A0A5K4F8N9_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8N9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 202 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47Very low40.6Very low231 Ų231168.2 Ų168.2100%1.13886%0.86SS**  0105.10-140171.390.800106.5V3M1-V3 PolarHBondContact O-N 2.64Å
2V41.3Very low42.3Very low139 Ų139163.3 Ų163.384%0.84283%0.828SS**  trans-82.8110.8-173.31780000107.9K4V2-K4 PolarHBondContact O-N 3.25Å
3V43.9Very low45.1Very low125 Ų125154.6 Ų154.676%0.75879%0.792SS**  trans-77.4106.8171.5179.50000107M1M1-V3 PolarHBondContact O-N 2.64Å
4K41.1Very low47.6Very low179 Ų179150.1 Ų150.178%0.77878%0.776SS**PPolyproline II helixtrans-69.9125.7164.2-73.9-176.8173.8-176.40107.5V2V2-K4 PolarHBondContact O-N 3.25Å
5R40.2Very low50.2Low230 Ų230142.7 Ų142.787%0.86874%0.742SS**PPolyproline II helixtrans-77.9121.9164.5-77.7177.4172.7135-2.5106.4
6D40.8Very low52.5Low147 Ų147139.4 Ų139.479%0.78672%0.722SS**PPolyproline II helixtrans-76.2117.8172-76.7-34.3000109.1Q8D6-Q8 PolarHBondContact O-N 3.45Å
7D37.2Very low54.6Low163 Ų163133.5 Ų133.587%0.87269%0.693SS**  trans-73.9100164.3-66.9-42.2000108.3
8Q33Very low56.6Low186 Ų186126.2 Ų126.287%0.86966%0.656SS**  trans-112.573.7165.8-85.6-168.1-41.800109.3D6 S10D6-Q8 PolarHBondContact O-N 3.45Å; Q8-S10 PolarHBondContact O-N 3.2Å
9E36.3Very low58.5Low202 Ų202119.9 Ų119.994%0.94462%0.623SS**  trans-90.292.5159.8-130.5166.5-168.200106.6
10S43.1Very low60.1Low103 Ų103117.9 Ų117.972%0.7261%0.61SS**  trans-71.3129.5-166.762.70000112.7Q8 K12Q8-S10 PolarHBondContact O-N 3.2Å; S10-K12 PolarHBondContact O-N 3.49Å
11T43.3Very low61.6Low145 Ų145112.7 Ų112.789%0.8958%0.583SS**  trans-55.3104.8164.436.40000110.5
12K60.1Low63.8Low109 Ų109101.7 Ų101.747%0.47453%0.529SS..  trans-65.1132.4175.1-150.2172.2-158170.10109.8S10 E16 E20S10-K12 PolarHBondContact O-N 3.49Å; K12-E16 HydrophobicContact CG-CB 4.11Å; K12-E20 WeakPolarHBondContact CE-OE1 3.45Å; K12-E20 VanDerWaalsContact CE-OE2 3.22Å; K12-E20 WeakPolarHBondContact CE-OE2 3.4Å; K12-E20 IonicContact NZ-OE1 2.66Å; K12-E20 PolarHBondContact NZ-OE1 2.67Å; K12-E20 IonicContact NZ-OE2 3.96Å; K12-E20 PolarHBondContact NZ-OE2 3.32Å
13S78.9Confident66.2Low51 Ų5196.2 Ų96.236%0.35749%0.494SS..  trans-67.8146.8-178.969.60000110.5S15 E16 T17S13-S15 PolarHBondContact O-N 2.85Å; S13-S15 VanDerWaalsContact O-N 3.16Å; S13-E16 PolarHBondContact N-OE2 3.1Å; S13-E16 PolarHBondContact O-N 3.39Å; S13-E16 VanDerWaalsContact O-N 3.1Å; S13-E16 WeakPolarHBondContact OG-CG 3.43Å; S13-E16 PolarHBondContact OG-N 2.94Å; S13-E16 PolarHBondContact OG-OE2 3.45Å; S13-T17 PolarHBondContact O-N 3Å; S13-T17 PolarHBondContact O-OG1 3.31Å
14T80.9Confident68.3Low92 Ų9292.1 Ų92.156%0.56447%0.473SS*.Hα-helixtrans-54.5-36.3179.7-53.10000112.2T17 F18T14-T17 PolarHBondContact O-N 3.46Å; T14-F18 PolarHBondContact O-N 3.39Å; T14-F18 VanDerWaalsContact O-N 3.1Å
15S86.3Confident70.6Confident39 Ų3984.3 Ų84.327%0.27344%0.44SS..Hα-helixtrans-65.9-41.5178.5-53.20000112.9S13 F18 L19S13-S15 PolarHBondContact O-N 2.85Å; S13-S15 VanDerWaalsContact O-N 3.16Å; S15-F18 WeakPolarHBondContact O-CB 3.48Å; S15-F18 PolarHBondContact O-N 3.11Å; S15-L19 PolarHBondContact O-N 2.92Å
16E86.7Confident72.9Confident90 Ų9073.3 Ų73.342%0.42140%0.398SS..Hα-helixtrans-62.8-46.4176.7-74.2162.8153.600110.9K12 S13 F18 L19 E20K12-E16 HydrophobicContact CG-CB 4.11Å; S13-E16 PolarHBondContact N-OE2 3.1Å; S13-E16 PolarHBondContact O-N 3.39Å; S13-E16 VanDerWaalsContact O-N 3.1Å; S13-E16 WeakPolarHBondContact OG-CG 3.43Å; S13-E16 PolarHBondContact OG-N 2.94Å; S13-E16 PolarHBondContact OG-OE2 3.45Å; E16-F18 PolarHBondContact O-N 2.68Å; E16-L19 PolarHBondContact O-N 2.74Å; E16-E20 WeakPolarHBondContact O-CB 3.17Å; E16-E20 VanDerWaalsContact O-CG 3.3Å; E16-E20 WeakPolarHBondContact O-CG 3.38Å; E16-E20 PolarHBondContact O-N 3.3Å
17T88.9Confident74.7Confident38 Ų3874.1 Ų74.123%0.23340%0.395CS..Hα-helixtrans-59.5-37.5177.1-54.50000111.6S13 T14 I21 L51S13-T17 PolarHBondContact O-N 3Å; S13-T17 PolarHBondContact O-OG1 3.31Å; T14-T17 PolarHBondContact O-N 3.46Å; T17-I21 HydrophobicContact CG2-CD1 4.2Å; T17-I21 VanDerWaalsContact O-CG1 3.32Å; T17-I21 WeakPolarHBondContact O-CG1 3.49Å; T17-I21 PolarHBondContact O-N 2.94Å; T17-I21 VanDerWaalsContact O-N 3.17Å; T17-L51 HydrophobicContact CG2-CD2 3.79Å
18F90.9Very high76.5Confident3 Ų371.1 Ų71.11%0.01338%0.379CS..Hα-helixtrans-66.7-47.4178.8-143.7-87.9000111.8T14 S15 E16 E20 I21 F22 L51 N54 W55 L58 I72 L76T14-F18 PolarHBondContact O-N 3.39Å; T14-F18 VanDerWaalsContact O-N 3.1Å; S15-F18 WeakPolarHBondContact O-CB 3.48Å; S15-F18 PolarHBondContact O-N 3.11Å; E16-F18 PolarHBondContact O-N 2.68Å; F18-E20 PolarHBondContact O-N 2.65Å; F18-I21 PolarHBondContact O-N 3.35Å; F18-F22 PolarHBondContact O-N 3.25Å; F18-L51 HydrophobicContact CD2-CD1 4.32Å; F18-N54 HydrophobicContact CE2-CB 4.27Å; F18-W55 HydrophobicContact CD1-CD2 4.4Å; F18-W55 AromaticContact CD1-CE2 3.75Å; F18-W55 AromaticContact CD1-CH2 3.5Å; F18-W55 HydrophobicContact CD1-CH2 3.5Å; F18-W55 AromaticContact CD1-CZ2 3.27Å; F18-W55 HydrophobicContact CD1-CZ2 3.27Å; F18-W55 HydrophobicContact CD1-CZ3 4.18Å; F18-W55 AromaticContact CD2-CE2 3.93Å; F18-W55 HydrophobicContact CD2-CZ2 4.21Å; F18-W55 AromaticContact CD2-NE1 3.77Å; F18-W55 AromaticContact CE1-CD2 3.61Å; F18-W55 HydrophobicContact CE1-CD2 3.61Å; F18-W55 AromaticContact CE1-CE2 3.43Å; F18-W55 VanDerWaalsContact CE1-CE2 3.43Å; F18-W55 AromaticContact CE1-CE3 3.59Å; F18-W55 HydrophobicContact CE1-CE3 3.59Å; F18-W55 AromaticContact CE1-CH2 3.21Å; F18-W55 HydrophobicContact CE1-CH2 3.21Å; F18-W55 AromaticContact CE1-CZ2 3.25Å; F18-W55 HydrophobicContact CE1-CZ2 3.25Å; F18-W55 AromaticContact CE1-CZ3 3.4Å; F18-W55 HydrophobicContact CE1-CZ3 3.4Å; F18-W55 AromaticContact CE2-CD1 3.76Å; F18-W55 AromaticContact CE2-CD2 3.78Å; F18-W55 HydrophobicContact CE2-CD2 3.78Å; F18-W55 AromaticContact CE2-CE2 3.61Å; F18-W55 HydrophobicContact CE2-CE3 4.49Å; F18-W55 AromaticContact CE2-CG 3.88Å; F18-W55 HydrophobicContact CE2-CG 3.88Å; F18-W55 HydrophobicContact CE2-CZ2 4.18Å; F18-W55 AromaticContact CE2-NE1 3.56Å; F18-W55 HydrophobicContact CG-CH2 4.45Å; F18-W55 AromaticContact CG-CZ2 