52 N69 N75 L76 I105V33-I67 HydrophobicContact CG2-CD1 3.9Å; V33-I67 HydrophobicContact CG2-CG1 3.99Å; V33-I67 HydrophobicContact CG2-CG2 3.74Å; L35-I67 HydrophobicContact CB-CD1 4.05Å; L35-I67 HydrophobicContact CD1-CD1 4.28Å; I48-I67 HydrophobicContact CG2-CB 4.04Å; I48-I67 HydrophobicContact CG2-CG2 3.7Å; T51-I67 WeakPolarHBondContact O-CA 3.3Å; L52-I67 HydrophobicContact CB-CG1 4.28Å; L52-I67 HydrophobicContact CD1-CD1 4.42Å; L52-I67 HydrophobicContact CD1-CG1 4.14Å; L52-I67 HydrophobicContact CG-CG1 4.22Å; I67-N69 PolarHBondContact O-N 3.34Å; I67-N75 WeakPolarHBondContact O-CA 3.33Å; I67-N75 WeakPolarHBondContact O-CB 3.46Å; I67-L76 HydrophobicContact CB-CB 4.05Å; I67-L76 HydrophobicContact CD1-CD2 3.8Å; I67-L76 HydrophobicContact CG1-CB 4.41Å; I67-L76 HydrophobicContact CG1-CD2 4.08Å; I67-L76 PolarHBondContact N-O 3.38Å; I67-L76 PolarHBondContact O-N 3.21Å; I67-L76 VanDerWaalsContact O-N 3.07Å; I67-I105 HydrophobicContact CD1-CD1 4.35Å; I67-I105 HydrophobicContact CD1-CG1 4.31Å; I67-I105 HydrophobicContact CD1-CG2 4.26Å
68V95.3Very high95Very high49 Ų4958.7 Ų58.730%0.29731%0.31SS..EExtended strand (participates in β ladder)trans-77.7110174.4-179.90000107.3G50 T51 F53 T66 N75G50-V68 WeakPolarHBondContact CA-O 3.36Å; T51-V68 PolarHBondContact N-O 3.41Å; T51-V68 VanDerWaalsContact N-O 3.13Å; T51-V68 PolarHBondContact O-N 3.08Å; F53-V68 HydrophobicContact CD2-CG2 3.85Å; F53-V68 HydrophobicContact CE2-CB 4.26Å; F53-V68 HydrophobicContact CE2-CG2 3.77Å; T66-V68 HydrophobicContact CG2-CG2 4.21Å; V68-N75 WeakPolarHBondContact CA-OD1 3.49Å
69N94.7Very high94.9Very high11 Ų1157.7 Ų57.76%0.05930%0.301CS..EExtended strand (participates in β ladder)trans-71.5135.4-175.8-167.6-10.4000110D47 I48 E49 I67 L71 N72 H74 N75D47-N69 PolarHBondContact O-ND2 2.76Å; I48-N69 HydrophobicContact CG2-CB 4.32Å; E49-N69 PolarHBondContact O-OD1 3.49Å; E49-N69 VanDerWaalsContact O-OD1 3.06Å; I67-N69 PolarHBondContact O-N 3.34Å; N69-L71 WeakPolarHBondContact OD1-CB 3.44Å; N69-L71 PolarHBondContact OD1-N 3.35Å; N69-N72 WeakPolarHBondContact CB-O 2.87Å; N69-N72 PolarHBondContact ND2-OD1 2.94Å; N69-H74 VanDerWaalsContact CB-O 3.25Å; N69-H74 WeakPolarHBondContact CB-O 3.38Å; N69-H74 PolarHBondContact ND2-O 3.08Å; N69-N75 PolarHBondContact N-OD1 2.91Å
70R92.9Very high95Very high155 Ų15556.2 Ų56.259%0.58529%0.289SS*.SBendtrans-94.6-15.2177.8-65.5178.5-178.2-173.9-1.8112.5E49 T51E49-R70 PolarHBondContact O-N 2.77Å; T51-R70 PolarHBondContact OG1-NE 3.29Å; T51-R70 PolarHBondContact OG1-NH2 3.1Å
71L89.4Confident95.1Very high110 Ų11054.1 Ų54.158%0.57627%0.271SS*.SBendtrans-88.7-33-177.9-56.9178.9000112.5E49 N69E49-L71 HydrophobicContact CB-CD1 4.11Å; E49-L71 HydrophobicContact CB-CG 4.45Å; N69-L71 WeakPolarHBondContact OD1-CB 3.44Å; N69-L71 PolarHBondContact OD1-N 3.35Å
72N89.5Confident95Very high69 Ų6957.6 Ų57.637%0.36928%0.283SS..SBendtrans-158.7-177-179.86257.6000110.6N69 H74N69-N72 WeakPolarHBondContact CB-O 2.87Å; N69-N72 PolarHBondContact ND2-OD1 2.94Å; N72-H74 VanDerWaalsContact C-N 3.3Å; N72-H74 PolarHBondContact O-N 3.37Å; N72-H74 WeakPolarHBondContact OD1-CA 3.46Å; N72-H74 WeakPolarHBondContact OD1-CB 3.38Å; N72-H74 PolarHBondContact OD1-CD2 3.47Å; N72-H74 PolarHBondContact OD1-N 2.9Å
73M88.9Confident94.9Very high178 Ų17857.7 Ų57.788%0.87729%0.289SS*.SBendtrans-84.55.3-177-62.3-178.967.600114.5N75M73-N75 PolarHBondContact O-N 3.16Å
74H91.3Very high94.7Very high143 Ų14356.9 Ų56.966%0.66229%0.286SS*.  trans-87.693178.4-59.7-71.4000110.4N69 N72N69-H74 VanDerWaalsContact CB-O 3.25Å; N69-H74 WeakPolarHBondContact CB-O 3.38Å; N69-H74 PolarHBondContact ND2-O 3.08Å; N72-H74 VanDerWaalsContact C-N 3.3Å; N72-H74 PolarHBondContact O-N 3.37Å; N72-H74 WeakPolarHBondContact OD1-CA 3.46Å; N72-H74 WeakPolarHBondContact OD1-CB 3.38Å; N72-H74 PolarHBondContact OD1-CD2 3.47Å; N72-H74 PolarHBondContact OD1-N 2.9Å
75N93.7Very high94.6Very high67 Ų6762.1 Ų62.136%0.35831%0.31SS..  trans-84.7151176.1-59.6-32.1000111.2I67 V68 N69 M73I67-N75 WeakPolarHBondContact O-CA 3.33Å; I67-N75 WeakPolarHBondContact O-CB 3.46Å; V68-N75 WeakPolarHBondContact CA-OD1 3.49Å; N69-N75 PolarHBondContact N-OD1 2.91Å; M73-N75 PolarHBondContact O-N 3.16Å
76L95.3Very high94.5Very high16 Ų1664.2 Ų64.28%0.08432%0.319CS..EExtended strand (participates in β ladder)trans-81.2136.3161.9177.169.5000108.5L35 I48 F65 T66 I67L35-L76 HydrophobicContact CD1-CD2 4.03Å; L35-L76 HydrophobicContact CD2-CB 4.33Å; L35-L76 HydrophobicContact CD2-CD1 4.11Å; L35-L76 HydrophobicContact CD2-CD2 3.91Å; L35-L76 HydrophobicContact CD2-CG 4.34Å; I48-L76 HydrophobicContact CD1-CB 4.28Å; F65-L76 HydrophobicContact CD2-CD2 4.46Å; F65-L76 HydrophobicContact CE2-CD2 3.71Å; T66-L76 CarbonylContact C-O 3.59Å; T66-L76 WeakPolarHBondContact CA-O 3.48Å; T66-L76 WeakPolarHBondContact CB-O 3.36Å; T66-L76 PolarHBondContact OG1-O 2.94Å; I67-L76 HydrophobicContact CB-CB 4.05Å; I67-L76 HydrophobicContact CD1-CD2 3.8Å; I67-L76 HydrophobicContact CG1-CB 4.41Å; I67-L76 HydrophobicContact CG1-CD2 4.08Å; I67-L76 PolarHBondContact N-O 3.38Å; I67-L76 PolarHBondContact O-N 3.21Å; I67-L76 VanDerWaalsContact O-N 3.07Å
77V96.3Very high94.4Very high92 Ų9269.6 Ų69.656%0.55834%0.344SS*.EExtended strand (participates in β ladder)trans-132.7117.2166.2-179.90000107
78E97.3Very high94.4Very high15 Ų1572.6 Ų72.67%0.0736%0.36CS..EExtended strand (participates in β ladder)trans-123.4118.7-178.4-163.978.5-134.500109.7G64 F65 L84 Y95 N97G64-E78 WeakPolarHBondContact CA-O 3.38Å; F65-E78 HydrophobicContact CD1-CB 4.02Å; F65-E78 HydrophobicContact CD2-CB 4.36Å; F65-E78 HydrophobicContact CE1-CB 3.5Å; F65-E78 VanDerWaalsContact CE1-CB 3.5Å; F65-E78 HydrophobicContact CE1-CG 3.7Å; F65-E78 HydrophobicContact CE2-CB 3.88Å; F65-E78 HydrophobicContact CG-CB 4.43Å; F65-E78 HydrophobicContact CZ-CB 3.41Å; F65-E78 VanDerWaalsContact CZ-CB 3.41Å; F65-E78 HydrophobicContact CZ-CG 3.72Å; F65-E78 PolarHBondContact N-O 2.97Å; F65-E78 PolarHBondContact O-N 3.31Å; E78-L84 HydrophobicContact CG-CD1 4.37Å; E78-L84 HydrophobicContact CG-CD2 4.34Å; E78-Y95 HydrophobicContact CG-CE2 3.86Å; E78-Y95 WeakPolarHBondContact OE2-CE2 3.49Å; E78-Y95 PolarHBondContact OE2-OH 3.42Å; E78-N97 WeakPolarHBondContact OE1-CB 3.19Å; E78-N97 PolarHBondContact OE1-ND2 2.95Å
79P97.1Very high94.4Very high54 Ų5475.4 Ų75.435%0.35137%0.37SS..EExtended strand (participates in β ladder)trans-68.9135.7171.526.6-30000110.2P61 N81 L84P61-P79 HydrophobicContact CG-CB 3.62Å; P79-N81 PolarHBondContact O-N 2.75Å; P79-L84 WeakPolarHBondContact O-CD1 3.47Å
80V97.1Very high94.3Very high0 Ų079.1 Ų79.10%039%0.387CS..EExtended strand (participates in β ladder)trans-88.2110.5171.8179.70000108.4P61 H63 F65 M120 V123 V124P61-V80 WeakPolarHBondContact CB-O 3.4Å; H63-V80 HydrophobicContact CB-CB 3.94Å; H63-V80 HydrophobicContact CB-CG1 4.45Å; H63-V80 HydrophobicContact CB-CG2 4.28Å; H63-V80 PolarHBondContact O-N 3.42Å; F65-V80 HydrophobicContact CD1-CG2 3.94Å; V80-M120 HydrophobicContact CG2-SD 4.15Å; V80-V123 HydrophobicContact CG1-CB 4.36Å; V80-V123 HydrophobicContact CG1-CG2 3.67Å; V80-V123 HydrophobicContact CG2-CG2 4.47Å; V80-V124 HydrophobicContact CG1-CG2 3.67Å
81N95.1Very high94.4Very high35 Ų3573.9 Ų73.919%0.18737%0.373CS..  trans-125.7176.5175.362.139.8000110.1P79 D83 L84P79-N81 PolarHBondContact O-N 2.75Å; N81-D83 PolarHBondContact O-N 2.69Å; N81-D83 WeakPolarHBondContact OD1-CA 3.37Å; N81-D83 WeakPolarHBondContact OD1-CB 3.26Å; N81-D83 PolarHBondContact OD1-N 2.88Å; N81-L84 PolarHBondContact O-N 2.79Å; N81-L84 PolarHBondContact OD1-N 3.29Å