3.8Å; F18-W55 HydrophobicContact CG-CZ2 3.8Å; F18-W55 AromaticContact CZ-CD2 3.26Å; F18-W55 HydrophobicContact CZ-CD2 3.26Å; F18-W55 AromaticContact CZ-CE2 3.36Å; F18-W55 AromaticContact CZ-CE3 3.54Å; F18-W55 HydrophobicContact CZ-CE3 3.54Å; F18-W55 AromaticContact CZ-CG 3.74Å; F18-W55 HydrophobicContact CZ-CG 3.74Å; F18-W55 AromaticContact CZ-CH2 3.97Å; F18-W55 HydrophobicContact CZ-CH2 3.97Å; F18-W55 AromaticContact CZ-CZ2 3.74Å; F18-W55 HydrophobicContact CZ-CZ2 3.74Å; F18-W55 AromaticContact CZ-CZ3 3.89Å; F18-W55 HydrophobicContact CZ-CZ3 3.89Å; F18-W55 AromaticContact CZ-NE1 3.82Å; F18-W55 WeakPolarHBondContact O-CZ2 3.18Å; F18-L58 HydrophobicContact CE1-CD2 3.87Å; F18-L58 HydrophobicContact CZ-CD2 3.89Å; F18-I72 HydrophobicContact CD1-CG2 3.61Å; F18-I72 HydrophobicContact CE1-CD1 3.96Å; F18-I72 HydrophobicContact CE1-CG1 4.49Å; F18-I72 HydrophobicContact CE1-CG2 3.98Å; F18-L76 HydrophobicContact CB-CD1 3.86Å; F18-L76 HydrophobicContact CB-CD2 4.42Å; F18-L76 HydrophobicContact CD1-CD1 4.07Å; F18-L76 HydrophobicContact CG-CD1 4.18Å; F18-L76 HydrophobicContact CG-CD2 4.36Å
19L92.5Very high78.7Confident6 Ų666.7 Ų66.73%0.03136%0.358CS..Hα-helixtrans-64.7-39177.4-72178.4000112.3S15 E16 I21 F22 F23 L69 I72 L76 L78 V83S15-L19 PolarHBondContact O-N 2.92Å; E16-L19 PolarHBondContact O-N 2.74Å; L19-I21 VanDerWaalsContact C-N 3.34Å; L19-I21 PolarHBondContact O-N 3.03Å; L19-F22 WeakPolarHBondContact O-CB 3.05Å; L19-F22 PolarHBondContact O-N 2.83Å; L19-F23 HydrophobicContact CB-CE2 4.14Å; L19-F23 HydrophobicContact CD2-CZ 4.39Å; L19-F23 VanDerWaalsContact O-CD2 3.3Å; L19-F23 WeakPolarHBondContact O-CD2 3.42Å; L19-F23 VanDerWaalsContact O-CG 3.29Å; L19-F23 WeakPolarHBondContact O-CG 3.5Å; L19-F23 PolarHBondContact O-N 3.34Å; L19-L69 HydrophobicContact CD2-CD1 4.25Å; L19-I72 HydrophobicContact CD2-CG2 4.07Å; L19-L76 HydrophobicContact CG-CD1 4.4Å; L19-L78 HydrophobicContact CD1-CD1 3.73Å; L19-L78 HydrophobicContact CG-CD1 4.3Å; L19-V83 HydrophobicContact CD1-CG1 4.07Å; L19-V83 HydrophobicContact CD1-CG2 4.1Å; L19-V83 HydrophobicContact CD2-CG1 3.73Å
20E90.6Very high81Confident79 Ų7960.5 Ų60.537%0.36933%0.331SS..Hα-helixtrans-61.8-42.7177-76.9179.7169.200112.7K12 E16 F18 F23 A24K12-E20 WeakPolarHBondContact CE-OE1 3.45Å; K12-E20 VanDerWaalsContact CE-OE2 3.22Å; K12-E20 WeakPolarHBondContact CE-OE2 3.4Å; K12-E20 IonicContact NZ-OE1 2.66Å; K12-E20 PolarHBondContact NZ-OE1 2.67Å; K12-E20 IonicContact NZ-OE2 3.96Å; K12-E20 PolarHBondContact NZ-OE2 3.32Å; E16-E20 WeakPolarHBondContact O-CB 3.17Å; E16-E20 VanDerWaalsContact O-CG 3.3Å; E16-E20 WeakPolarHBondContact O-CG 3.38Å; E16-E20 PolarHBondContact O-N 3.3Å; F18-E20 PolarHBondContact O-N 2.65Å; E20-F23 PolarHBondContact O-N 3.17Å; E20-A24 VanDerWaalsContact O-CB 3.25Å; E20-A24 WeakPolarHBondContact O-CB 3.48Å; E20-A24 PolarHBondContact O-N 3.09Å
21I91.7Very high83.2Confident10 Ų1057.7 Ų57.75%0.05131%0.307CS..Hα-helixtrans-65.8-43.3176.1-68.6170.1000110.3T17 F18 L19 F23 A24 I25 L38 Y41 F42 L51 W55T17-I21 HydrophobicContact CG2-CD1 4.2Å; T17-I21 VanDerWaalsContact O-CG1 3.32Å; T17-I21 WeakPolarHBondContact O-CG1 3.49Å; T17-I21 PolarHBondContact O-N 2.94Å; T17-I21 VanDerWaalsContact O-N 3.17Å; F18-I21 PolarHBondContact O-N 3.35Å; L19-I21 VanDerWaalsContact C-N 3.34Å; L19-I21 PolarHBondContact O-N 3.03Å; I21-F23 PolarHBondContact O-N 3.16Å; I21-A24 PolarHBondContact O-N 2.88Å; I21-I25 HydrophobicContact CG2-CD1 3.61Å; I21-I25 HydrophobicContact CG2-CG1 4.44Å; I21-I25 WeakPolarHBondContact O-CD1 3.31Å; I21-I25 VanDerWaalsContact O-CG1 3.24Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.11Å; I21-I25 VanDerWaalsContact O-N 3.09Å; I21-L38 HydrophobicContact CG2-CD1 3.98Å; I21-Y41 HydrophobicContact CB-CE1 4.26Å; I21-Y41 HydrophobicContact CD1-CE1 4.32Å; I21-Y41 HydrophobicContact CG1-CE1 3.78Å; I21-Y41 HydrophobicContact CG2-CD1 3.86Å; I21-Y41 HydrophobicContact CG2-CE1 3.75Å; I21-F42 HydrophobicContact CD1-CE1 4.32Å; I21-F42 HydrophobicContact CD1-CZ 4.03Å; I21-L51 HydrophobicContact CD1-CD2 3.25Å; I21-L51 HydrophobicContact CD1-CG 4.09Å; I21-W55 HydrophobicContact CB-CZ2 4.23Å; I21-W55 HydrophobicContact CG2-CZ2 4.05Å
22F93.2Very high85.4Confident0 Ų053.7 Ų53.70%028%0.278CS..Hα-helixtrans-55.7-53.1175.7-174.4-85.5000110.9F18 L19 A24 I25 D26 E31 I33 W55 L69 I72F18-F22 PolarHBondContact O-N 3.25Å; L19-F22 WeakPolarHBondContact O-CB 3.05Å; L19-F22 PolarHBondContact O-N 2.83Å; F22-A24 VanDerWaalsContact C-N 3.3Å; F22-A24 PolarHBondContact O-N 2.88Å; F22-I25 PolarHBondContact O-N 3.44Å; F22-I25 VanDerWaalsContact O-N 3.09Å; F22-D26 HydrophobicContact CD1-CB 4.36Å; F22-D26 HydrophobicContact CE1-CB 3.99Å; F22-D26 HydrophobicContact CZ-CB 4.47Å; F22-D26 WeakPolarHBondContact O-CB 3.45Å; F22-D26 PolarHBondContact O-N 3.25Å; F22-E31 WeakPolarHBondContact CZ-O 2.89Å; F22-I33 HydrophobicContact CD2-CD1 3.88Å; F22-I33 HydrophobicContact CD2-CG1 3.92Å; F22-I33 HydrophobicContact CD2-CG2 4Å; F22-I33 HydrophobicContact CE2-CB 4.41Å; F22-I33 HydrophobicContact CE2-CD1 4.36Å; F22-I33 HydrophobicContact CE2-CG1 3.88Å; F22-I33 HydrophobicContact CE2-CG2 3.86Å; F22-I33 HydrophobicContact CZ-CG2 4.25Å; F22-W55 HydrophobicContact CB-CH2 4.05Å; F22-W55 HydrophobicContact CD2-CH2 4.09Å; F22-L69 HydrophobicContact CD1-CD1 3.95Å; F22-L69 HydrophobicContact CE1-CB 3.95Å; F22-L69 HydrophobicContact CE1-CD1 3.83Å; F22-L69 HydrophobicContact CE1-CG 4.41Å; F22-L69 HydrophobicContact CZ-CB 3.84Å; F22-L69 HydrophobicContact CZ-CD1 4.33Å; F22-I72 HydrophobicContact CD2-CD1 4.45Å; F22-I72 HydrophobicContact CD2-CG1 3.6Å; F22-I72 HydrophobicContact CE2-CG1 3.86Å; F22-I72 HydrophobicContact CG-CG1 4.41Å
23F91.4Very high86.8Confident24 Ų2448.5 Ų48.511%0.10526%0.255CS..Hα-helixtrans-66.9-28.2-179.5-61.1-31.3000113.7L19 E20 I21 I25 L69 V83 R87L19-F23 HydrophobicContact CB-CE2 4.14Å; L19-F23 HydrophobicContact CD2-CZ 4.39Å; L19-F23 VanDerWaalsContact O-CD2 3.3Å; L19-F23 WeakPolarHBondContact O-CD2 3.42Å; L19-F23 VanDerWaalsContact O-CG 3.29Å; L19-F23 WeakPolarHBondContact O-CG 3.5Å; L19-F23 PolarHBondContact O-N 3.34Å; E20-F23 PolarHBondContact O-N 3.17Å; I21-F23 PolarHBondContact O-N 3.16Å; F23-I25 VanDerWaalsContact C-N 3.29Å; F23-L69 HydrophobicContact CE1-CD1 3.93Å; F23-L69 HydrophobicContact CE1-CD2 4.46Å; F23-L69 HydrophobicContact CZ-CD1 4.42Å; F23-V83 HydrophobicContact CE1-CG1 4.47Å; F23-V83 HydrophobicContact CZ-CG1 3.69Å; F23-R87 HydrophobicContact CD1-CG 4.03Å; F23-R87 HydrophobicContact CD2-CG 4.44Å; F23-R87 HydrophobicContact CE1-CB 4.11Å; F23-R87 HydrophobicContact CE1-CG 3.92Å; F23-R87 HydrophobicContact CE2-CB 4.13Å; F23-R87 HydrophobicContact CE2-CG 4.3Å; F23-R87 HydrophobicContact CG-CG 4.33Å; F23-R87 HydrophobicContact CZ-CB 3.8Å; F23-R87 HydrophobicContact CZ-CG 4.04Å
24A88.4Confident87.3Confident38 Ų3847.7 Ų47.731%0.31425%0.248SC..Hα-helixtrans-72.5-24.6174.500000112.9E20 I21 F22 K27 Y41E20-A24 VanDerWaalsContact O-CB 3.25Å; E20-A24 WeakPolarHBondContact O-CB 3.48Å; E20-A24 PolarHBondContact O-N 3.09Å; I21-A24 PolarHBondContact O-N 2.88Å; F22-A24 VanDerWaalsContact C-N 3.3Å; F22-A24 PolarHBondContact O-N 2.88Å; A24-K27 VanDerWaalsContact O-CE 3.24Å; A24-K27 WeakPolarHBondContact O-CE 3.46Å; A24-Y41 HydrophobicContact CB-CD2 4.45Å; A24-Y41 HydrophobicContact CB-CE2 3.62Å
25I88Confident87.7Confident15 Ų1546 Ų468%0.07723%0.233CC..Hα-helixtrans-89.4-47.4178.6-66.1166.1000111.6I21 F22 F23 K27 I33 Q37 L38 Y41I21-I25 HydrophobicContact CG2-CD1 3.61Å; I21-I25 HydrophobicContact CG2-CG1 4.44Å; I21-I25 WeakPolarHBondContact O-CD1 3.31Å; I21-I25 VanDerWaalsContact O-CG1 3.24Å; I21-I25 WeakPolarHBondContact O-CG1 3.48Å; I21-I25 PolarHBondContact O-N 3.11Å; I21-I25 VanDerWaalsContact O-N 3.09Å; F22-I25 PolarHBondContact O-N 3.44Å; F22-I25 VanDerWaalsContact O-N 3.09Å; F23-I25 VanDerWaalsContact C-N 3.29Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 3.27Å; I25-I33 HydrophobicContact CB-CG2 3.9Å; I25-I33 HydrophobicContact CD1-CD1 4.19Å; I25-I33 HydrophobicContact CG2-CB 3.91Å; I25-I33 HydrophobicContact CG2-CG2 3.52Å; I25-Q37 HydrophobicContact CG2-CB 3.59Å; I25-Q37 HydrophobicContact CG2-CG 4.38Å; I25-L38 HydrophobicContact CD1-CB 4.33Å; I25-L38 HydrophobicContact CD1-CD1 3.48Å; I25-L38 VanDerWaalsContact CD1-CD1 3.48Å; I25-L38 HydrophobicContact CD1-CG 4.47Å; I25-Y41 HydrophobicContact CD1-CD1 4.38Å; I25-Y41 HydrophobicContact CD1-CD2 4.34Å; I25-Y41 HydrophobicContact CD1-CG 3.93Å; I25-Y41 HydrophobicContact CG1-CD2 3.7Å; I25-Y41 HydrophobicContact CG1-CE2 4.49Å; I25-Y41 HydrophobicContact CG1-CG 3.77Å
26D88.1Confident87.7Confident0 Ų049.8 Ų49.80%025%0.25CS..  trans-75.978.4177.7175.414.3000110F22 H29 D30 E31 I33 R87F22-D26 HydrophobicContact CD1-CB 4.36Å; F22-D26 HydrophobicContact CE1-CB 3.99Å; F22-D26 HydrophobicContact CZ-CB 4.47Å; F22-D26 WeakPolarHBondContact O-CB 3.45Å; F22-D26 PolarHBondContact O-N 3.25Å; D26-H29 WeakPolarHBondContact OD1-CA 3.36Å; D26-H29 PolarHBondContact OD1-N 3.35Å; D26-D30 PolarHBondContact OD1-N 3.33Å; D26-E31 VanDerWaalsContact OD2-CA 3.25Å; D26-E31 WeakPolarHBondContact OD2-CA 3.38Å; D26-E31 PolarHBondContact OD2-N 3.03Å; D26-E31 VanDerWaalsContact OD2-N 3.1Å; D26-I33 HydrophobicContact CB-CG2 3.95Å; D26-R87 PolarHBondContact O-NH2 3.14Å; D26-R87 IonicContact OD1-NH2 2.94Å; D26-R87 IonicContact OD2-CZ 3.57Å; D26-R87 IonicContact OD2-NH1 3.8Å; D26-R87 PolarHBondContact OD2-NH1 3.13Å; D26-R87 IonicContact OD2-NH2 3.32Å; D26-R87 PolarHBondContact OD2-NH2 3.4Å
27K79.4Confident87.7Confident164 Ų16448.6 Ų48.671%0.71325%0.245SC*.  trans-87.7-21.2-178.2-66.6-175178.3-173.70113.2A24 I25 H29A24-K27 VanDerWaalsContact O-CE 3.24Å; A24-K27 WeakPolarHBondContact O-CE 3.46Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 3.27Å; K27-H29 VanDerWaalsContact C-N 3.33Å
28D75Confident87.8Confident100 Ų10046.8 Ų46.854%0.53523%0.234SC..SBendtrans-87-7.3175.643.9-8.8000112.7D30D28-D30 PolarHBondContact O-N 2.91Å
29H79.6Confident87.5Confident92 Ų9251.3 Ų51.343%0.42625%0.253SS..  trans62.829.5175.9-51.8-52.5000112.7D26 K27 R87D26-H29 WeakPolarHBondContact OD1-CA 3.36Å; D26-H29 PolarHBondContact OD1-N 3.35Å; K27-H29 VanDerWaalsContact C-N 3.33Å; H29-R87 PolarHBondContact ND1-NH2 2.68Å
30D83.6Confident87.2Confident72 Ų7259.6 Ų59.639%0.38528%0.284SS..SBendtrans-83.4-2.8176.877.1-9000112.7D26 D28 E32D26-D30 PolarHBondContact OD1-N 3.33Å; D28-D30 PolarHBondContact O-N 2.91Å; D30-E32 PolarHBondContact O-N 3.26Å; D30-E32 PolarHBondContact OD1-N 3.44Å; D30-E32 VanDerWaalsContact OD1-O 3.13Å
31E90.6Very high87.1Confident44 Ų4458.5 Ų58.521%0.20628%0.277CS..SBendtrans61.925.8-177.8-59.8-175.1153.500113.3F22 D26 S68 L69 R84F22-E31 WeakPolarHBondContact CZ-O 2.89Å; D26-E31 VanDerWaalsContact OD2-CA 3.25Å; D26-E31 WeakPolarHBondContact OD2-CA 3.38Å; D26-E31 PolarHBondContact OD2-N 3.03Å; D26-E31 VanDerWaalsContact OD2-N 3.1Å; E31-S68 CarbonylContact O-C 3.45Å; E31-S68 WeakPolarHBondContact O-CA 3.41Å; E31-L69 HydrophobicContact CB-CB 3.96Å; E31-L69 HydrophobicContact CG-CB 4.41Å; E31-L69 HydrophobicContact CG-CD2 4.26Å; E31-L69 PolarHBondContact O-N 2.98Å; E31-R84 IonicContact OE1-CZ 2.94Å; E31-R84 IonicContact OE1-NE 3.81Å; E31-R84 PolarHBondContact OE1-NE 3.13Å; E31-R84 IonicContact OE1-NH2 2.74Å; E31-R84 IonicContact OE2-CZ 3.86Å; E31-R84 IonicContact OE2-NE 3.4Å; E31-R84 PolarHBondContact OE2-NE 3.14Å; E31-R84 IonicContact OE2-NH2 3.9Å; E31-R84 PolarHBondContact OE2-NH2 2.72Å
32E89.8Confident86.9Confident61 Ų6158.7 Ų58.729%0.28528%0.278SS..EExtended strand (participates in β ladder)trans-130.3143.7174.7-63.2-167.8138.100112.8D30 R66 L67D30-E32 PolarHBondContact O-N 3.26Å; D30-E32 PolarHBondContact OD1-N 3.44Å; D30-E32 VanDerWaalsContact OD1-O 3.13Å; E32-R66 IonicContact OE1-NH1 2.67Å; E32-R66 IonicContact OE2-CZ 2.72Å; E32-R66 VanDerWaalsContact OE2-CZ 3.23Å; E32-R66 IonicContact OE2-NH1 2.65Å; E32-R66 PolarHBondContact OE2-NH1 3.49Å; E32-R66 IonicContact OE2-NH2 2.87Å; E32-L67 WeakPolarHBondContact CA-O 3.36Å