82K94.4Very high94.7Very high106 Ų10672.1 Ų72.146%0.46136%0.361SS..THydrogen-bonded Turntrans-64.9-15.6178.764.1172-176.9174.80114.7T128K82-T128 WeakPolarHBondContact CB-OG1 3.32Å
83D94.7Very high95.1Very high84 Ų8468.9 Ų68.945%0.44934%0.343SS..THydrogen-bonded Turntrans-93-1.3-177.7-49.2-58.8000111.3N81 A98N81-D83 PolarHBondContact O-N 2.69Å; N81-D83 WeakPolarHBondContact OD1-CA 3.37Å; N81-D83 WeakPolarHBondContact OD1-CB 3.26Å; N81-D83 PolarHBondContact OD1-N 2.88Å; D83-A98 HydrophobicContact CB-CB 4.03Å
84L95.4Very high95.4Very high5 Ų562.8 Ų62.83%0.02631%0.314CS..  trans-78.7128.4171.4-114.682.7000110.7F65 E78 P79 N81 F86 Y95 R96 N97 V124F65-L84 HydrophobicContact CE1-CD2 4.06Å; E78-L84 HydrophobicContact CG-CD1 4.37Å; E78-L84 HydrophobicContact CG-CD2 4.34Å; P79-L84 WeakPolarHBondContact O-CD1 3.47Å; N81-L84 PolarHBondContact O-N 2.79Å; N81-L84 PolarHBondContact OD1-N 3.29Å; L84-F86 HydrophobicContact CB-CE2 4.16Å; L84-F86 HydrophobicContact CD2-CE1 4.32Å; L84-F86 HydrophobicContact CD2-CE2 3.55Å; L84-F86 HydrophobicContact CD2-CZ 3.4Å; L84-F86 HydrophobicContact CG-CE2 4.37Å; L84-Y95 HydrophobicContact CD2-CD2 4.31Å; L84-R96 WeakPolarHBondContact CA-O 3.37Å; L84-N97 HydrophobicContact CD1-CB 4.02Å; L84-V124 HydrophobicContact CB-CG2 4.17Å
85E95.1Very high95.6Very high109 Ų10956.2 Ų56.251%0.50928%0.283SS..EExtended strand (participates in β ladder)trans-116.2131.2175.8-64.1170.9173.500108.8Y95 R96E85-Y95 CarbonylContact O-C 3.57Å; E85-Y95 WeakPolarHBondContact O-CA 3.31Å; E85-Y95 WeakPolarHBondContact O-CB 3.35Å; E85-R96 HydrophobicContact CB-CB 4.48Å; E85-R96 PolarHBondContact N-O 2.91Å; E85-R96 PolarHBondContact O-N 2.9Å; E85-R96 IonicContact OE2-NH1 3.64Å
86F95.9Very high95.6Very high44 Ų4457.2 Ų57.219%0.19328%0.282CS..EExtended strand (participates in β ladder)trans-116.2143.6179.2-72-82.4000111.6F65 L84 L93 L94 Y95 M120 V124F65-F86 HydrophobicContact CE1-CZ 4.22Å; L84-F86 HydrophobicContact CB-CE2 4.16Å; L84-F86 HydrophobicContact CD2-CE1 4.32Å; L84-F86 HydrophobicContact CD2-CE2 3.55Å; L84-F86 HydrophobicContact CD2-CZ 3.4Å; L84-F86 HydrophobicContact CG-CE2 4.37Å; F86-L93 HydrophobicContact CB-CD1 4.24Å; F86-L93 HydrophobicContact CD1-CD1 3.89Å; F86-L93 HydrophobicContact CD1-CD2 3.95Å; F86-L93 HydrophobicContact CD1-CG 3.86Å; F86-L93 HydrophobicContact CE1-CD2 4.07Å; F86-L93 HydrophobicContact CE1-CG 4.36Å; F86-L93 HydrophobicContact CG-CD1 4.49Å; F86-L94 CarbonylContact C-O 3.16Å; F86-L94 WeakPolarHBondContact CA-O 3.03Å; F86-Y95 VanDerWaalsContact CD1-CB 3.47Å; F86-Y95 HydrophobicContact CD1-CG 4.48Å; F86-Y95 HydrophobicContact CE1-CD1 4.43Å; F86-Y95 HydrophobicContact CE1-CG 4.1Å; F86-M120 HydrophobicContact CD1-CB 4.41Å; F86-M120 HydrophobicContact CD2-CB 3.94Å; F86-M120 HydrophobicContact CE1-CB 4.16Å; F86-M120 HydrophobicContact CE1-CG 4Å; F86-M120 HydrophobicContact CE2-CB 3.65Å; F86-M120 HydrophobicContact CE2-CG 4.12Å; F86-M120 HydrophobicContact CE2-SD 4.34Å; F86-M120 HydrophobicContact CG-CB 4.29Å; F86-M120 HydrophobicContact CZ-CB 3.74Å; F86-M120 HydrophobicContact CZ-CG 3.69Å; F86-M120 HydrophobicContact CZ-SD 3.83Å; F86-V124 HydrophobicContact CD2-CG2 4.13Å; F86-V124 HydrophobicContact CE2-CG2 3.8Å
87Q96.3Very high95.6Very high119 Ų11957 Ų5756%0.55628%0.281SS*.EExtended strand (participates in β ladder)trans-133.1123.3169.4-66.6-176.632.600109.9L94Q87-L94 HydrophobicContact CB-CB 4.32Å; Q87-L94 PolarHBondContact N-O 3.28Å; Q87-L94 PolarHBondContact O-N 2.8Å
88L96.9Very high95.3Very high64 Ų6455.4 Ų55.434%0.33528%0.278SS..EExtended strand (participates in β ladder)trans-89.3118.9178.4178.862.1000110.2E90 C113 A117L88-E90 HydrophobicContact CD1-CG 4.1Å; L88-E90 HydrophobicContact CG-CG 4.37Å; L88-C113 WeakPolarHBondContact CD1-SG 3.25Å; L88-A117 HydrophobicContact CB-CB 4.36Å; L88-A117 HydrophobicContact CD1-CB 3.95Å; L88-A117 HydrophobicContact CD2-CB 4.11Å; L88-A117 HydrophobicContact CG-CB 4.37Å
89H94.4Very high95Very high108 Ų10858.5 Ų58.550%0.530%0.301SS..EExtended strand (participates in β ladder)trans-133.478.8171.3-74.7-59.4000108.7F92 L94H89-F92 CarbonylContact C-O 3.52Å; H89-F92 PolarHBondContact N-O 2.97Å; H89-F92 CarbonylContact O-C 3.56Å; H89-F92 VanDerWaalsContact O-CA 3.31Å; H89-F92 WeakPolarHBondContact O-CA 3.42Å; H89-F92 VanDerWaalsContact O-CB 3.27Å; H89-F92 WeakPolarHBondContact O-CB 3.45Å; H89-F92 PolarHBondContact O-N 2.98Å; H89-L94 HydrophobicContact CB-CD1 4.24Å
90E92.4Very high94.7Very high88 Ų8861.1 Ų61.141%0.41131%0.311SS..THydrogen-bonded Turntrans-47.1137.1-174.1-69.8-174.9103.100113.5L88 F92 H114L88-E90 HydrophobicContact CD1-CG 4.1Å; L88-E90 HydrophobicContact CG-CG 4.37Å; E90-F92 VanDerWaalsContact C-N 3.3Å; E90-H114 IonicContact OE1-CE1 3.74Å; E90-H114 PolarHBondContact OE1-CE1 3.36Å; E90-H114 IonicContact OE1-CG 3.87Å; E90-H114 IonicContact OE1-ND1 3.15Å; E90-H114 PolarHBondContact OE1-ND1 2.95Å; E90-H114 IonicContact OE2-CE1 3.21Å; E90-H114 PolarHBondContact OE2-CE1 3.04Å; E90-H114 IonicContact OE2-ND1 3.41Å; E90-H114 IonicContact OE2-NE2 3.54Å
91P95.2Very high94.3Very high46 Ų4663.3 Ų63.330%0.29933%0.327SS..THydrogen-bonded Turncis-86.624.21.936.3-37.7000114.4F107P91-F107 PolarHBondContact O-N 3.33Å
92F96.1Very high94.1Very high73 Ų7367.2 Ų67.232%0.3235%0.346SS..EExtended strand (participates in β ladder)trans-107.7139.1-178.1-55.4-90.9000112.5Y36 H89 E90 L94 S104 I105 W106Y36-F92 HydrophobicContact CE2-CE1 4.47Å; H89-F92 CarbonylContact C-O 3.52Å; H89-F92 PolarHBondContact N-O 2.97Å; H89-F92 CarbonylContact O-C 3.56Å; H89-F92 VanDerWaalsContact O-CA 3.31Å; H89-F92 WeakPolarHBondContact O-CA 3.42Å; H89-F92 VanDerWaalsContact O-CB 3.27Å; H89-F92 WeakPolarHBondContact O-CB 3.45Å; H89-F92 PolarHBondContact O-N 2.98Å; E90-F92 VanDerWaalsContact C-N 3.3Å; F92-L94 HydrophobicContact CB-CD1 3.82Å; F92-S104 WeakPolarHBondContact CD1-OG 3.43Å; F92-I105 CarbonylContact C-O 3.57Å; F92-I105 VanDerWaalsContact CA-O 3.31Å; F92-I105 WeakPolarHBondContact CA-O 3.37Å; F92-W106 HydrophobicContact CD1-CB 3.74Å; F92-W106 AromaticContact CD1-CD1 3.8Å; F92-W106 HydrophobicContact CD1-CG 4.19Å; F92-W106 HydrophobicContact CE1-CB 3.65Å; F92-W106 AromaticContact CE1-CD1 3.34Å; F92-W106 AromaticContact CE1-CG 3.83Å; F92-W106 HydrophobicContact CE1-CG 3.83Å; F92-W106 AromaticContact CZ-CD1 3.48Å; F92-W106 VanDerWaalsContact CZ-CD1 3.48Å; F92-W106 HydrophobicContact CZ-CG 4.35Å
93L97.3Very high94.1Very high1 Ų164.1 Ų64.11%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-109.7110164.2-177.158.9000108.3F86 I105 F107 I116 A117F86-L93 HydrophobicContact CB-CD1 4.24Å; F86-L93 HydrophobicContact CD1-CD1 3.89Å; F86-L93 HydrophobicContact CD1-CD2 3.95Å; F86-L93 HydrophobicContact CD1-CG 3.86Å; F86-L93 HydrophobicContact CE1-CD2 4.07Å; F86-L93 HydrophobicContact CE1-CG 4.36Å; F86-L93 HydrophobicContact CG-CD1 4.49Å; L93-I105 PolarHBondContact N-O 3.33Å; L93-I105 PolarHBondContact O-N 3.14Å; L93-F107 HydrophobicContact CB-CE2 3.66Å; L93-F107 HydrophobicContact CB-CZ 4.37Å; L93-F107 HydrophobicContact CD2-CE2 4.49Å; L93-F107 HydrophobicContact CD2-CZ 4.4Å; L93-I116 HydrophobicContact CD2-CG2 4.18Å; L93-A117 HydrophobicContact CD1-CB 3.78Å; L93-A117 HydrophobicContact CD2-CB 4.35Å
94L95.9Very high94.1Very high50 Ų5061.2 Ų61.226%0.26232%0.318SS..EExtended strand (participates in β ladder)trans-86.8142.5175-74.270.5000108.5F86 Q87 H89 F92 Y103F86-L94 CarbonylContact C-O 3.16Å; F86-L94 WeakPolarHBondContact CA-O 3.03Å; Q87-L94 HydrophobicContact CB-CB 4.32Å; Q87-L94 PolarHBondContact N-O 3.28Å; Q87-L94 PolarHBondContact O-N 2.8Å; H89-L94 HydrophobicContact CB-CD1 4.24Å; F92-L94 HydrophobicContact CB-CD1 3.82Å; L94-Y103 VanDerWaalsContact CA-O 3.3Å; L94-Y103 WeakPolarHBondContact CA-O 3.3Å