33I88.7Confident86.4Confident0 Ų066.3 Ų66.30%031%0.313CS..EExtended strand (participates in β ladder)trans-129.9142.716867.6164.9000111.6F22 I25 D26 L38 W55 R66 L67F22-I33 HydrophobicContact CD2-CD1 3.88Å; F22-I33 HydrophobicContact CD2-CG1 3.92Å; F22-I33 HydrophobicContact CD2-CG2 4Å; F22-I33 HydrophobicContact CE2-CB 4.41Å; F22-I33 HydrophobicContact CE2-CD1 4.36Å; F22-I33 HydrophobicContact CE2-CG1 3.88Å; F22-I33 HydrophobicContact CE2-CG2 3.86Å; F22-I33 HydrophobicContact CZ-CG2 4.25Å; I25-I33 HydrophobicContact CB-CG2 3.9Å; I25-I33 HydrophobicContact CD1-CD1 4.19Å; I25-I33 HydrophobicContact CG2-CB 3.91Å; I25-I33 HydrophobicContact CG2-CG2 3.52Å; D26-I33 HydrophobicContact CB-CG2 3.95Å; I33-L38 HydrophobicContact CD1-CD1 4.31Å; I33-W55 HydrophobicContact CD1-CE3 4.13Å; I33-W55 HydrophobicContact CD1-CH2 3.67Å; I33-W55 HydrophobicContact CD1-CZ3 3.38Å; I33-W55 HydrophobicContact CG1-CZ3 4.37Å; I33-R66 CarbonylContact O-C 3.6Å; I33-R66 WeakPolarHBondContact O-CA 3.13Å; I33-L67 HydrophobicContact CG1-CB 4.35Å; I33-L67 PolarHBondContact N-O 2.95Å; I33-L67 PolarHBondContact O-N 3.34Å
34T90Very high86.1Confident34 Ų3470 Ų7021%0.20934%0.337CS..EExtended strand (participates in β ladder)trans-93.6153.9174.467.50000111.9N36 Q37 L38 N65 R66T34-N36 PolarHBondContact O-N 2.64Å; T34-N36 VanDerWaalsContact O-N 3.13Å; T34-Q37 VanDerWaalsContact CB-OE1 3.3Å; T34-Q37 VanDerWaalsContact CG2-OE1 3.3Å; T34-Q37 PolarHBondContact O-N 2.96Å; T34-Q37 VanDerWaalsContact O-N 3.1Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.42Å; T34-Q37 PolarHBondContact OG1-N 2.97Å; T34-Q37 VanDerWaalsContact OG1-N 3.14Å; T34-Q37 PolarHBondContact OG1-OE1 2.78Å; T34-L38 PolarHBondContact O-N 3.33Å; T34-N65 WeakPolarHBondContact CA-O 3.19Å; T34-R66 HydrophobicContact CG2-CG 4.16Å
35K89Confident85.5Confident56 Ų5672 Ų7224%0.24334%0.343CS..Hα-helixtrans-53.9-33.5172.6-169.6174.9-172170.30113.1K39 M56 F59 N65K35-K39 WeakPolarHBondContact O-CG 3.46Å; K35-K39 PolarHBondContact O-N 2.87Å; K35-K39 VanDerWaalsContact O-N 3.09Å; K35-M56 HydrophobicContact CD-SD 4.4Å; K35-M56 WeakPolarHBondContact CE-SD 3.31Å; K35-M56 HydrophobicContact CG-CE 4.46Å; K35-M56 HydrophobicContact CG-SD 4.24Å; K35-F59 HydrophobicContact CB-CD1 4.29Å; K35-F59 HydrophobicContact CB-CD2 4.47Å; K35-F59 HydrophobicContact CB-CE1 4.04Å; K35-F59 HydrophobicContact CB-CE2 4.26Å; K35-F59 HydrophobicContact CB-CZ 4.05Å; K35-F59 HydrophobicContact CG-CD2 4.4Å; K35-F59 HydrophobicContact CG-CE2 4.49Å; K35-N65 PolarHBondContact N-O 3.45Å
36N86.3Confident84.6Confident120 Ų12079.5 Ų79.564%0.64238%0.378SS*.Hα-helixtrans-74-41.4178.2-72.6-17.1000112.3T34 L38 K39 R40T34-N36 PolarHBondContact O-N 2.64Å; T34-N36 VanDerWaalsContact O-N 3.13Å; N36-L38 VanDerWaalsContact C-N 3.3Å; N36-L38 PolarHBondContact O-N 3.07Å; N36-K39 PolarHBondContact O-N 2.94Å; N36-R40 PolarHBondContact O-N 3.02Å
37Q87.2Confident83.6Confident64 Ų6488.2 Ų88.230%0.29941%0.41SS..Hα-helixtrans-60.3-43.2174.1-78.1160.3-56.400110.9I25 T34 R40 Y41I25-Q37 HydrophobicContact CG2-CB 3.59Å; I25-Q37 HydrophobicContact CG2-CG 4.38Å; T34-Q37 VanDerWaalsContact CB-OE1 3.3Å; T34-Q37 VanDerWaalsContact CG2-OE1 3.3Å; T34-Q37 PolarHBondContact O-N 2.96Å; T34-Q37 VanDerWaalsContact O-N 3.1Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.42Å; T34-Q37 PolarHBondContact OG1-N 2.97Å; T34-Q37 VanDerWaalsContact OG1-N 3.14Å; T34-Q37 PolarHBondContact OG1-OE1 2.78Å; Q37-R40 PolarHBondContact O-N 3.25Å; Q37-Y41 PolarHBondContact O-N 3.24Å
38L89Confident83.6Confident0 Ų084.4 Ų84.40%040%0.398CS..Hα-helixtrans-60.9-47.8175.7-173.677.4000112.5I21 I25 I33 T34 N36 R40 Y41 F42 W55 M56 F59I21-L38 HydrophobicContact CG2-CD1 3.98Å; I25-L38 HydrophobicContact CD1-CB 4.33Å; I25-L38 HydrophobicContact CD1-CD1 3.48Å; I25-L38 VanDerWaalsContact CD1-CD1 3.48Å; I25-L38 HydrophobicContact CD1-CG 4.47Å; I33-L38 HydrophobicContact CD1-CD1 4.31Å; T34-L38 PolarHBondContact O-N 3.33Å; N36-L38 VanDerWaalsContact C-N 3.3Å; N36-L38 PolarHBondContact O-N 3.07Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 3.37Å; L38-Y41 WeakPolarHBondContact O-CB 3.49Å; L38-Y41 PolarHBondContact O-N 3.1Å; L38-Y41 VanDerWaalsContact O-N 3.14Å; L38-F42 HydrophobicContact CD1-CD2 4.13Å; L38-F42 HydrophobicContact CD1-CE2 3.6Å; L38-F42 HydrophobicContact CD2-CE2 4.25Å; L38-F42 HydrophobicContact CG-CD2 3.95Å; L38-F42 HydrophobicContact CG-CE2 3.77Å; L38-F42 WeakPolarHBondContact O-CD2 3.2Å; L38-F42 PolarHBondContact O-N 3.36Å; L38-F42 VanDerWaalsContact O-N 3.13Å; L38-W55 HydrophobicContact CD1-CD2 3.79Å; L38-W55 HydrophobicContact CD1-CE3 4.15Å; L38-W55 HydrophobicContact CD1-CG 3.99Å; L38-W55 HydrophobicContact CD1-CZ2 4.48Å; L38-W55 HydrophobicContact CD2-CB 3.33Å; L38-W55 HydrophobicContact CD2-CD2 3.94Å; L38-W55 HydrophobicContact CD2-CE3 4.11Å; L38-W55 HydrophobicContact CD2-CG 3.63Å; L38-W55 HydrophobicContact CG-CG 4.43Å; L38-M56 HydrophobicContact CD2-CE 4.28Å; L38-F59 HydrophobicContact CD2-CD2 4.44Å; L38-F59 HydrophobicContact CD2-CE2 3.78Å
39K86.2Confident83.9Confident98 Ų9883.7 Ų83.743%0.42639%0.394SS..Hα-helixtrans-56.6-47.2176.4-77.1179.6177.8-173.70111.8K35 N36 Y41 F42 E43 M56K35-K39 WeakPolarHBondContact O-CG 3.46Å; K35-K39 PolarHBondContact O-N 2.87Å; K35-K39 VanDerWaalsContact O-N 3.09Å; N36-K39 PolarHBondContact O-N 2.94Å; K39-Y41 VanDerWaalsContact C-N 3.28Å; K39-Y41 PolarHBondContact O-N 3.07Å; K39-F42 PolarHBondContact O-N 2.87Å; K39-E43 WeakPolarHBondContact O-CG 3.4Å; K39-E43 PolarHBondContact O-N 2.87Å; K39-M56 HydrophobicContact CG-CE 3.93Å
40R86Confident84.1Confident181 Ų18185.1 Ų85.168%0.68340%0.4SS*.Hα-helixtrans-59.8-39.3177.2-179-177.9-77.1175-4.9111.9N36 Q37 L38 E43 T44N36-R40 PolarHBondContact O-N 3.02Å; Q37-R40 PolarHBondContact O-N 3.25Å; L38-R40 VanDerWaalsContact C-N 3.33Å; L38-R40 PolarHBondContact O-N 3.37Å; R40-E43 PolarHBondContact O-N 2.89Å; R40-T44 PolarHBondContact O-N 3.05Å; R40-T44 PolarHBondContact O-OG1 3.46Å
41Y87.5Confident84.2Confident56 Ų5682.4 Ų82.422%0.2239%0.386CS..Hα-helixtrans-60-47.7177.3178.7-90000111.7I21 A24 I25 Q37 L38 K39 T44 N45I21-Y41 HydrophobicContact CB-CE1 4.26Å; I21-Y41 HydrophobicContact CD1-CE1 4.32Å; I21-Y41 HydrophobicContact CG1-CE1 3.78Å; I21-Y41 HydrophobicContact CG2-CD1 3.86Å; I21-Y41 HydrophobicContact CG2-CE1 3.75Å; A24-Y41 HydrophobicContact CB-CD2 4.45Å; A24-Y41 HydrophobicContact CB-CE2 3.62Å; I25-Y41 HydrophobicContact CD1-CD1 4.38Å; I25-Y41 HydrophobicContact CD1-CD2 4.34Å; I25-Y41 HydrophobicContact CD1-CG 3.93Å; I25-Y41 HydrophobicContact CG1-CD2 3.7Å; I25-Y41 HydrophobicContact CG1-CE2 4.49Å; I25-Y41 HydrophobicContact CG1-CG 3.77Å; Q37-Y41 PolarHBondContact O-N 3.24Å; L38-Y41 WeakPolarHBondContact O-CB 3.49Å; L38-Y41 PolarHBondContact O-N 3.1Å; L38-Y41 VanDerWaalsContact O-N 3.14Å; K39-Y41 VanDerWaalsContact C-N 3.28Å; K39-Y41 PolarHBondContact O-N 3.07Å; Y41-T44 PolarHBondContact O-N 3.17Å; Y41-N45 WeakPolarHBondContact CD2-ND2 3.25Å; Y41-N45 HydrophobicContact CE1-CB 4.29Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.39Å; Y41-N45 WeakPolarHBondContact O-CB 3.48Å; Y41-N45 PolarHBondContact O-N 2.84Å; Y41-N45 PolarHBondContact O-ND2 3.46Å
42F87.5Confident84Confident14 Ų1481.4 Ų81.46%0.06138%0.382CS..Hα-helixtrans-71.8-30.3178.9-77.6-70.2000114.1I21 L38 K39 T44 L51 I52 W55I21-F42 HydrophobicContact CD1-CE1 4.32Å; I21-F42 HydrophobicContact CD1-CZ 4.03Å; L38-F42 HydrophobicContact CD1-CD2 4.13Å; L38-F42 HydrophobicContact CD1-CE2 3.6Å; L38-F42 HydrophobicContact CD2-CE2 4.25Å; L38-F42 HydrophobicContact CG-CD2 3.95Å; L38-F42 HydrophobicContact CG-CE2 3.77Å; L38-F42 WeakPolarHBondContact O-CD2 3.2Å; L38-F42 PolarHBondContact O-N 3.36Å; L38-F42 VanDerWaalsContact O-N 3.13Å; K39-F42 PolarHBondContact O-N 2.87Å; F42-T44 PolarHBondContact O-N 3.43Å; F42-L51 HydrophobicContact CE1-CB 4.42Å; F42-L51 HydrophobicContact CE1-CD2 4.11Å; F42-L51 HydrophobicContact CE1-CG 4.35Å; F42-L51 HydrophobicContact CZ-CB 4.37Å; F42-L51 HydrophobicContact CZ-CD2 4.14Å; F42-L51 HydrophobicContact CZ-CG 4.03Å; F42-I52 HydrophobicContact CB-CD1 3.85Å; F42-I52 HydrophobicContact CB-CG1 4.14Å; F42-I52 HydrophobicContact CD1-CD1 3.91Å; F42-I52 HydrophobicContact CD1-CG1 3.64Å; F42-I52 HydrophobicContact CD2-CD1 4.23Å; F42-I52 HydrophobicContact CD2-CG1 3.55Å; F42-I52 HydrophobicContact CE1-CG1 3.8Å; F42-I52 HydrophobicContact CE2-CG1 3.71Å; F42-I52 HydrophobicContact CG-CD1 3.75Å; F42-I52 HydrophobicContact CG-CG1 3.5Å; F42-I52 HydrophobicContact CZ-CG1 3.84Å; F42-W55 AromaticContact CZ-CD1 3.97Å
43E84.2Confident84Confident160 Ų16084 Ų8475%0.74839%0.394SS*.Hα-helixtrans-62.6-29.6170.8-74.7168.3-176.900111.8K39 R40K39-E43 WeakPolarHBondContact O-CG 3.4Å; K39-E43 PolarHBondContact O-N 2.87Å; R40-E43 PolarHBondContact O-N 2.89Å
44T84.2Confident84Confident100 Ų10086.1 Ų86.161%0.61341%0.405SS*.Hα-helixtrans-94.2-36.8-174.8-49.70000113.3R40 Y41 F42R40-T44 PolarHBondContact O-N 3.05Å; R40-T44 PolarHBondContact O-OG1 3.46Å; Y41-T44 PolarHBondContact O-N 3.17Å; F42-T44 PolarHBondContact O-N 3.43Å
45N76.2Confident84.1Confident82 Ų8284.5 Ų84.544%0.43940%0.395SS..SBendtrans-10926.1-165.4-64.5-68.7000115.1Y41Y41-N45 WeakPolarHBondContact CD2-ND2 3.25Å; Y41-N45 HydrophobicContact CE1-CB 4.29Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.39Å; Y41-N45 WeakPolarHBondContact O-CB 3.48Å; Y41-N45 PolarHBondContact O-N 2.84Å; Y41-N45 PolarHBondContact O-ND2 3.46Å
46H68.3Low84.2Confident172 Ų17283.3 Ų83.380%0.79639%0.391SS*.  trans72145.1-171.1-52.6-75000114.2
47R66.9Low84.4Confident182 Ų18281.8 Ų81.869%0.68738%0.383SS*.  trans-94.8120.9-169.9-160.5-177.6-145.6-118.94.6110.5D49 I52R47-D49 WeakPolarHBondContact CD-OD1 3.48Å; R47-D49 VanDerWaalsContact CG-OD1 3.29Å; R47-D49 WeakPolarHBondContact CG-OD1 3.49Å; R47-D49 IonicContact CZ-OD1 2.64Å; R47-D49 IonicContact NE-OD1 3.88Å; R47-D49 IonicContact NH1-OD1 2.71Å; R47-D49 PolarHBondContact NH1-OD1 2.87Å; R47-D49 IonicContact NH1-OD2 3.66Å; R47-I52 HydrophobicContact CG-CD1 3.51Å
48D79.6Confident84.7Confident84 Ų8478.8 Ų78.845%0.44937%0.369SS..  trans-110.8105.2161.2-177.3-28.5000107.6H50 L51 I52D48-H50 VanDerWaalsContact C-N 3.3Å; D48-H50 PolarHBondContact O-N 2.68Å; D48-H50 PolarHBondContact OD1-N 3.28Å; D48-H50 VanDerWaalsContact OD1-N 3.1Å; D48-L51 HydrophobicContact CB-CB 3.91Å; D48-L51 PolarHBondContact O-N 3.45Å; D48-L51 PolarHBondContact OD1-N 3.37Å; D48-L51 VanDerWaalsContact OD1-N 3.16Å; D48-I52 WeakPolarHBondContact O-CG1 3.48Å; D48-I52 PolarHBondContact O-N 3.12Å
49D80.6Confident84.8Confident85 Ų8579 Ų7946%0.45537%0.37SS..Hα-helixtrans-61.8-38.1-173.5-73.7-15.7000112.1R47 I52 E53R47-D49 WeakPolarHBondContact CD-OD1 3.48Å; R47-D49 VanDerWaalsContact CG-OD1 3.29Å; R47-D49 WeakPolarHBondContact CG-OD1 3.49Å; R47-D49 IonicContact CZ-OD1 2.64Å; R47-D49 IonicContact NE-OD1 3.88Å; R47-D49 IonicContact NH1-OD1 2.71Å; R47-D49 PolarHBondContact NH1-OD1 2.87Å; R47-D49 IonicContact NH1-OD2 3.66Å; D49-I52 PolarHBondContact O-N 2.8Å; D49-E53 WeakPolarHBondContact O-CG 3.31Å; D49-E53 PolarHBondContact O-N 3.02Å
50H84.2Confident85Confident122 Ų12280.5 Ų80.557%0.56538%0.378SS*.Hα-helixtrans-68.7-39.1180-178.7-91000111.2D48 E53 N54D48-H50 VanDerWaalsContact C-N 3.3Å; D48-H50 PolarHBondContact O-N 2.68Å; D48-H50 PolarHBondContact OD1-N 3.28Å; D48-H50 VanDerWaalsContact OD1-N 3.1Å; H50-E53 PolarHBondContact O-N 3.42Å; H50-N54 PolarHBondContact CE1-ND2 3.3Å; H50-N54 PolarHBondContact O-N 2.87Å
51L86.7Confident85.3Confident16 Ų1678 Ų788%0.08438%0.378CS..Hα-helixtrans-67.2-41177.1-165.658.4000111.6T17 F18 I21 F42 D48 E53 N54 W55T17-L51 HydrophobicContact CG2-CD2 3.79Å; F18-L51 HydrophobicContact CD2-CD1 4.32Å; I21-L51 HydrophobicContact CD1-CD2 3.25Å; I21-L51 HydrophobicContact CD1-CG 4.09Å; F42-L51 HydrophobicContact CE1-CB 4.42Å; F42-L51 HydrophobicContact CE1-CD2 4.11Å; F42-L51 HydrophobicContact CE1-CG 4.35Å; F42-L51 HydrophobicContact CZ-CB 4.37Å; F42-L51 HydrophobicContact CZ-CD2 4.14Å; F42-L51 HydrophobicContact CZ-CG 4.03Å; D48-L51 HydrophobicContact CB-CB 3.91Å; D48-L51 PolarHBondContact O-N 3.45Å; D48-L51 PolarHBondContact OD1-N 3.37Å; D48-L51 VanDerWaalsContact OD1-N 3.16Å; L51-E53 VanDerWaalsContact C-N 3.33Å; L51-E53 PolarHBondContact O-N 3.26Å; L51-N54 PolarHBondContact O-N 2.79Å; L51-W55 PolarHBondContact O-N 3.26Å; L51-W55 VanDerWaalsContact O-N 3.12Å