95Y96.1Very high94.2Very high4 Ų461 Ų612%0.01632%0.317CS..EExtended strand (participates in β ladder)trans-142.6153.8170.378.1-90.9000112.5L35 F65 E78 L84 E85 F86 N97 Y103 I105L35-Y95 HydrophobicContact CD1-CE1 4.26Å; F65-Y95 HydrophobicContact CE2-CE1 4.36Å; F65-Y95 HydrophobicContact CZ-CD1 4.36Å; F65-Y95 AromaticContact CZ-CE1 3.88Å; F65-Y95 HydrophobicContact CZ-CE1 3.88Å; F65-Y95 HydrophobicContact CZ-CE2 4.31Å; F65-Y95 AromaticContact CZ-CZ 3.86Å; E78-Y95 HydrophobicContact CG-CE2 3.86Å; E78-Y95 WeakPolarHBondContact OE2-CE2 3.49Å; E78-Y95 PolarHBondContact OE2-OH 3.42Å; L84-Y95 HydrophobicContact CD2-CD2 4.31Å; E85-Y95 CarbonylContact O-C 3.57Å; E85-Y95 WeakPolarHBondContact O-CA 3.31Å; E85-Y95 WeakPolarHBondContact O-CB 3.35Å; F86-Y95 VanDerWaalsContact CD1-CB 3.47Å; F86-Y95 HydrophobicContact CD1-CG 4.48Å; F86-Y95 HydrophobicContact CE1-CD1 4.43Å; F86-Y95 HydrophobicContact CE1-CG 4.1Å; Y95-N97 HydrophobicContact CE2-CB 4.35Å; Y95-Y103 HydrophobicContact CD1-CG 4.36Å; Y95-Y103 AromaticContact CD2-CD2 3.92Å; Y95-Y103 HydrophobicContact CD2-CD2 3.92Å; Y95-Y103 HydrophobicContact CD2-CG 4.38Å; Y95-Y103 HydrophobicContact CE1-CD1 4.28Å; Y95-Y103 HydrophobicContact CE1-CD2 4.18Å; Y95-Y103 AromaticContact CE1-CG 3.67Å; Y95-Y103 HydrophobicContact CE1-CG 3.67Å; Y95-Y103 HydrophobicContact CE2-CD1 4.43Å; Y95-Y103 AromaticContact CE2-CD2 3.33Å; Y95-Y103 HydrophobicContact CE2-CD2 3.33Å; Y95-Y103 AromaticContact CE2-CE2 3.9Å; Y95-Y103 HydrophobicContact CE2-CE2 3.9Å; Y95-Y103 AromaticContact CE2-CG 3.69Å; Y95-Y103 HydrophobicContact CE2-CG 3.69Å; Y95-Y103 VanDerWaalsContact CZ-CB 3.4Å; Y95-Y103 AromaticContact CZ-CD1 3.78Å; Y95-Y103 AromaticContact CZ-CD2 3.48Å; Y95-Y103 VanDerWaalsContact CZ-CD2 3.48Å; Y95-Y103 AromaticContact CZ-CG 3.28Å; Y95-Y103 PolarHBondContact N-O 3.02Å; Y95-Y103 PolarHBondContact O-N 2.93Å; Y95-Y103 VanDerWaalsContact OH-CD1 3.32Å; Y95-Y103 WeakPolarHBondContact OH-CD1 3.32Å; Y95-I105 HydrophobicContact CD1-CD1 4.05Å; Y95-I105 HydrophobicContact CD1-CG1 4.33Å; Y95-I105 HydrophobicContact CE1-CD1 3.87Å; Y95-I105 HydrophobicContact CE1-CG1 4.1Å
96R94.3Very high94.2Very high89 Ų8959.3 Ų59.334%0.33631%0.306SS..EExtended strand (participates in β ladder)trans-121.7132.2171.1-175.3-172.1-177.5-157.44.7108.4L84 E85 S101 I102L84-R96 WeakPolarHBondContact CA-O 3.37Å; E85-R96 HydrophobicContact CB-CB 4.48Å; E85-R96 PolarHBondContact N-O 2.91Å; E85-R96 PolarHBondContact O-N 2.9Å; E85-R96 IonicContact OE2-NH1 3.64Å; R96-S101 WeakPolarHBondContact CA-O 3.12Å; R96-I102 HydrophobicContact CG-CG1 4.38Å
97N93.7Very high94.3Very high12 Ų1257.3 Ų57.36%0.06430%0.297CS..  trans-99.6-179.6178.870.80000112.4E78 L84 Y95 S99 L100 S101E78-N97 WeakPolarHBondContact OE1-CB 3.19Å; E78-N97 PolarHBondContact OE1-ND2 2.95Å; L84-N97 HydrophobicContact CD1-CB 4.02Å; Y95-N97 HydrophobicContact CE2-CB 4.35Å; N97-S99 PolarHBondContact ND2-OG 3.02Å; N97-S99 PolarHBondContact O-N 3.47Å; N97-S99 VanDerWaalsContact O-N 3.17Å; N97-S99 PolarHBondContact OD1-N 3.43Å; N97-S99 PolarHBondContact OD1-OG 3.44Å; N97-L100 WeakPolarHBondContact O-CA 3.4Å; N97-L100 PolarHBondContact O-N 3.29Å; N97-L100 PolarHBondContact OD1-N 2.82Å; N97-S101 PolarHBondContact N-O 3.45Å; N97-S101 WeakPolarHBondContact OD1-CB 3.28Å; N97-S101 PolarHBondContact OD1-N 3.33Å; N97-S101 VanDerWaalsContact OD1-N 3.08Å; N97-S101 PolarHBondContact OD1-O 3.03Å
98A91.2Very high94.3Very high58 Ų5859.4 Ų59.448%0.47930%0.301SS..THydrogen-bonded Turntrans-60.6-24.7-179.100000114D83 L100D83-A98 HydrophobicContact CB-CB 4.03Å; A98-L100 PolarHBondContact O-N 3.05Å
99S91.3Very high94.3Very high79 Ų7957.9 Ų57.955%0.55229%0.293SS*.THydrogen-bonded Turntrans-83.812.3172.360.60000113.3N97 S101N97-S99 PolarHBondContact ND2-OG 3.02Å; N97-S99 PolarHBondContact O-N 3.47Å; N97-S99 VanDerWaalsContact O-N 3.17Å; N97-S99 PolarHBondContact OD1-N 3.43Å; N97-S99 PolarHBondContact OD1-OG 3.44Å; S99-S101 PolarHBondContact O-N 3.2Å; S99-S101 VanDerWaalsContact O-N 3.08Å; S99-S101 PolarHBondContact OG-OG 3.24Å
100L89.9Confident94.3Very high110 Ų11058.7 Ų58.758%0.57630%0.296SS*.  trans59.616.9-179.4-43.2179.6000113.8N97 A98N97-L100 WeakPolarHBondContact O-CA 3.4Å; N97-L100 PolarHBondContact O-N 3.29Å; N97-L100 PolarHBondContact OD1-N 2.82Å; A98-L100 PolarHBondContact O-N 3.05Å
101S89.5Confident94.5Very high46 Ų4659.2 Ų59.232%0.32230%0.301SS..  trans-80.3137.2178.1-61.20000109.1R96 N97 S99 Y103R96-S101 WeakPolarHBondContact CA-O 3.12Å; N97-S101 PolarHBondContact N-O 3.45Å; N97-S101 WeakPolarHBondContact OD1-CB 3.28Å; N97-S101 PolarHBondContact OD1-N 3.33Å; N97-S101 VanDerWaalsContact OD1-N 3.08Å; N97-S101 PolarHBondContact OD1-O 3.03Å; S99-S101 PolarHBondContact O-N 3.2Å; S99-S101 VanDerWaalsContact O-N 3.08Å; S99-S101 PolarHBondContact OG-OG 3.24Å; S101-Y103 VanDerWaalsContact CB-CE2 3.42Å; S101-Y103 VanDerWaalsContact O-CD2 3.32Å; S101-Y103 WeakPolarHBondContact O-CD2 3.44Å; S101-Y103 WeakPolarHBondContact O-CE2 3.45Å
102I90.3Very high94.6Very high116 Ų11657.6 Ų57.660%0.59529%0.29SS*.EExtended strand (participates in β ladder)trans-105.2132.5-175.8-59.6173.6000109R96R96-I102 HydrophobicContact CG-CG1 4.38Å
103Y93.9Very high94.7Very high41 Ų4154.1 Ų54.116%0.16128%0.275CS..EExtended strand (participates in β ladder)trans-129.2151.4-176.4-59.6-102.1000109.2L35 T37 L94 Y95 S101L35-Y103 HydrophobicContact CD1-CD1 4.13Å; L35-Y103 HydrophobicContact CD2-CD1 4.25Å; L35-Y103 HydrophobicContact CG-CD1 4.49Å; T37-Y103 HydrophobicContact CG2-CD1 3.14Å; T37-Y103 HydrophobicContact CG2-CE1 3.5Å; T37-Y103 VanDerWaalsContact CG2-CE1 3.5Å; T37-Y103 HydrophobicContact CG2-CG 4.09Å; L94-Y103 VanDerWaalsContact CA-O 3.3Å; L94-Y103 WeakPolarHBondContact CA-O 3.3Å; Y95-Y103 HydrophobicContact CD1-CG 4.36Å; Y95-Y103 AromaticContact CD2-CD2 3.92Å; Y95-Y103 HydrophobicContact CD2-CD2 3.92Å; Y95-Y103 HydrophobicContact CD2-CG 4.38Å; Y95-Y103 HydrophobicContact CE1-CD1 4.28Å; Y95-Y103 HydrophobicContact CE1-CD2 4.18Å; Y95-Y103 AromaticContact CE1-CG 3.67Å; Y95-Y103 HydrophobicContact CE1-CG 3.67Å; Y95-Y103 HydrophobicContact CE2-CD1 4.43Å; Y95-Y103 AromaticContact CE2-CD2 3.33Å; Y95-Y103 HydrophobicContact CE2-CD2 3.33Å; Y95-Y103 AromaticContact CE2-CE2 3.9Å; Y95-Y103 HydrophobicContact CE2-CE2 3.9Å; Y95-Y103 AromaticContact CE2-CG 3.69Å; Y95-Y103 HydrophobicContact CE2-CG 3.69Å; Y95-Y103 VanDerWaalsContact CZ-CB 3.4Å; Y95-Y103 AromaticContact CZ-CD1 3.78Å; Y95-Y103 AromaticContact CZ-CD2 3.48Å; Y95-Y103 VanDerWaalsContact CZ-CD2 3.48Å; Y95-Y103 AromaticContact CZ-CG 3.28Å; Y95-Y103 PolarHBondContact N-O 3.02Å; Y95-Y103 PolarHBondContact O-N 2.93Å; Y95-Y103 VanDerWaalsContact OH-CD1 3.32Å; Y95-Y103 WeakPolarHBondContact OH-CD1 3.32Å; S101-Y103 VanDerWaalsContact CB-CE2 3.42Å; S101-Y103 VanDerWaalsContact O-CD2 3.32Å; S101-Y103 WeakPolarHBondContact O-CD2 3.44Å; S101-Y103 WeakPolarHBondContact O-CE2 3.45Å
104S94.8Very high94.6Very high24 Ų2458.3 Ų58.317%0.16829%0.294CS..EExtended strand (participates in β ladder)trans-132120171.6-178.60000109.5Y36 F92Y36-S104 PolarHBondContact N-O 3.41Å; Y36-S104 PolarHBondContact O-N 2.67Å; F92-S104 WeakPolarHBondContact CD1-OG 3.43Å
105I96.8Very high94.7Very high1 Ų160.6 Ų60.61%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-99.5113.7175.7-54169.9000107.4V33 A34 L35 L52 F65 I67 F92 L93 Y95 F107V33-I105 HydrophobicContact CB-CG2 3.85Å; V33-I105 HydrophobicContact CG1-CG2 4.19Å; V33-I105 HydrophobicContact CG2-CG2 4.31Å; A34-I105 CarbonylContact O-C 3.45Å; A34-I105 WeakPolarHBondContact O-CA 3.38Å; L35-I105 HydrophobicContact CD1-CG1 3.64Å; L52-I105 HydrophobicContact CD1-CD1 4.01Å; L52-I105 HydrophobicContact CD1-CG2 4.25Å; F65-I105 HydrophobicContact CE2-CD1 3.98Å; F65-I105 HydrophobicContact CZ-CD1 4.44Å; I67-I105 HydrophobicContact CD1-CD1 4.35Å; I67-I105 HydrophobicContact CD1-CG1 4.31Å; I67-I105 HydrophobicContact CD1-CG2 4.26Å; F92-I105 CarbonylContact C-O 3.57Å; F92-I105 VanDerWaalsContact CA-O 3.31Å; F92-I105 WeakPolarHBondContact CA-O 3.37Å; L93-I105 PolarHBondContact N-O 3.33Å; L93-I105 PolarHBondContact O-N 3.14Å; Y95-I105 HydrophobicContact CD1-CD1 4.05Å; Y95-I105 HydrophobicContact CD1-CG1 4.33Å; Y95-I105 HydrophobicContact CE1-CD1 3.87Å; Y95-I105 HydrophobicContact CE1-CG1 4.1Å; I105-F107 HydrophobicContact CB-CE2 3.82Å; I105-F107 HydrophobicContact CB-CZ 4.38Å; I105-F107 HydrophobicContact CG2-CD2 4.09Å; I105-F107 HydrophobicContact CG2-CE2 3.49Å; I105-F107 VanDerWaalsContact CG2-CE2 3.49Å; I105-F107 HydrophobicContact CG2-CZ 3.78Å; I105-F107 WeakPolarHBondContact O-CD2 3.38Å; I105-F107 WeakPolarHBondContact O-CE2 3.38Å
106W96.4Very high94.8Very high73 Ų7360.4 Ų60.428%0.27730%0.299SS..EExtended strand (participates in β ladder)trans-84.7135.9169.3-179.877.4000110.3V33 A34 Y36 F92 Y108V33-W106 CarbonylContact C-O 3.53Å; V33-W106 WeakPolarHBondContact CA-O 3.41Å; V33-W106 WeakPolarHBondContact CB-O 3.39Å; A34-W106 HydrophobicContact CB-CE3 4.29Å; A34-W106 PolarHBondContact N-O 3.39Å; A34-W106 PolarHBondContact O-N 3.07Å; Y36-W106 HydrophobicContact CD2-CB 4.28Å; Y36-W106 HydrophobicContact CE2-CB 3.69Å; F92-W106 HydrophobicContact CD1-CB 3.74Å; F92-W106 AromaticContact CD1-CD1 3.8Å; F92-W106 HydrophobicContact CD1-CG 4.19Å; F92-W106 HydrophobicContact CE1-CB 3.65Å; F92-W106 AromaticContact CE1-CD1 3.34Å; F92-W106 AromaticContact CE1-CG 3.83Å; F92-W106 HydrophobicContact CE1-CG 3.83Å; F92-W106 AromaticContact CZ-CD1 3.48Å; F92-W106 VanDerWaalsContact CZ-CD1 3.48Å; F92-W106 HydrophobicContact CZ-CG 4.35Å; W106-Y108 AromaticContact CH2-CD2 3.88Å; W106-Y108 HydrophobicContact CH2-CD2 3.88Å; W106-Y108 HydrophobicContact CH2-CG 4.48Å; W106-Y108 HydrophobicContact CZ3-CD2 4.39Å
107F97.5Very high95Very high2 Ų256.7 Ų56.71%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-110.4135.9177.9-67.4-106.9000110.3T30 V33 L52 P91 L93 I105 D109 D112 C113 I116T30-F107 HydrophobicContact CG2-CD1 4.3Å; T30-F107 HydrophobicContact CG2-CE1 3.97Å; V33-F107 HydrophobicContact CG1-CD1 3.58Å; V33-F107 HydrophobicContact CG1-CE1 3.78Å; V33-F107 HydrophobicContact CG1-CG 4.06Å; V33-F107 HydrophobicContact CG1-CZ 4.4Å; L52-F107 HydrophobicContact CD1-CE1 4.4Å; L52-F107 HydrophobicContact CD1-CZ 4.18Å; P91-F107 PolarHBondContact O-N 3.33Å; L93-F107 HydrophobicContact CB-CE2 3.66Å; L93-F107 HydrophobicContact CB-CZ 4.37Å; L93-F107 HydrophobicContact CD2-CE2 4.49Å; L93-F107 HydrophobicContact CD2-CZ 4.4Å; I105-F107 HydrophobicContact CB-CE2 3.82Å; I105-F107 HydrophobicContact CB-CZ 4.38Å; I105-F107 HydrophobicContact CG2-CD2 4.09Å; I105-F107 HydrophobicContact CG2-CE2 3.49Å; I105-F107 VanDerWaalsContact CG2-CE2 3.49Å; I105-F107 HydrophobicContact CG2-CZ 3.78Å; I105-F107 WeakPolarHBondContact O-CD2 3.38Å; I105-F107 WeakPolarHBondContact O-CE2 3.38Å; F107-D109 WeakPolarHBondContact CB-O 3.3Å; F107-D112 HydrophobicContact CD1-CB 4.07Å; F107-C113 HydrophobicContact CB-CB 3.81Å; F107-C113 HydrophobicContact CD1-CB 4.22Å; F107-C113 HydrophobicContact CD2-CB 3.73Å; F107-C113 VanDerWaalsContact CD2-SG 3.52Å; F107-C113 HydrophobicContact CE2-CB 4.38Å; F107-C113 HydrophobicContact CG-CB 3.65Å; F107-I116 HydrophobicContact CE1-CB 4.21Å; F107-I116 HydrophobicContact CE1-CG1 4.12Å; F107-I116 HydrophobicContact CE1-CG2 4.47Å; F107-I116 HydrophobicContact CZ-CB 4.33Å; F107-I116 HydrophobicContact CZ-CG2 4.23Å
108Y96.3Very high95.2Very high162 Ų16263 Ų6364%0.63531%0.314SS*.SBendtrans-65.2-42.1171-175.5-90000111.8Q32 W106Q32-Y108 WeakPolarHBondContact O-CB 3.47Å; Q32-Y108 PolarHBondContact O-N 3.06Å; W106-Y108 AromaticContact CH2-CD2 3.88Å; W106-Y108 HydrophobicContact CH2-CD2 3.88Å; W106-Y108 HydrophobicContact CH2-CG 4.48Å; W106-Y108 HydrophobicContact CZ3-CD2 4.39Å
109D96.1Very high95.6Very high32 Ų3261.8 Ų61.817%0.17130%0.299CS..SBendtrans-101.5119.6173.2-170.7-13.6000110.7M1 F107 N111 D112 C113M1-D109 HydrophobicContact CE-CB 3.96Å; M1-D109 WeakPolarHBondContact CE-OD2 3.45Å; F107-D109 WeakPolarHBondContact CB-O 3.3Å; D109-N111 PolarHBondContact O-N 3.42Å; D109-N111 VanDerWaalsContact OD1-CB 3.32Å; D109-N111 WeakPolarHBondContact OD1-CB 3.46Å; D109-N111 PolarHBondContact OD1-N 3.11Å; D109-N111 PolarHBondContact OD1-ND2 3.23Å; D109-D112 HydrophobicContact CB-CB 4.1Å; D109-D112 WeakPolarHBondContact O-CB 3.49Å; D109-D112 PolarHBondContact O-N 2.76Å; D109-D112 VanDerWaalsContact O-N 3.17Å; D109-C113 PolarHBondContact O-N 3.11Å; D109-C113 VanDerWaalsContact O-N 3.11Å
110K95.2Very high95.9Very high126 Ų12658.1 Ų58.155%0.54827%0.273SS..Hα-helixtrans-64.2-27.2176.168.4175.7-176173.40113.4D112 C113 H114K110-D112 VanDerWaalsContact C-N 3.34Å; K110-C113 VanDerWaalsContact O-CB 3.3Å; K110-C113 WeakPolarHBondContact O-CB 3.14Å; K110-C113 PolarHBondContact O-N 3.42Å; K110-H114 PolarHBondContact O-N 3.27Å
111N96.6Very high96.2Very high99 Ų9955.5 Ų55.553%0.52927%0.267SS..Hα-helixtrans-69.5-36.6175.5-56.3-57.4000110.8D109 R115D109-N111 PolarHBondContact O-N 3.42Å; D109-N111 VanDerWaalsContact OD1-CB 3.32Å; D109-N111 WeakPolarHBondContact OD1-CB 3.46Å; D109-N111 PolarHBondContact OD1-N 3.11Å; D109-N111 PolarHBondContact OD1-ND2 3.23Å; N111-R115 VanDerWaalsContact O-CB 3.3Å; N111-R115 WeakPolarHBondContact O-CB 3.4Å; N111-R115 PolarHBondContact O-N 3.29Å
112D97.3Very high96.6Very high11 Ų1157.3 Ų57.36%0.05927%0.273CS..Hα-helixtrans-63-44.3170.8-78-5.5000110.2T30 G31 F107 D109 K110 H114 R115 I116T30-D112 VanDerWaalsContact CB-OD2 3.31Å; T30-D112 WeakPolarHBondContact CB-OD2 3.32Å; T30-D112 HydrophobicContact CG2-CB 3.71Å; G31-D112 PolarHBondContact N-OD2 3.03Å; F107-D112 HydrophobicContact CD1-CB 4.07Å; D109-D112 HydrophobicContact CB-CB 4.1Å; D109-D112 WeakPolarHBondContact O-CB 3.49Å; D109-D112 PolarHBondContact O-N 2.76Å; D109-D112 VanDerWaalsContact O-N 3.17Å; K110-D112 VanDerWaalsContact C-N 3.34Å; D112-H114 PolarHBondContact O-N 3.33Å; D112-R115 PolarHBondContact O-N 3.42Å; D112-R115 IonicContact OD1-CZ 3.96Å; D112-R115 IonicContact OD1-NH1 2.63Å; D112-R115 PolarHBondContact OD1-NH1 2.92Å; D112-R115 IonicContact OD1-NH2 3.21Å; D112-R115 PolarHBondContact OD1-NH2 2.98Å; D112-I116 WeakPolarHBondContact O-CB 3.3Å; D112-I116 WeakPolarHBondContact O-CG1 3.39Å; D112-I116 PolarHBondContact O-N 3.4Å
113C97.6Very high96.9Very high0 Ų052.1 Ų52.10%025%0.247CC..Hα-helixtrans-54.2-52.3176.2-167.90000111.7L88 F107 D109 K110 A117L88-C113 WeakPolarHBondContact CD1-SG 3.25Å; F107-C113 HydrophobicContact CB-CB 3.81Å; F107-C113 HydrophobicContact CD1-CB 4.22Å; F107-C113 HydrophobicContact CD2-CB 3.73Å; F107-C113 VanDerWaalsContact CD2-SG 3.52Å; F107-C113 HydrophobicContact CE2-CB 4.38Å; F107-C113 HydrophobicContact CG-CB 3.65Å; D109-C113 PolarHBondContact O-N 3.11Å; D109-C113 VanDerWaalsContact O-N 3.11Å; K110-C113 VanDerWaalsContact O-CB 3.3Å; K110-C113 WeakPolarHBondContact O-CB 3.14Å; K110-C113 PolarHBondContact O-N 3.42Å; C113-A117 VanDerWaalsContact O-CB 3.22Å; C113-A117 WeakPolarHBondContact O-CB 3.47Å; C113-A117 PolarHBondContact O-N 3.46Å