52I86.2Confident85.5Confident23 Ų2378.2 Ų78.212%0.11838%0.38CS..Hα-helixtrans-60-44.9173.7-67.7166.5000110.5F42 R47 D48 D49 N54 W55 M56F42-I52 HydrophobicContact CB-CD1 3.85Å; F42-I52 HydrophobicContact CB-CG1 4.14Å; F42-I52 HydrophobicContact CD1-CD1 3.91Å; F42-I52 HydrophobicContact CD1-CG1 3.64Å; F42-I52 HydrophobicContact CD2-CD1 4.23Å; F42-I52 HydrophobicContact CD2-CG1 3.55Å; F42-I52 HydrophobicContact CE1-CG1 3.8Å; F42-I52 HydrophobicContact CE2-CG1 3.71Å; F42-I52 HydrophobicContact CG-CD1 3.75Å; F42-I52 HydrophobicContact CG-CG1 3.5Å; F42-I52 HydrophobicContact CZ-CG1 3.84Å; R47-I52 HydrophobicContact CG-CD1 3.51Å; D48-I52 WeakPolarHBondContact O-CG1 3.48Å; D48-I52 PolarHBondContact O-N 3.12Å; D49-I52 PolarHBondContact O-N 2.8Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 2.72Å; I52-W55 PolarHBondContact O-N 3.1Å; I52-M56 HydrophobicContact CG2-CE 4.05Å; I52-M56 HydrophobicContact CG2-CG 4.03Å; I52-M56 WeakPolarHBondContact O-CB 3.47Å; I52-M56 WeakPolarHBondContact O-CG 3.48Å; I52-M56 PolarHBondContact O-N 3.16Å
53E88.6Confident85.7Confident116 Ų11684.7 Ų84.754%0.54242%0.415SS..Hα-helixtrans-58.1-44.9177.1-77.8177.9-175.200111.9D49 H50 L51 W55 M56 N57D49-E53 WeakPolarHBondContact O-CG 3.31Å; D49-E53 PolarHBondContact O-N 3.02Å; H50-E53 PolarHBondContact O-N 3.42Å; L51-E53 VanDerWaalsContact C-N 3.33Å; L51-E53 PolarHBondContact O-N 3.26Å; E53-W55 PolarHBondContact O-N 3.41Å; E53-M56 PolarHBondContact O-N 3.49Å; E53-N57 WeakPolarHBondContact O-CB 3.41Å; E53-N57 PolarHBondContact O-N 2.91Å; E53-N57 PolarHBondContact O-ND2 3.05Å
54N90.1Very high86Confident43 Ų4379.5 Ų79.523%0.2340%0.395CS..Hα-helixtrans-58.1-46.3176.4-72-15000112.3F18 H50 L51 I52 N57 L58F18-N54 HydrophobicContact CE2-CB 4.27Å; H50-N54 PolarHBondContact CE1-ND2 3.3Å; H50-N54 PolarHBondContact O-N 2.87Å; L51-N54 PolarHBondContact O-N 2.79Å; I52-N54 VanDerWaalsContact C-N 3.34Å; I52-N54 PolarHBondContact O-N 2.72Å; N54-N57 PolarHBondContact O-N 2.83Å; N54-L58 PolarHBondContact O-N 3.34Å
55W92.5Very high86.2Confident0 Ų080.3 Ų80.30%040%0.395CS..Hα-helixtrans-63.7-43.2175.7-82103.5000112.8F18 I21 F22 I33 L38 F42 L51 I52 E53 N57 L58 F59 L67 I72F18-W55 HydrophobicContact CD1-CD2 4.4Å; F18-W55 AromaticContact CD1-CE2 3.75Å; F18-W55 AromaticContact CD1-CH2 3.5Å; F18-W55 HydrophobicContact CD1-CH2 3.5Å; F18-W55 AromaticContact CD1-CZ2 3.27Å; F18-W55 HydrophobicContact CD1-CZ2 3.27Å; F18-W55 HydrophobicContact CD1-CZ3 4.18Å; F18-W55 AromaticContact CD2-CE2 3.93Å; F18-W55 HydrophobicContact CD2-CZ2 4.21Å; F18-W55 AromaticContact CD2-NE1 3.77Å; F18-W55 AromaticContact CE1-CD2 3.61Å; F18-W55 HydrophobicContact CE1-CD2 3.61Å; F18-W55 AromaticContact CE1-CE2 3.43Å; F18-W55 VanDerWaalsContact CE1-CE2 3.43Å; F18-W55 AromaticContact CE1-CE3 3.59Å; F18-W55 HydrophobicContact CE1-CE3 3.59Å; F18-W55 AromaticContact CE1-CH2 3.21Å; F18-W55 HydrophobicContact CE1-CH2 3.21Å; F18-W55 AromaticContact CE1-CZ2 3.25Å; F18-W55 HydrophobicContact CE1-CZ2 3.25Å; F18-W55 AromaticContact CE1-CZ3 3.4Å; F18-W55 HydrophobicContact CE1-CZ3 3.4Å; F18-W55 AromaticContact CE2-CD1 3.76Å; F18-W55 AromaticContact CE2-CD2 3.78Å; F18-W55 HydrophobicContact CE2-CD2 3.78Å; F18-W55 AromaticContact CE2-CE2 3.61Å; F18-W55 HydrophobicContact CE2-CE3 4.49Å; F18-W55 AromaticContact CE2-CG 3.88Å; F18-W55 HydrophobicContact CE2-CG 3.88Å; F18-W55 HydrophobicContact CE2-CZ2 4.18Å; F18-W55 AromaticContact CE2-NE1 3.56Å; F18-W55 HydrophobicContact CG-CH2 4.45Å; F18-W55 AromaticContact CG-CZ2 3.8Å; F18-W55 HydrophobicContact CG-CZ2 3.8Å; F18-W55 AromaticContact CZ-CD2 3.26Å; F18-W55 HydrophobicContact CZ-CD2 3.26Å; F18-W55 AromaticContact CZ-CE2 3.36Å; F18-W55 AromaticContact CZ-CE3 3.54Å; F18-W55 HydrophobicContact CZ-CE3 3.54Å; F18-W55 AromaticContact CZ-CG 3.74Å; F18-W55 HydrophobicContact CZ-CG 3.74Å; F18-W55 AromaticContact CZ-CH2 3.97Å; F18-W55 HydrophobicContact CZ-CH2 3.97Å; F18-W55 AromaticContact CZ-CZ2 3.74Å; F18-W55 HydrophobicContact CZ-CZ2 3.74Å; F18-W55 AromaticContact CZ-CZ3 3.89Å; F18-W55 HydrophobicContact CZ-CZ3 3.89Å; F18-W55 AromaticContact CZ-NE1 3.82Å; F18-W55 WeakPolarHBondContact O-CZ2 3.18Å; I21-W55 HydrophobicContact CB-CZ2 4.23Å; I21-W55 HydrophobicContact CG2-CZ2 4.05Å; F22-W55 HydrophobicContact CB-CH2 4.05Å; F22-W55 HydrophobicContact CD2-CH2 4.09Å; I33-W55 HydrophobicContact CD1-CE3 4.13Å; I33-W55 HydrophobicContact CD1-CH2 3.67Å; I33-W55 HydrophobicContact CD1-CZ3 3.38Å; I33-W55 HydrophobicContact CG1-CZ3 4.37Å; L38-W55 HydrophobicContact CD1-CD2 3.79Å; L38-W55 HydrophobicContact CD1-CE3 4.15Å; L38-W55 HydrophobicContact CD1-CG 3.99Å; L38-W55 HydrophobicContact CD1-CZ2 4.48Å; L38-W55 HydrophobicContact CD2-CB 3.33Å; L38-W55 HydrophobicContact CD2-CD2 3.94Å; L38-W55 HydrophobicContact CD2-CE3 4.11Å; L38-W55 HydrophobicContact CD2-CG 3.63Å; L38-W55 HydrophobicContact CG-CG 4.43Å; F42-W55 AromaticContact CZ-CD1 3.97Å; L51-W55 PolarHBondContact O-N 3.26Å; L51-W55 VanDerWaalsContact O-N 3.12Å; I52-W55 PolarHBondContact O-N 3.1Å; E53-W55 PolarHBondContact O-N 3.41Å; W55-N57 VanDerWaalsContact C-N 3.31Å; W55-N57 PolarHBondContact O-N 3.29Å; W55-L58 PolarHBondContact O-N 3.06Å; W55-F59 HydrophobicContact CE3-CE2 4.46Å; W55-F59 VanDerWaalsContact O-CD2 3.27Å; W55-F59 WeakPolarHBondContact O-CD2 3.38Å; W55-F59 PolarHBondContact O-N 3.05Å; W55-L67 HydrophobicContact CE3-CD1 3.95Å; W55-L67 HydrophobicContact CZ3-CD1 4.01Å; W55-I72 HydrophobicContact CH2-CD1 4.08Å; W55-I72 HydrophobicContact CH2-CG1 4.31Å; W55-I72 HydrophobicContact CZ3-CD1 3.68Å; W55-I72 HydrophobicContact CZ3-CG1 4.36Å
56M90.4Very high86.9Confident31 Ų3182.3 Ų82.315%0.15340%0.396CS..Hα-helixtrans-64.7-37.8179.4-67.8-64.9159.500111.5K35 L38 K39 I52 E53 L58 F59 Q60K35-M56 HydrophobicContact CD-SD 4.4Å; K35-M56 WeakPolarHBondContact CE-SD 3.31Å; K35-M56 HydrophobicContact CG-CE 4.46Å; K35-M56 HydrophobicContact CG-SD 4.24Å; L38-M56 HydrophobicContact CD2-CE 4.28Å; K39-M56 HydrophobicContact CG-CE 3.93Å; I52-M56 HydrophobicContact CG2-CE 4.05Å; I52-M56 HydrophobicContact CG2-CG 4.03Å; I52-M56 WeakPolarHBondContact O-CB 3.47Å; I52-M56 WeakPolarHBondContact O-CG 3.48Å; I52-M56 PolarHBondContact O-N 3.16Å; E53-M56 PolarHBondContact O-N 3.49Å; M56-L58 VanDerWaalsContact C-N 3.33Å; M56-F59 PolarHBondContact O-N 3.1Å; M56-Q60 VanDerWaalsContact O-CG 3.31Å; M56-Q60 WeakPolarHBondContact O-CG 3.34Å; M56-Q60 PolarHBondContact O-N 3.19Å
57N91.5Very high88.1Confident89 Ų8974.1 Ų74.148%0.47636%0.359SS..Hα-helixtrans-63.2-39.3173.3-71.1-22.3000111.3E53 N54 W55 Q60 L61E53-N57 WeakPolarHBondContact O-CB 3.41Å; E53-N57 PolarHBondContact O-N 2.91Å; E53-N57 PolarHBondContact O-ND2 3.05Å; N54-N57 PolarHBondContact O-N 2.83Å; W55-N57 VanDerWaalsContact C-N 3.31Å; W55-N57 PolarHBondContact O-N 3.29Å; N57-Q60 WeakPolarHBondContact O-CB 3.2Å; N57-Q60 PolarHBondContact O-N 2.86Å; N57-L61 WeakPolarHBondContact O-CB 3.44Å; N57-L61 PolarHBondContact O-N 2.79Å