114H97.1Very high97Very high89 Ų8951.1 Ų51.141%0.41225%0.245SC..Hα-helixtrans-60.6-47177.4-98120.8000113.3E90 K110 D112 A117 K118E90-H114 IonicContact OE1-CE1 3.74Å; E90-H114 PolarHBondContact OE1-CE1 3.36Å; E90-H114 IonicContact OE1-CG 3.87Å; E90-H114 IonicContact OE1-ND1 3.15Å; E90-H114 PolarHBondContact OE1-ND1 2.95Å; E90-H114 IonicContact OE2-CE1 3.21Å; E90-H114 PolarHBondContact OE2-CE1 3.04Å; E90-H114 IonicContact OE2-ND1 3.41Å; E90-H114 IonicContact OE2-NE2 3.54Å; K110-H114 PolarHBondContact O-N 3.27Å; D112-H114 PolarHBondContact O-N 3.33Å; H114-A117 PolarHBondContact O-N 3.11Å; H114-K118 WeakPolarHBondContact O-CB 3.45Å; H114-K118 PolarHBondContact O-N 3.49Å
115R98Very high97.1Very high99 Ų9956.5 Ų56.537%0.37427%0.268SS..Hα-helixtrans-62.5-46.6-177.9-174.4178.368.8-105.92.4111.1D28 L29 N111 D112 K118 L119D28-R115 IonicContact OD1-CZ 3.59Å; D28-R115 IonicContact OD1-NE 3.86Å; D28-R115 PolarHBondContact OD1-NE 3.43Å; D28-R115 IonicContact OD1-NH2 2.82Å; D28-R115 PolarHBondContact OD1-NH2 3.41Å; D28-R115 VanDerWaalsContact OD2-CD 3.22Å; D28-R115 WeakPolarHBondContact OD2-CD 3.34Å; D28-R115 WeakPolarHBondContact OD2-CG 3.2Å; D28-R115 IonicContact OD2-CZ 3.61Å; D28-R115 IonicContact OD2-NE 3.57Å; D28-R115 PolarHBondContact OD2-NE 3.45Å; L29-R115 PolarHBondContact O-NH2 3.12Å; N111-R115 VanDerWaalsContact O-CB 3.3Å; N111-R115 WeakPolarHBondContact O-CB 3.4Å; N111-R115 PolarHBondContact O-N 3.29Å; D112-R115 PolarHBondContact O-N 3.42Å; D112-R115 IonicContact OD1-CZ 3.96Å; D112-R115 IonicContact OD1-NH1 2.63Å; D112-R115 PolarHBondContact OD1-NH1 2.92Å; D112-R115 IonicContact OD1-NH2 3.21Å; D112-R115 PolarHBondContact OD1-NH2 2.98Å; R115-K118 PolarHBondContact O-N 2.95Å; R115-L119 PolarHBondContact O-N 3.11Å
116I98.2Very high97Very high0 Ų059.4 Ų59.40%028%0.281CS..Hα-helixtrans-66.9-44177.6-65.5-55000111.3D28 T30 L52 V54 L93 F107 D112 K118 L119 M120D28-I116 HydrophobicContact CB-CD1 3.8Å; T30-I116 HydrophobicContact CG2-CD1 3.71Å; T30-I116 HydrophobicContact CG2-CG1 3.25Å; L52-I116 HydrophobicContact CD2-CD1 4.35Å; L52-I116 HydrophobicContact CD2-CG1 4.48Å; L52-I116 HydrophobicContact CD2-CG2 4.26Å; V54-I116 HydrophobicContact CG2-CD1 3.92Å; V54-I116 HydrophobicContact CG2-CG2 4.41Å; L93-I116 HydrophobicContact CD2-CG2 4.18Å; F107-I116 HydrophobicContact CE1-CB 4.21Å; F107-I116 HydrophobicContact CE1-CG1 4.12Å; F107-I116 HydrophobicContact CE1-CG2 4.47Å; F107-I116 HydrophobicContact CZ-CB 4.33Å; F107-I116 HydrophobicContact CZ-CG2 4.23Å; D112-I116 WeakPolarHBondContact O-CB 3.3Å; D112-I116 WeakPolarHBondContact O-CG1 3.39Å; D112-I116 PolarHBondContact O-N 3.4Å; I116-K118 VanDerWaalsContact C-N 3.27Å; I116-K118 PolarHBondContact O-N 3.22Å; I116-L119 PolarHBondContact O-N 3.01Å; I116-M120 HydrophobicContact CG2-CE 3.98Å; I116-M120 HydrophobicContact CG2-CG 4Å; I116-M120 WeakPolarHBondContact O-CB 3.08Å; I116-M120 VanDerWaalsContact O-CG 3.24Å; I116-M120 WeakPolarHBondContact O-CG 3.17Å; I116-M120 PolarHBondContact O-N 3.02Å
117A97.9Very high96.9Very high11 Ų1156.2 Ų56.29%0.09127%0.269CS..Hα-helixtrans-57.7-42.5178.200000111.9L88 L93 C113 H114 M120 A121L88-A117 HydrophobicContact CB-CB 4.36Å; L88-A117 HydrophobicContact CD1-CB 3.95Å; L88-A117 HydrophobicContact CD2-CB 4.11Å; L88-A117 HydrophobicContact CG-CB 4.37Å; L93-A117 HydrophobicContact CD1-CB 3.78Å; L93-A117 HydrophobicContact CD2-CB 4.35Å; C113-A117 VanDerWaalsContact O-CB 3.22Å; C113-A117 WeakPolarHBondContact O-CB 3.47Å; C113-A117 PolarHBondContact O-N 3.46Å; H114-A117 PolarHBondContact O-N 3.11Å; A117-M120 PolarHBondContact O-N 3.07Å; A117-A121 PolarHBondContact O-N 3.03Å
118K98Very high96.8Very high145 Ų14558 Ų5863%0.6328%0.281SS*.Hα-helixtrans-62.6-50174.7-175.4179.1178.3-177.80111.8H114 R115 I116 M120 A121 D122H114-K118 WeakPolarHBondContact O-CB 3.45Å; H114-K118 PolarHBondContact O-N 3.49Å; R115-K118 PolarHBondContact O-N 2.95Å; I116-K118 VanDerWaalsContact C-N 3.27Å; I116-K118 PolarHBondContact O-N 3.22Å; K118-M120 VanDerWaalsContact C-N 3.28Å; K118-M120 PolarHBondContact O-N 3.09Å; K118-A121 PolarHBondContact O-N 3.11Å; K118-D122 PolarHBondContact O-N 3.5Å; K118-D122 VanDerWaalsContact O-N 3.12Å
119L98.2Very high96.7Very high32 Ų3256.2 Ų56.217%0.16827%0.273CS..Hα-helixtrans-56.7-44.3177.5174.661.3000111.5A27 D28 V54 R115 I116 D122 V123A27-L119 HydrophobicContact CB-CD2 4.25Å; D28-L119 HydrophobicContact CB-CD2 3.57Å; V54-L119 HydrophobicContact CB-CD2 3.96Å; V54-L119 HydrophobicContact CG1-CD2 3.82Å; V54-L119 HydrophobicContact CG1-CG 4.41Å; V54-L119 HydrophobicContact CG2-CD2 4.17Å; R115-L119 PolarHBondContact O-N 3.11Å; I116-L119 PolarHBondContact O-N 3.01Å; L119-D122 PolarHBondContact O-N 2.82Å; L119-V123 HydrophobicContact CD1-CG1 4.04Å; L119-V123 WeakPolarHBondContact O-CG2 3.32Å; L119-V123 PolarHBondContact O-N 2.69Å
120M97.7Very high96.6Very high1 Ų159 Ų591%0.00528%0.281CS..Hα-helixtrans-61.1-43.3178.9-72.4-56.4-176.900112.5V54 F65 V80 F86 I116 A117 K118 V123 V124V54-M120 HydrophobicContact CB-CE 4.49Å; V54-M120 HydrophobicContact CG1-CE 4.22Å; V54-M120 HydrophobicContact CG2-CE 3.49Å; V54-M120 VanDerWaalsContact CG2-CE 3.49Å; F65-M120 HydrophobicContact CB-CE 3.68Å; F65-M120 HydrophobicContact CD1-CE 3.43Å; F65-M120 VanDerWaalsContact CD1-CE 3.43Å; F65-M120 HydrophobicContact CD1-SD 4.14Å; F65-M120 HydrophobicContact CD2-CE 4.34Å; F65-M120 HydrophobicContact CE1-CE 4.1Å; F65-M120 HydrophobicContact CG-CE 3.57Å; V80-M120 HydrophobicContact CG2-SD 4.15Å; F86-M120 HydrophobicContact CD1-CB 4.41Å; F86-M120 HydrophobicContact CD2-CB 3.94Å; F86-M120 HydrophobicContact CE1-CB 4.16Å; F86-M120 HydrophobicContact CE1-CG 4Å; F86-M120 HydrophobicContact CE2-CB 3.65Å; F86-M120 HydrophobicContact CE2-CG 4.12Å; F86-M120 HydrophobicContact CE2-SD 4.34Å; F86-M120 HydrophobicContact CG-CB 4.29Å; F86-M120 HydrophobicContact CZ-CB 3.74Å; F86-M120 HydrophobicContact CZ-CG 3.69Å; F86-M120 HydrophobicContact CZ-SD 3.83Å; I116-M120 HydrophobicContact CG2-CE 3.98Å; I116-M120 HydrophobicContact CG2-CG 4Å; I116-M120 WeakPolarHBondContact O-CB 3.08Å; I116-M120 VanDerWaalsContact O-CG 3.24Å; I116-M120 WeakPolarHBondContact O-CG 3.17Å; I116-M120 PolarHBondContact O-N 3.02Å; A117-M120 PolarHBondContact O-N 3.07Å; K118-M120 VanDerWaalsContact C-N 3.28Å; K118-M120 PolarHBondContact O-N 3.09Å; M120-V123 VanDerWaalsContact O-CG2 3.28Å; M120-V123 WeakPolarHBondContact O-CG2 3.41Å; M120-V123 PolarHBondContact O-N 2.74Å; M120-V123 HydrophobicContact SD-CG2 4.32Å; M120-V124 WeakPolarHBondContact O-CB 3.37Å; M120-V124 VanDerWaalsContact O-CG2 3.29Å; M120-V124 WeakPolarHBondContact O-CG2 3.31Å; M120-V124 PolarHBondContact O-N 3.38Å
121A96.6Very high96.3Very high55 Ų5555 Ų5546%0.45527%0.269SS..Hα-helixtrans-59.7-47.2175.600000111.4A117 K118 V123 V124 E125A117-A121 PolarHBondContact O-N 3.03Å; K118-A121 PolarHBondContact O-N 3.11Å; A121-V123 PolarHBondContact O-N 3.25Å; A121-V124 PolarHBondContact O-N 2.95Å; A121-E125 PolarHBondContact O-N 2.89Å
122D97.3Very high96Very high84 Ų8455.6 Ų55.645%0.44927%0.268SS..Hα-helixtrans-61-43.3179.8-63.2-17.2000111.5K118 L119 E126K118-D122 PolarHBondContact O-N 3.5Å; K118-D122 VanDerWaalsContact O-N 3.12Å; L119-D122 PolarHBondContact O-N 2.82Å; D122-E126 WeakPolarHBondContact O-CB 3.27Å; D122-E126 PolarHBondContact O-N 2.87Å; D122-E126 VanDerWaalsContact O-N 3.12Å
123V96.7Very high95.7Very high8 Ų859.2 Ų59.25%0.04829%0.285CS..Hα-helixtrans-73.7-32.1-178.4-63.30000113.2H63 V80 L119 M120 A121 E126 E127H63-V123 HydrophobicContact CB-CB 4.21Å; H63-V123 HydrophobicContact CB-CG1 4.45Å; H63-V123 HydrophobicContact CB-CG2 4.44Å; V80-V123 HydrophobicContact CG1-CB 4.36Å; V80-V123 HydrophobicContact CG1-CG2 3.67Å; V80-V123 HydrophobicContact CG2-CG2 4.47Å; L119-V123 HydrophobicContact CD1-CG1 4.04Å; L119-V123 WeakPolarHBondContact O-CG2 3.32Å; L119-V123 PolarHBondContact O-N 2.69Å; M120-V123 VanDerWaalsContact O-CG2 3.28Å; M120-V123 WeakPolarHBondContact O-CG2 3.41Å; M120-V123 PolarHBondContact O-N 2.74Å; M120-V123 HydrophobicContact SD-CG2 4.32Å; A121-V123 PolarHBondContact O-N 3.25Å; V123-E126 PolarHBondContact O-N 3.11Å; V123-E127 WeakPolarHBondContact O-CG 3.32Å; V123-E127 PolarHBondContact O-N 2.86Å; V123-E127 VanDerWaalsContact O-N 3.07Å
124V96.9Very high95.1Very high20 Ų2061.7 Ų61.712%0.12131%0.305CS..Hα-helixtrans-68-42174.1169.10000110.9V80 L84 F86 M120 A121 E126 E127 T128V80-V124 HydrophobicContact CG1-CG2 3.67Å; L84-V124 HydrophobicContact CB-CG2 4.17Å; F86-V124 HydrophobicContact CD2-CG2 4.13Å; F86-V124 HydrophobicContact CE2-CG2 3.8Å; M120-V124 WeakPolarHBondContact O-CB 3.37Å; M120-V124 VanDerWaalsContact O-CG2 3.29Å; M120-V124 WeakPolarHBondContact O-CG2 3.31Å; M120-V124 PolarHBondContact O-N 3.38Å; A121-V124 PolarHBondContact O-N 2.95Å; V124-E126 VanDerWaalsContact C-N 3.28Å; V124-E126 PolarHBondContact O-N 3.17Å; V124-E127 PolarHBondContact O-N 2.86Å; V124-T128 WeakPolarHBondContact O-CB 3.18Å; V124-T128 PolarHBondContact O-N 3.28Å; V124-T128 PolarHBondContact O-OG1 2.92Å
125E96.3Very high94.5Very high137 Ų13759.8 Ų59.864%0.6431%0.305SS*.Hα-helixtrans-58.9-43.7174.4-176178.2-176.300110.8A121 E127 T128 R129A121-E125 PolarHBondContact O-N 2.89Å; E125-E127 PolarHBondContact O-N 2.76Å; E125-T128 WeakPolarHBondContact O-CB 3.43Å; E125-T128 PolarHBondContact O-N 2.94Å; E125-T128 VanDerWaalsContact O-N 3.16Å; E125-R129 PolarHBondContact O-N 3.03Å
126E95.7Very high93.5Very high62 Ų6262.6 Ų62.629%0.2932%0.316SS..Hα-helixtrans-66.9-38.4-178.7-167.864.8-179.500112.7D122 V123 V124 T128 R129 R130D122-E126 WeakPolarHBondContact O-CB 3.27Å; D122-E126 PolarHBondContact O-N 2.87Å; D122-E126 VanDerWaalsContact O-N 3.12Å; V123-E126 PolarHBondContact O-N 3.11Å; V124-E126 VanDerWaalsContact C-N 3.28Å; V124-E126 PolarHBondContact O-N 3.17Å; E126-T128 VanDerWaalsContact C-N 3.34Å; E126-R129 PolarHBondContact O-N 2.92Å; E126-R129 IonicContact OE1-CZ 3.69Å; E126-R129 IonicContact OE1-NE 3.03Å; E126-R129 IonicContact OE1-NH2 2.71Å; E126-R129 PolarHBondContact OE1-NH2 3.1Å; E126-R129 IonicContact OE2-CZ 3.93Å; E126-R129 IonicContact OE2-NE 3.97Å; E126-R129 PolarHBondContact OE2-NE 3.19Å; E126-R129 IonicContact OE2-NH2 3.47Å; E126-R129 PolarHBondContact OE2-NH2 2.97Å; E126-R130 VanDerWaalsContact O-CG 3.25Å; E126-R130 WeakPolarHBondContact O-CG 3.46Å; E126-R130 PolarHBondContact O-N 3.42Å; E126-R130 IonicContact OE1-NE 2.93Å; E126-R130 IonicContact OE1-NH2 3.54Å
127E94.3Very high92.4Very high5 Ų567.5 Ų67.52%0.02334%0.342CS..Hα-helixtrans-65.6-36.6171.2-71.8-64.7148.500112.2Y62 H63 V123 V124 E125 R130 S131Y62-E127 WeakPolarHBondContact CA-OE1 3.5Å; Y62-E127 VanDerWaalsContact CB-OE1 3.28Å; Y62-E127 WeakPolarHBondContact CB-OE1 3.48Å; Y62-E127 WeakPolarHBondContact CD2-OE1 3.49Å; Y62-E127 PolarHBondContact N-OE1 2.86Å; H63-E127 IonicContact ND1-OE1 2.69Å; V123-E127 WeakPolarHBondContact O-CG 3.32Å; V123-E127 PolarHBondContact O-N 2.86Å; V123-E127 VanDerWaalsContact O-N 3.07Å; V124-E127 PolarHBondContact O-N 2.86Å; E125-E127 PolarHBondContact O-N 2.76Å; E127-R130 PolarHBondContact O-N 3.46Å; E127-S131 WeakPolarHBondContact O-CB 3.31Å; E127-S131 PolarHBondContact O-N 3.26Å; E127-S131 PolarHBondContact O-OG 3.31Å
128T94.2Very high90.9Very high41 Ų4176 Ų7625%0.25238%0.376SS..Hα-helixtrans-63.8-47.3175.7-58.60000110.9K82 V124 E125 E126 R130 S131 Q132K82-T128 WeakPolarHBondContact CB-OG1 3.32Å; V124-T128 WeakPolarHBondContact O-CB 3.18Å; V124-T128 PolarHBondContact O-N 3.28Å; V124-T128 PolarHBondContact O-OG1 2.92Å; E125-T128 WeakPolarHBondContact O-CB 3.43Å; E125-T128 PolarHBondContact O-N 2.94Å; E125-T128 VanDerWaalsContact O-N 3.16Å; E126-T128 VanDerWaalsContact C-N 3.34Å; T128-R130 PolarHBondContact O-N 2.96Å; T128-S131 WeakPolarHBondContact O-CB 3.32Å; T128-S131 PolarHBondContact O-N 3.27Å; T128-Q132 WeakPolarHBondContact O-CG 3.32Å; T128-Q132 PolarHBondContact O-N 2.86Å
129R94.9Very high89Confident123 Ų12376.4 Ų76.446%0.46438%0.381SS..Hα-helixtrans-60.7-45177.1-170.8-172.566.373.7-2.5111.9E125 E126 S131 Q132 Q133E125-R129 PolarHBondContact O-N 3.03Å; E126-R129 PolarHBondContact O-N 2.92Å; E126-R129 IonicContact OE1-CZ 3.69Å; E126-R129 IonicContact OE1-NE 3.03Å; E126-R129 IonicContact OE1-NH2 2.71Å; E126-R129 PolarHBondContact OE1-NH2 3.1Å; E126-R129 IonicContact OE2-CZ 3.93Å; E126-R129 IonicContact OE2-NE 3.97Å; E126-R129 PolarHBondContact OE2-NE 3.19Å; E126-R129 IonicContact OE2-NH2 3.47Å; E126-R129 PolarHBondContact OE2-NH2 2.97Å; R129-S131 VanDerWaalsContact C-N 3.33Å; R129-S131 PolarHBondContact O-N 2.91Å; R129-Q132 PolarHBondContact O-N 2.95Å; R129-Q133 PolarHBondContact O-N 3.03Å
130R93.5Very high86.5Confident92 Ų9278.9 Ų78.935%0.34740%0.401SS..Hα-helixtrans-60.2-42.9176.1-73.3168.4-171.6-99.6-8111.8E126 E127 T128 Q132 Q133 A134E126-R130 VanDerWaalsContact O-CG 3.25Å; E126-R130 WeakPolarHBondContact O-CG 3.46Å; E126-R130 PolarHBondContact O-N 3.42Å; E126-R130 IonicContact OE1-NE 2.93Å; E126-R130 IonicContact OE1-NH2 3.54Å; E127-R130 PolarHBondContact O-N 3.46Å; T128-R130 PolarHBondContact O-N 2.96Å; R130-Q132 PolarHBondContact O-N 3.15Å; R130-Q133 PolarHBondContact O-N 3.22Å; R130-A134 WeakPolarHBondContact O-CB 3.45Å; R130-A134 PolarHBondContact O-N 2.99Å
131S90.3Very high84.3Confident42 Ų4284.4 Ų84.429%0.29444%0.437SS..Hα-helixtrans-63.7-39.8178.1-62.30000112.5E127 T128 R129 A135E127-S131 WeakPolarHBondContact O-CB 3.31Å; E127-S131 PolarHBondContact O-N 3.26Å; E127-S131 PolarHBondContact O-OG 3.31Å; T128-S131 WeakPolarHBondContact O-CB 3.32Å; T128-S131 PolarHBondContact O-N 3.27Å; R129-S131 VanDerWaalsContact C-N 3.33Å; R129-S131 PolarHBondContact O-N 2.91Å; S131-A135 PolarHBondContact O-N 3.14Å
132Q90.5Very high82.2Confident110 Ų11087.4 Ų87.451%0.51446%0.455SS..Hα-helixtrans-67.8-40.8176.6-70.5176.26.500112.3T128 R129 R130 A135 R136T128-Q132 WeakPolarHBondContact O-CG 3.32Å; T128-Q132 PolarHBondContact O-N 2.86Å; R129-Q132 PolarHBondContact O-N 2.95Å; R130-Q132 PolarHBondContact O-N 3.15Å; Q132-A135 PolarHBondContact O-N 3.43Å; Q132-R136 WeakPolarHBondContact O-CG 3.37Å; Q132-R136 PolarHBondContact O-N 3.35Å; Q132-R136 VanDerWaalsContact O-N 3.07Å
133Q89.4Confident80Confident88 Ų8893 Ų9341%0.41148%0.478SS..Hα-helixtrans-63.3-46.4176.7-172.361.339.700111.3R129 R130 A135 R136 D137R129-Q133 PolarHBondContact O-N 3.03Å; R130-Q133 PolarHBondContact O-N 3.22Å; Q133-A135 PolarHBondContact O-N 3.43Å; Q133-R136 PolarHBondContact O-N 2.95Å; Q133-D137 PolarHBondContact NE2-OD1 2.76Å; Q133-D137 PolarHBondContact O-N 3.42Å
134A85.5Confident77.3Confident51 Ų5196.9 Ų96.942%0.42151%0.511SS..Hα-helixtrans-61.1-29.7177.300000113.1R130 K138R130-A134 WeakPolarHBondContact O-CB 3.45Å; R130-A134 PolarHBondContact O-N 2.99Å; A134-K138 WeakPolarHBondContact O-CG 3.43Å
135A83.6Confident75.1Confident49 Ų49104.2 Ų104.241%0.40555%0.55SS..Hα-helixtrans-73.7-37.9173.700000112.5S131 Q132 Q133 K138 Q139S131-A135 PolarHBondContact O-N 3.14Å; Q132-A135 PolarHBondContact O-N 3.43Å; Q133-A135 PolarHBondContact O-N 3.43Å; A135-K138 PolarHBondContact O-N 2.86Å; A135-Q139 WeakPolarHBondContact O-CG 3.33Å; A135-Q139 PolarHBondContact O-N 3.48Å