58L91.8Very high89.4Confident1 Ų166.5 Ų66.51%0.00533%0.333CS..Hα-helixtrans-66-43.5177.3-17554.4000112.5F18 N54 W55 M56 Q60 L61 K62 L67 I72 H75F18-L58 HydrophobicContact CE1-CD2 3.87Å; F18-L58 HydrophobicContact CZ-CD2 3.89Å; N54-L58 PolarHBondContact O-N 3.34Å; W55-L58 PolarHBondContact O-N 3.06Å; M56-L58 VanDerWaalsContact C-N 3.33Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.02Å; L58-L61 HydrophobicContact CD1-CD2 4.47Å; L58-L61 PolarHBondContact O-N 2.84Å; L58-K62 HydrophobicContact CD1-CG 4.22Å; L58-K62 PolarHBondContact O-N 2.89Å; L58-L67 HydrophobicContact CB-CD1 4.2Å; L58-L67 HydrophobicContact CD2-CD1 3.89Å; L58-L67 HydrophobicContact CD2-CD2 4.47Å; L58-L67 HydrophobicContact CG-CD1 3.8Å; L58-L67 HydrophobicContact CG-CD2 3.94Å; L58-I72 HydrophobicContact CD2-CD1 3.47Å; L58-I72 VanDerWaalsContact CD2-CD1 3.47Å; L58-H75 HydrophobicContact CD1-CB 3.7Å; L58-H75 HydrophobicContact CD2-CB 4.04Å
59F91.6Very high90.1Very high4 Ų462.5 Ų62.52%0.01831%0.312CS..Hα-helixtrans-58.5-39.5171.9-82.7-73.2000112.2K35 L38 W55 M56 N63 T64 N65 L67K35-F59 HydrophobicContact CB-CD1 4.29Å; K35-F59 HydrophobicContact CB-CD2 4.47Å; K35-F59 HydrophobicContact CB-CE1 4.04Å; K35-F59 HydrophobicContact CB-CE2 4.26Å; K35-F59 HydrophobicContact CB-CZ 4.05Å; K35-F59 HydrophobicContact CG-CD2 4.4Å; K35-F59 HydrophobicContact CG-CE2 4.49Å; L38-F59 HydrophobicContact CD2-CD2 4.44Å; L38-F59 HydrophobicContact CD2-CE2 3.78Å; W55-F59 HydrophobicContact CE3-CE2 4.46Å; W55-F59 VanDerWaalsContact O-CD2 3.27Å; W55-F59 WeakPolarHBondContact O-CD2 3.38Å; W55-F59 PolarHBondContact O-N 3.05Å; M56-F59 PolarHBondContact O-N 3.1Å; F59-N63 PolarHBondContact O-N 3.35Å; F59-N63 VanDerWaalsContact O-N 3.1Å; F59-T64 WeakPolarHBondContact CD1-O 3.27Å; F59-T64 PolarHBondContact O-N 3.12Å; F59-N65 WeakPolarHBondContact CE1-O 3.47Å; F59-L67 HydrophobicContact CD1-CD1 3.91Å; F59-L67 HydrophobicContact CD1-CD2 4.43Å; F59-L67 HydrophobicContact CD1-CG 3.69Å; F59-L67 HydrophobicContact CD2-CD1 3.73Å; F59-L67 HydrophobicContact CD2-CG 4.43Å; F59-L67 HydrophobicContact CE1-CB 4.19Å; F59-L67 HydrophobicContact CE1-CD1 3.82Å; F59-L67 HydrophobicContact CE1-CG 3.53Å; F59-L67 HydrophobicContact CE2-CD1 3.61Å; F59-L67 HydrophobicContact CE2-CG 4.28Å; F59-L67 HydrophobicContact CG-CD1 3.86Å; F59-L67 HydrophobicContact CG-CG 4.14Å; F59-L67 HydrophobicContact CZ-CB 4.32Å; F59-L67 HydrophobicContact CZ-CD1 3.65Å; F59-L67 HydrophobicContact CZ-CG 3.83Å
60Q91.3Very high90.7Very high129 Ų12962.1 Ų62.160%0.60331%0.307SS*.Hα-helixtrans-68-45.2177.1-72.8176.129.300112M56 N57 L58 K62 N63M56-Q60 VanDerWaalsContact O-CG 3.31Å; M56-Q60 WeakPolarHBondContact O-CG 3.34Å; M56-Q60 PolarHBondContact O-N 3.19Å; N57-Q60 WeakPolarHBondContact O-CB 3.2Å; N57-Q60 PolarHBondContact O-N 2.86Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.02Å; Q60-K62 VanDerWaalsContact C-N 3.3Å; Q60-K62 PolarHBondContact O-N 2.71Å; Q60-N63 WeakPolarHBondContact O-CA 3.39Å; Q60-N63 PolarHBondContact O-N 3.41Å
61L91.2Very high91.2Very high128 Ų12857.8 Ų57.867%0.6729%0.289SS*.Hα-helixtrans-59.2-42.7179.2-179.465.8000111.5N57 L58 N63N57-L61 WeakPolarHBondContact O-CB 3.44Å; N57-L61 PolarHBondContact O-N 2.79Å; L58-L61 HydrophobicContact CD1-CD2 4.47Å; L58-L61 PolarHBondContact O-N 2.84Å; L61-N63 PolarHBondContact O-N 3.27Å
62K91.2Very high91.4Very high61 Ų6157 Ų5727%0.26529%0.285SS..THydrogen-bonded Turntrans-79.7-6.2177.2-67.4-71.6-176.8156.30113.4L58 Q60 T64 L67 D71 E74L58-K62 HydrophobicContact CD1-CG 4.22Å; L58-K62 PolarHBondContact O-N 2.89Å; Q60-K62 VanDerWaalsContact C-N 3.3Å; Q60-K62 PolarHBondContact O-N 2.71Å; K62-T64 VanDerWaalsContact C-N 3.31Å; K62-T64 HydrophobicContact CB-CG2 3.45Å; K62-T64 VanDerWaalsContact CB-CG2 3.45Å; K62-T64 PolarHBondContact O-N 3.09Å; K62-L67 HydrophobicContact CB-CD2 4Å; K62-L67 HydrophobicContact CG-CD2 3.83Å; K62-D71 HydrophobicContact CD-CB 4.43Å; K62-D71 WeakPolarHBondContact CD-OD1 3.29Å; K62-D71 WeakPolarHBondContact CE-OD1 3.32Å; K62-D71 HydrophobicContact CG-CB 4.49Å; K62-D71 IonicContact NZ-OD1 2.67Å; K62-D71 PolarHBondContact NZ-OD1 2.93Å; K62-E74 IonicContact NZ-OE2 2.59Å; K62-E74 PolarHBondContact NZ-OE2 3.31Å
63N92.1Very high91.8Very high150 Ų15056.1 Ų56.180%0.80228%0.28SS*.THydrogen-bonded Turntrans47.150.9-178.4-171.134.4000113.1F59 Q60 L61F59-N63 PolarHBondContact O-N 3.35Å; F59-N63 VanDerWaalsContact O-N 3.1Å; Q60-N63 WeakPolarHBondContact O-CA 3.39Å; Q60-N63 PolarHBondContact O-N 3.41Å; L61-N63 PolarHBondContact O-N 3.27Å
64T90.2Very high92Very high52 Ų5256.8 Ų56.832%0.31928%0.283SS..SBendtrans-145.6161.4-171.9177.30000110.5F59 K62 R66 L67F59-T64 WeakPolarHBondContact CD1-O 3.27Å; F59-T64 PolarHBondContact O-N 3.12Å; K62-T64 VanDerWaalsContact C-N 3.31Å; K62-T64 HydrophobicContact CB-CG2 3.45Å; K62-T64 VanDerWaalsContact CB-CG2 3.45Å; K62-T64 PolarHBondContact O-N 3.09Å; T64-R66 WeakPolarHBondContact CG2-O 3.48Å; T64-R66 PolarHBondContact OG1-N 3.31Å; T64-R66 PolarHBondContact OG1-O 3.05Å; T64-L67 HydrophobicContact CG2-CD2 4.26Å
65N89.5Confident92Very high117 Ų11758.7 Ų58.763%0.62629%0.29SS*.SBendtrans-98.53.5169.8-71.7-47000112.7T34 K35 F59T34-N65 WeakPolarHBondContact CA-O 3.19Å; K35-N65 PolarHBondContact N-O 3.45Å; F59-N65 WeakPolarHBondContact CE1-O 3.47Å
66R91.6Very high91.9Very high123 Ų12360 Ų6046%0.46430%0.297SS..EExtended strand (participates in β ladder)trans-132.4132.5-177.3-70.9-177146.2-143.2-18110.3E32 I33 T34 T64E32-R66 IonicContact OE1-NH1 2.67Å; E32-R66 IonicContact OE2-CZ 2.72Å; E32-R66 VanDerWaalsContact OE2-CZ 3.23Å; E32-R66 IonicContact OE2-NH1 2.65Å; E32-R66 PolarHBondContact OE2-NH1 3.49Å; E32-R66 IonicContact OE2-NH2 2.87Å; I33-R66 CarbonylContact O-C 3.6Å; I33-R66 WeakPolarHBondContact O-CA 3.13Å; T34-R66 HydrophobicContact CG2-CG 4.16Å; T64-R66 WeakPolarHBondContact CG2-O 3.48Å; T64-R66 PolarHBondContact OG1-N 3.31Å; T64-R66 PolarHBondContact OG1-O 3.05Å