136R78.8Confident72.8Confident159 Ų159101.6 Ų101.660%0.656%0.559SS**Hα-helixtrans-69.8-39.3177.5-72.4178.7177.5-175.10.4112.9Q132 Q133 K138 Q139 S140Q132-R136 WeakPolarHBondContact O-CG 3.37Å; Q132-R136 PolarHBondContact O-N 3.35Å; Q132-R136 VanDerWaalsContact O-N 3.07Å; Q133-R136 PolarHBondContact O-N 2.95Å; R136-K138 PolarHBondContact O-N 2.91Å; R136-Q139 PolarHBondContact O-N 3.01Å; R136-S140 PolarHBondContact O-N 2.59Å; R136-S140 PolarHBondContact O-OG 2.83Å
137D75.1Confident70.2Confident103 Ų103104.4 Ų104.455%0.55158%0.584SS**Hα-helixtrans-64.5-31178.1-64.9-20000111.3Q133 Q139Q133-D137 PolarHBondContact NE2-OD1 2.76Å; Q133-D137 PolarHBondContact O-N 3.42Å; D137-Q139 VanDerWaalsContact C-N 3.32Å
138K66.1Low68Low188 Ų188109.8 Ų109.882%0.81762%0.622SS**THydrogen-bonded Turntrans-76-16.5172.7-69.8-178.8-177.8-172.40114.1A134 A135 R136A134-K138 WeakPolarHBondContact O-CG 3.43Å; A135-K138 PolarHBondContact O-N 2.86Å; R136-K138 PolarHBondContact O-N 2.91Å
139Q57.2Low65.9Low155 Ų155114.7 Ų114.772%0.72465%0.647SS**THydrogen-bonded Turntrans-102.5-0.8-177.9-74.2179.8-12.500113.6A135 R136 D137 P141A135-Q139 WeakPolarHBondContact O-CG 3.33Å; A135-Q139 PolarHBondContact O-N 3.48Å; R136-Q139 PolarHBondContact O-N 3.01Å; D137-Q139 VanDerWaalsContact C-N 3.32Å; Q139-P141 WeakPolarHBondContact O-CD 3.45Å
140S44.9Very low63.7Low84 Ų84117.5 Ų117.559%0.58767%0.665SS**  trans-91.4105.8176.7-59.70000110.3R136 S142R136-S140 PolarHBondContact O-N 2.59Å; R136-S140 PolarHBondContact O-OG 2.83Å; S140-S142 PolarHBondContact O-N 3.06Å
141P52.1Low62.2Low117 Ų117123 Ų12376%0.7669%0.686SS**  trans-72.8117.516330.5-29000107Q139 Q143Q139-P141 WeakPolarHBondContact O-CD 3.45Å; P141-Q143 PolarHBondContact O-N 3.06Å
142S52.8Low60.7Low118 Ų118126.9 Ų126.983%0.82571%0.71SS**  trans-60.899.8172.134.80000110S140 A144S140-S142 PolarHBondContact O-N 3.06Å; S142-A144 PolarHBondContact O-N 2.86Å
143Q51Low59.7Low200 Ų200127.9 Ų127.994%0.93572%0.717SS**  trans-72.7106.3145-76.3-169.311.800107.3P141P141-Q143 PolarHBondContact O-N 3.06Å
144A40.9Very low59.3Low90 Ų90127.9 Ų127.974%0.74472%0.72SS**  trans-132.5129.3156.700000107.7S142S142-A144 PolarHBondContact O-N 2.86Å
145N50.4Low59.5Low175 Ų175130.6 Ų130.694%0.93673%0.726SS**  trans-58.2134.6-171.5-73-43.1000113.9
146G47.3Very low59.6Low81 Ų81134.3 Ų134.384%0.83574%0.739SS**  trans9759.9143.400000119.2
147C40.5Very low60.1Low121 Ų121130.9 Ų130.982%0.81873%0.73SS**  trans-166.1112139-167.30000108.7D149C147-D149 PolarHBondContact O-N 2.98Å
148S49.8Very low60.7Low119 Ų119131 Ų13183%0.83273%0.728SS**  trans-75.688.6-178.8520000111.2
149D50.2Low61.8Low144 Ų144127.2 Ų127.277%0.7772%0.716SS**  trans-168.690.9137-120.4-19.1000109.2C147C147-D149 PolarHBondContact O-N 2.98Å
150H46.8Very low63.3Low181 Ų181122.8 Ų122.884%0.83870%0.703SS**  trans-121.181.1175.5-96.1-7.6000109.4
151R63Low65.4Low209 Ų209126.2 Ų126.279%0.78970%0.703SS**  trans-69.4136.1147.8-68.8-171.7-174.2-175.22.4107.4I153R151-I153 PolarHBondContact O-N 2.82Å
152P58Low67.1Low122 Ų122123.3 Ų123.379%0.79269%0.688SS**  trans-55.7126.9170.923.8-31.3000108.2D154P152-D154 PolarHBondContact O-N 2.96Å
153I69.1Low68.8Low132 Ų132123 Ų12368%0.67767%0.672SS**  trans-69.9103-179.9-61.4168000107.1R151 I155 M158R151-I153 PolarHBondContact O-N 2.82Å; I153-I155 PolarHBondContact O-N 2.79Å; I153-M158 HydrophobicContact CG2-SD 4.36Å
154D82.9Confident70.7Confident87 Ų87117.4 Ų117.447%0.46565%0.649SS.*  trans-77.1105.6171.6-174-11.4000108.6P152 L156 E157 M158P152-D154 PolarHBondContact O-N 2.96Å; D154-L156 PolarHBondContact O-N 3.05Å; D154-L156 VanDerWaalsContact OD1-CB 3.25Å; D154-L156 WeakPolarHBondContact OD1-CB 3.35Å; D154-L156 PolarHBondContact OD1-N 2.91Å; D154-E157 HydrophobicContact CB-CB 3.82Å; D154-E157 WeakPolarHBondContact O-CB 3.49Å; D154-E157 PolarHBondContact O-N 2.87Å; D154-E157 VanDerWaalsContact O-N 3.15Å; D154-E157 PolarHBondContact OD1-N 3.24Å; D154-M158 PolarHBondContact O-N 3.08Å
155I89Confident73Confident108 Ų108118.5 Ų118.555%0.55464%0.639SS**Hα-helixtrans-58.8-34-180-60.8170.7000110.3I153 M158 L159I153-I155 PolarHBondContact O-N 2.79Å; I155-M158 PolarHBondContact O-N 3.49Å; I155-L159 HydrophobicContact CG2-CD1 3.82Å; I155-L159 HydrophobicContact CG2-CG 4.22Å; I155-L159 WeakPolarHBondContact O-CB 3.43Å; I155-L159 WeakPolarHBondContact O-CG 3.42Å; I155-L159 PolarHBondContact O-N 2.84Å
156L85.8Confident74.7Confident128 Ų128117.2 Ų117.267%0.6762%0.622SS**Hα-helixtrans-66.3-45.5178.6-132.278.5000110.4D154 M158 L159 S160D154-L156 PolarHBondContact O-N 3.05Å; D154-L156 VanDerWaalsContact OD1-CB 3.25Å; D154-L156 WeakPolarHBondContact OD1-CB 3.35Å; D154-L156 PolarHBondContact OD1-N 2.91Å; L156-M158 VanDerWaalsContact C-N 3.33Å; L156-M158 PolarHBondContact O-N 2.85Å; L156-L159 PolarHBondContact O-N 3.17Å; L156-S160 WeakPolarHBondContact O-CB 3.37Å; L156-S160 PolarHBondContact O-N 2.88Å; L156-S160 PolarHBondContact O-OG 3.47Å
157E88Confident76.6Confident87 Ų87117.5 Ų117.541%0.40760%0.601SS.*Hα-helixtrans-61.6-41.6176-168.8-174.3172.700111.6D154 S160 R161D154-E157 HydrophobicContact CB-CB 3.82Å; D154-E157 WeakPolarHBondContact O-CB 3.49Å; D154-E157 PolarHBondContact O-N 2.87Å; D154-E157 VanDerWaalsContact O-N 3.15Å; D154-E157 PolarHBondContact OD1-N 3.24Å; E157-S160 PolarHBondContact O-N 3.35Å; E157-R161 WeakPolarHBondContact O-CG 3.19Å; E157-R161 PolarHBondContact O-N 3.08Å; E157-R161 IonicContact OE1-CZ 2.9Å; E157-R161 IonicContact OE1-NE 3.68Å; E157-R161 IonicContact OE1-NH2 3.62Å; E157-R161 PolarHBondContact OE1-NH2 3.13Å
158M88.4Confident78.5Confident106 Ų106119.8 Ų119.852%0.52259%0.593SS.*Hα-helixtrans-64.7-44.2178.5-169.317765.500111.9I153 D154 I155 L156 R161 A162I153-M158 HydrophobicContact CG2-SD 4.36Å; D154-M158 PolarHBondContact O-N 3.08Å; I155-M158 PolarHBondContact O-N 3.49Å; L156-M158 VanDerWaalsContact C-N 3.33Å; L156-M158 PolarHBondContact O-N 2.85Å; M158-R161 PolarHBondContact O-N 3.25Å; M158-A162 WeakPolarHBondContact O-CB 3.43Å; M158-A162 PolarHBondContact O-N 3.35Å
159L89.3Confident79.7Confident107 Ų107119.2 Ų119.256%0.5658%0.58SS**Hα-helixtrans-67.4-38.1177-69.7172.1000111.9I155 L156 A162 K163I155-L159 HydrophobicContact CG2-CD1 3.82Å; I155-L159 HydrophobicContact CG2-CG 4.22Å; I155-L159 WeakPolarHBondContact O-CB 3.43Å; I155-L159 WeakPolarHBondContact O-CG 3.42Å; I155-L159 PolarHBondContact O-N 2.84Å; L156-L159 PolarHBondContact O-N 3.17Å; L159-A162 PolarHBondContact O-N 2.66Å; L159-K163 WeakPolarHBondContact O-CB 3.46Å; L159-K163 PolarHBondContact O-N 3.06Å
160S89Confident80.7Confident63 Ų63118.8 Ų118.844%0.44157%0.574SS.*Hα-helixtrans-62.2-46.4173.7-72.30000111.8L156 E157 A162 K163 D164L156-S160 WeakPolarHBondContact O-CB 3.37Å; L156-S160 PolarHBondContact O-N 2.88Å; L156-S160 PolarHBondContact O-OG 3.47Å; E157-S160 PolarHBondContact O-N 3.35Å; S160-A162 PolarHBondContact O-N 2.9Å; S160-K163 WeakPolarHBondContact O-CB 3.44Å; S160-K163 PolarHBondContact O-N 3.07Å; S160-D164 VanDerWaalsContact O-CG 3.23Å; S160-D164 PolarHBondContact O-N 3.36Å
161R88.4Confident81.2Confident155 Ų155117.4 Ų117.459%0.58557%0.57SS**Hα-helixtrans-61.7-43.7176.7-74.8-179.9-179.2178.93.5112.6E157 M158 K163 D164 E165E157-R161 WeakPolarHBondContact O-CG 3.19Å; E157-R161 PolarHBondContact O-N 3.08Å; E157-R161 IonicContact OE1-CZ 2.9Å; E157-R161 IonicContact OE1-NE 3.68Å; E157-R161 IonicContact OE1-NH2 3.62Å; E157-R161 PolarHBondContact OE1-NH2 3.13Å; M158-R161 PolarHBondContact O-N 3.25Å; R161-K163 VanDerWaalsContact C-N 3.3Å; R161-K163 PolarHBondContact O-N 2.81Å; R161-D164 PolarHBondContact O-N 2.87Å; R161-E165 WeakPolarHBondContact O-CB 3.43Å; R161-E165 PolarHBondContact O-N 3.31Å
162A88.9Confident80.7Confident56 Ų56110.2 Ų110.246%0.46356%0.56SS.*Hα-helixtrans-62.3-39.2177.900000111.8M158 L159 S160 Y166M158-A162 WeakPolarHBondContact O-CB 3.43Å; M158-A162 PolarHBondContact O-N 3.35Å; L159-A162 PolarHBondContact O-N 2.66Å; S160-A162 PolarHBondContact O-N 2.9Å; A162-Y166 WeakPolarHBondContact O-CB 3.5Å; A162-Y166 PolarHBondContact O-N 2.84Å; A162-Y166 VanDerWaalsContact O-N 3.1Å
163K88.5Confident80.3Confident112 Ų112111.1 Ų111.149%0.48756%0.558SS.*Hα-helixtrans-63.8-48.7174.2-179.4-175.8173.5-69.50111.7L159 S160 R161 E165 Y166 E167L159-K163 WeakPolarHBondContact O-CB 3.46Å; L159-K163 PolarHBondContact O-N 3.06Å; S160-K163 WeakPolarHBondContact O-CB 3.44Å; S160-K163 PolarHBondContact O-N 3.07Å; R161-K163 VanDerWaalsContact C-N 3.3Å; R161-K163 PolarHBondContact O-N 2.81Å; K163-E165 VanDerWaalsContact C-N 3.28Å; K163-E165 PolarHBondContact O-N 3.29Å; K163-Y166 PolarHBondContact O-N 3.42Å; K163-E167 VanDerWaalsContact CE-OE1 3.26Å; K163-E167 WeakPolarHBondContact CE-OE1 3.25Å; K163-E167 IonicContact NZ-OE1 2.69Å; K163-E167 PolarHBondContact NZ-OE1 2.83Å; K163-E167 IonicContact NZ-OE2 2.75Å; K163-E167 PolarHBondContact NZ-OE2 3.34Å; K163-E167 WeakPolarHBondContact O-CG 3.44Å; K163-E167 PolarHBondContact O-N 2.83Å
164D89.4Confident79.4Confident82 Ų82109.2 Ų109.244%0.43956%0.557SS.*Hα-helixtrans-63.4-35.5-178.5-66.9-17.2000112S160 R161 R168S160-D164 VanDerWaalsContact O-CG 3.23Å; S160-D164 PolarHBondContact O-N 3.36Å; R161-D164 PolarHBondContact O-N 2.87Å; D164-R168 WeakPolarHBondContact O-CB 3Å; D164-R168 PolarHBondContact O-N 3.28Å; D164-R168 VanDerWaalsContact O-N 3.11Å
165E89.6Confident77.7Confident114 Ų114111.9 Ų111.953%0.53357%0.571SS.*Hα-helixtrans-71.5-40.1177.5-166.2168.9-15800112.1R161 K163 R168 N169R161-E165 WeakPolarHBondContact O-CB 3.43Å; R161-E165 PolarHBondContact O-N 3.31Å; K163-E165 VanDerWaalsContact C-N 3.28Å; K163-E165 PolarHBondContact O-N 3.29Å; E165-R168 PolarHBondContact O-N 2.91Å; E165-N169 PolarHBondContact O-N 3.35Å; E165-N169 VanDerWaalsContact O-N 3.08Å
166Y86.5Confident75.6Confident148 Ų148114 Ų11458%0.5858%0.582SS**Hα-helixtrans-61.9-45.7173.8-179.8-96.3000112.2A162 K163 R168 N169 Q170A162-Y166 WeakPolarHBondContact O-CB 3.5Å; A162-Y166 PolarHBondContact O-N 2.84Å; A162-Y166 VanDerWaalsContact O-N 3.1Å; K163-Y166 PolarHBondContact O-N 3.42Å; Y166-R168 VanDerWaalsContact C-N 3.33Å; Y166-R168 PolarHBondContact O-N 3.02Å; Y166-N169 PolarHBondContact O-N 3.22Å; Y166-Q170 HydrophobicContact CE1-CG 4.17Å; Y166-Q170 WeakPolarHBondContact O-CG 3.3Å; Y166-Q170 PolarHBondContact O-N 3.19Å; Y166-Q170 VanDerWaalsContact O-N 3.14Å
167E87.2Confident73.6Confident86 Ų86113.1 Ų113.140%0.40259%0.587SS.*Hα-helixtrans-66.2-35.8179.1-71.5175.7163.200112.1K163 Q170 M171K163-E167 VanDerWaalsContact CE-OE1 3.26Å; K163-E167 WeakPolarHBondContact CE-OE1 3.25Å; K163-E167 IonicContact NZ-OE1 2.69Å; K163-E167 PolarHBondContact NZ-OE1 2.83Å; K163-E167 IonicContact NZ-OE2 2.75Å; K163-E167 PolarHBondContact NZ-OE2 3.34Å; K163-E167 WeakPolarHBondContact O-CG 3.44Å; K163-E167 PolarHBondContact O-N 2.83Å; E167-Q170 PolarHBondContact O-N 3.39Å; E167-M171 PolarHBondContact O-N 2.77Å
168R81.2Confident71.7Confident169 Ų169114.4 Ų114.464%0.63861%0.605SS**Hα-helixtrans-66.2-40175.9-160.1-173-52156.17.7112.3D164 E165 Y166 Q170 M171 G172D164-R168 WeakPolarHBondContact O-CB 3Å; D164-R168 PolarHBondContact O-N 3.28Å; D164-R168 VanDerWaalsContact O-N 3.11Å; E165-R168 PolarHBondContact O-N 2.91Å; Y166-R168 VanDerWaalsContact C-N 3.33Å; Y166-R168 PolarHBondContact O-N 3.02Å; R168-Q170 VanDerWaalsContact C-N 3.35Å; R168-M171 PolarHBondContact O-N 3.47Å; R168-G172 PolarHBondContact O-N 2.97Å
169N75.4Confident69.5Low108 Ų108115.1 Ų115.158%0.57862%0.618SS**Hα-helixtrans-71.6-28.4178.3-74.3-8.5000112.6E165 Y166 M171 G172E165-N169 PolarHBondContact O-N 3.35Å; E165-N169 VanDerWaalsContact O-N 3.08Å; Y166-N169 PolarHBondContact O-N 3.22Å; N169-M171 VanDerWaalsContact C-N 3.28Å; N169-M171 PolarHBondContact O-N 3.5Å; N169-G172 PolarHBondContact O-N 3.36Å
170Q69.4Low67Low134 Ų134113.6 Ų113.663%0.62663%0.627SS**Hα-helixtrans-71.5-19.5172.7-70.2-137.594.800114Y166 E167 R168Y166-Q170 HydrophobicContact CE1-CG 4.17Å; Y166-Q170 WeakPolarHBondContact O-CG 3.3Å; Y166-Q170 PolarHBondContact O-N 3.19Å; Y166-Q170 VanDerWaalsContact O-N 3.14Å; E167-Q170 PolarHBondContact O-N 3.39Å; R168-Q170 VanDerWaalsContact C-N 3.35Å
171M57.6Low64.5Low153 Ų153119.1 Ų119.175%0.75465%0.651SS**Hα-helixtrans-89-20.8174.3-67.3-175.6172.900113.2E167 R168 N169 S174E167-M171 PolarHBondContact O-N 2.77Å; R168-M171 PolarHBondContact O-N 3.47Å; N169-M171 VanDerWaalsContact C-N 3.28Å; N169-M171 PolarHBondContact O-N 3.5Å; M171-S174 PolarHBondContact O-OG 3.13Å; M171-S174 VanDerWaalsContact O-OG 3.11Å
172G53.4Low62.3Low57 Ų57120.4 Ų120.459%0.58866%0.664SS**Hα-helixtrans-77.1-22.2-178.300000115.7R168 N169 S174R168-G172 PolarHBondContact O-N 2.97Å; N169-G172 PolarHBondContact O-N 3.36Å; G172-S174 VanDerWaalsContact C-N 3.32Å; G172-S174 PolarHBondContact O-N 3.23Å
173D50Low60.7Low142 Ų142123 Ų12376%0.75968%0.676SS**THydrogen-bonded Turntrans-88.613.1-175.6-96.7-12.3000114.7
174S49Very low58.1Low92 Ų92123 Ų12364%0.64369%0.69SS**THydrogen-bonded Turntrans-94.66.218051.80000115.4M171 G172M171-S174 PolarHBondContact O-OG 3.13Å; M171-S174 VanDerWaalsContact O-OG 3.11Å; G172-S174 VanDerWaalsContact C-N 3.32Å; G172-S174 PolarHBondContact O-N 3.23Å
175N46.9Very low55.6Low143 Ų143125.6 Ų125.677%0.76571%0.709SS**  trans-141.975.4176.9-86.2-33.9000113.1
176I45.3Very low53.4Low151 Ų151128.3 Ų128.377%0.77472%0.722SS**  trans-125.689.1154.3-57.7179.8000108.3
177S44.6Very low51Low111 Ų111128.7 Ų128.778%0.77673%0.733SS**PPolyproline II helixtrans-69.6130.2156.6-69.30000108.9
178S47.6Very low48.8Very low114 Ų114129.4 Ų129.480%0.79775%0.747SS**PPolyproline II helixtrans-53.4138.1179.5-44.10000113.3
179P41.8Very low46.7Very low121 Ų121128.5 Ų128.579%0.78676%0.755SS**PPolyproline II helixtrans-88.6120.3166.816.4-1000110.4
180G36.8Very low45.1Very low74 Ų74132 Ų13276%0.76377%0.773SS**PPolyproline II helixtrans-68.8142.916900000112.3
181L37.1Very low43.6Very low179 Ų179132.8 Ų132.894%0.93782%0.817SS**PPolyproline II helixtrans-69.3130.6167.1-92.186.7000110.4
182Q42.3Very low42.9Very low183 Ų183131.8 Ų131.886%0.85582%0.821SS**  trans-131.6-179.5154.9-56.1-156.1-46.200110.1
183P54.9Low42.4Very low109 Ų109135.7 Ų135.771%0.70883%0.833SS**  -122.8-171.1-10730.5-6000111.4
184S33.9Very low42Very low112 Ų112135.4 Ų135.478%0.78384%0.837SS**  trans125.9138.6164.967.90000110.9
185T36.7Very low41.5Very low137 Ų137137.9 Ų137.984%0.8485%0.848SS**  cis-159159.812.1-25.90000108.9
186Q43.7Very low41.2Very low172 Ų172137.6 Ų137.680%0.80485%0.854SS**  trans-64.6154.4174.5-71.7-169.3-29.100115.9
187L37Very low40.9Very low156 Ų156136.7 Ų136.782%0.81786%0.859SS**  148143.6128-98.797.5000107.6
188S39.7Very low40.7Very low100 Ų100138.6 Ų138.670%0.69987%0.865SS**  cis-172142.4-0.942.20000108.1
189N38.4Very low40.1Very low151 Ų151140.5 Ų140.581%0.80787%0.87SS**  trans8.1145.8158.5-77.50.8000122.2
190L41.9Very low40Very low180 Ų180142.1 Ų142.194%0.94288%0.877SS**  -177.6140.5103.4-112.5112.5000112.1
191G37.7Very low40.3Very low152 Ų152148.3 Ų148.3100%1.56789%0.887SS**  trans111.80153.800000115.8

Retrieved 191 of 191 residues in 173.1 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).