67L93.4Very high92Very high0 Ų067 Ų670%033%0.33CS..EExtended strand (participates in β ladder)trans-117.5128.4171.9-70.7171.8000108.9E32 I33 W55 L58 F59 K62 T64 D71 I72E32-L67 WeakPolarHBondContact CA-O 3.36Å; I33-L67 HydrophobicContact CG1-CB 4.35Å; I33-L67 PolarHBondContact N-O 2.95Å; I33-L67 PolarHBondContact O-N 3.34Å; W55-L67 HydrophobicContact CE3-CD1 3.95Å; W55-L67 HydrophobicContact CZ3-CD1 4.01Å; L58-L67 HydrophobicContact CB-CD1 4.2Å; L58-L67 HydrophobicContact CD2-CD1 3.89Å; L58-L67 HydrophobicContact CD2-CD2 4.47Å; L58-L67 HydrophobicContact CG-CD1 3.8Å; L58-L67 HydrophobicContact CG-CD2 3.94Å; F59-L67 HydrophobicContact CD1-CD1 3.91Å; F59-L67 HydrophobicContact CD1-CD2 4.43Å; F59-L67 HydrophobicContact CD1-CG 3.69Å; F59-L67 HydrophobicContact CD2-CD1 3.73Å; F59-L67 HydrophobicContact CD2-CG 4.43Å; F59-L67 HydrophobicContact CE1-CB 4.19Å; F59-L67 HydrophobicContact CE1-CD1 3.82Å; F59-L67 HydrophobicContact CE1-CG 3.53Å; F59-L67 HydrophobicContact CE2-CD1 3.61Å; F59-L67 HydrophobicContact CE2-CG 4.28Å; F59-L67 HydrophobicContact CG-CD1 3.86Å; F59-L67 HydrophobicContact CG-CG 4.14Å; F59-L67 HydrophobicContact CZ-CB 4.32Å; F59-L67 HydrophobicContact CZ-CD1 3.65Å; F59-L67 HydrophobicContact CZ-CG 3.83Å; K62-L67 HydrophobicContact CB-CD2 4Å; K62-L67 HydrophobicContact CG-CD2 3.83Å; T64-L67 HydrophobicContact CG2-CD2 4.26Å; L67-D71 HydrophobicContact CD2-CB 4.02Å; L67-I72 HydrophobicContact CB-CD1 3.92Å; L67-I72 HydrophobicContact CD1-CD1 3.99Å; L67-I72 HydrophobicContact CG-CD1 4.42Å
68S93.8Very high92Very high22 Ų2265.7 Ų65.715%0.15432%0.322CS..EExtended strand (participates in β ladder)trans-84.5163.3172.360.90000111.6E31 E70 D71 I72E31-S68 CarbonylContact O-C 3.45Å; E31-S68 WeakPolarHBondContact O-CA 3.41Å; S68-E70 PolarHBondContact O-N 3.39Å; S68-D71 PolarHBondContact N-OD2 3.28Å; S68-D71 WeakPolarHBondContact O-CB 3.35Å; S68-D71 PolarHBondContact O-N 3.17Å; S68-D71 VanDerWaalsContact O-N 3.11Å; S68-D71 PolarHBondContact OG-N 2.88Å; S68-D71 VanDerWaalsContact OG-N 3.11Å; S68-D71 PolarHBondContact OG-OD2 3.47Å; S68-I72 WeakPolarHBondContact O-CG1 3.4Å; S68-I72 PolarHBondContact O-N 3.06Å; S68-I72 VanDerWaalsContact O-N 3.17Å
69L93Very high92.1Very high0 Ų071.4 Ų71.40%035%0.349CS..Hα-helixtrans-58-37.1170.6-176.859.9000111.3L19 F22 F23 E31 I72 C73 V83 R84L19-L69 HydrophobicContact CD2-CD1 4.25Å; F22-L69 HydrophobicContact CD1-CD1 3.95Å; F22-L69 HydrophobicContact CE1-CB 3.95Å; F22-L69 HydrophobicContact CE1-CD1 3.83Å; F22-L69 HydrophobicContact CE1-CG 4.41Å; F22-L69 HydrophobicContact CZ-CB 3.84Å; F22-L69 HydrophobicContact CZ-CD1 4.33Å; F23-L69 HydrophobicContact CE1-CD1 3.93Å; F23-L69 HydrophobicContact CE1-CD2 4.46Å; F23-L69 HydrophobicContact CZ-CD1 4.42Å; E31-L69 HydrophobicContact CB-CB 3.96Å; E31-L69 HydrophobicContact CG-CB 4.41Å; E31-L69 HydrophobicContact CG-CD2 4.26Å; E31-L69 PolarHBondContact O-N 2.98Å; L69-I72 PolarHBondContact O-N 3.26Å; L69-C73 WeakPolarHBondContact O-CB 3.46Å; L69-C73 PolarHBondContact O-N 3.46Å; L69-C73 PolarHBondContact O-SG 3.02Å; L69-V83 HydrophobicContact CD1-CG1 3.88Å; L69-V83 HydrophobicContact CD2-CG1 4.35Å; L69-V83 HydrophobicContact CG-CG1 4.45Å; L69-R84 HydrophobicContact CD2-CG 4.04Å
70E93.7Very high92.1Very high77 Ų7773.1 Ų73.136%0.3636%0.358SS..Hα-helixtrans-55.5-48.4171.4-76.170.8-169.500112.1S68 I72 C73 E74 I80 R84S68-E70 PolarHBondContact O-N 3.39Å; E70-I72 PolarHBondContact O-N 3.1Å; E70-C73 PolarHBondContact O-N 3.28Å; E70-E74 WeakPolarHBondContact O-CB 3.45Å; E70-E74 PolarHBondContact O-N 3.27Å; E70-I80 HydrophobicContact CB-CD1 4.2Å; E70-I80 HydrophobicContact CG-CD1 3.41Å; E70-I80 VanDerWaalsContact CG-CD1 3.41Å; E70-I80 WeakPolarHBondContact OE1-CD1 3.37Å; E70-R84 IonicContact OE1-CZ 2.64Å; E70-R84 IonicContact OE1-NH1 3.41Å; E70-R84 IonicContact OE1-NH2 3.87Å; E70-R84 PolarHBondContact OE1-NH2 2.98Å
71D94Very high92Very high32 Ų3268.5 Ų68.517%0.17134%0.344CS..Hα-helixtrans-60.8-38178.9-66-53.3000111.5K62 L67 S68 H75K62-D71 HydrophobicContact CD-CB 4.43Å; K62-D71 WeakPolarHBondContact CD-OD1 3.29Å; K62-D71 WeakPolarHBondContact CE-OD1 3.32Å; K62-D71 HydrophobicContact CG-CB 4.49Å; K62-D71 IonicContact NZ-OD1 2.67Å; K62-D71 PolarHBondContact NZ-OD1 2.93Å; L67-D71 HydrophobicContact CD2-CB 4.02Å; S68-D71 PolarHBondContact N-OD2 3.28Å; S68-D71 WeakPolarHBondContact O-CB 3.35Å; S68-D71 PolarHBondContact O-N 3.17Å; S68-D71 VanDerWaalsContact O-N 3.11Å; S68-D71 PolarHBondContact OG-N 2.88Å; S68-D71 VanDerWaalsContact OG-N 3.11Å; S68-D71 PolarHBondContact OG-OD2 3.47Å; D71-H75 WeakPolarHBondContact O-CB 3.3Å; D71-H75 PolarHBondContact O-N 3.5Å; D71-H75 VanDerWaalsContact O-N 3.09Å
72I92.9Very high92Very high0 Ų067 Ų670%034%0.337CS..Hα-helixtrans-68.1-47.4177.7-57-32.4000110.4F18 L19 F22 W55 L58 L67 S68 L69 E70 E74 H75 L76F18-I72 HydrophobicContact CD1-CG2 3.61Å; F18-I72 HydrophobicContact CE1-CD1 3.96Å; F18-I72 HydrophobicContact CE1-CG1 4.49Å; F18-I72 HydrophobicContact CE1-CG2 3.98Å; L19-I72 HydrophobicContact CD2-CG2 4.07Å; F22-I72 HydrophobicContact CD2-CD1 4.45Å; F22-I72 HydrophobicContact CD2-CG1 3.6Å; F22-I72 HydrophobicContact CE2-CG1 3.86Å; F22-I72 HydrophobicContact CG-CG1 4.41Å; W55-I72 HydrophobicContact CH2-CD1 4.08Å; W55-I72 HydrophobicContact CH2-CG1 4.31Å; W55-I72 HydrophobicContact CZ3-CD1 3.68Å; W55-I72 HydrophobicContact CZ3-CG1 4.36Å; L58-I72 HydrophobicContact CD2-CD1 3.47Å; L58-I72 VanDerWaalsContact CD2-CD1 3.47Å; L67-I72 HydrophobicContact CB-CD1 3.92Å; L67-I72 HydrophobicContact CD1-CD1 3.99Å; L67-I72 HydrophobicContact CG-CD1 4.42Å; S68-I72 WeakPolarHBondContact O-CG1 3.4Å; S68-I72 PolarHBondContact O-N 3.06Å; S68-I72 VanDerWaalsContact O-N 3.17Å; L69-I72 PolarHBondContact O-N 3.26Å; E70-I72 PolarHBondContact O-N 3.1Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3.5Å; I72-H75 PolarHBondContact O-N 2.83Å; I72-L76 HydrophobicContact CG2-CD1 3.61Å; I72-L76 HydrophobicContact CG2-CG 4.27Å; I72-L76 WeakPolarHBondContact O-CB 3.17Å; I72-L76 VanDerWaalsContact O-CG 3.31Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 3.3Å
73C93.2Very high92.1Very high3 Ų364.3 Ų64.32%0.0233%0.326CS..Hα-helixtrans-61.9-41.9179.6-67.10000111.4L69 E70 L76 Q77 L78 I80L69-C73 WeakPolarHBondContact O-CB 3.46Å; L69-C73 PolarHBondContact O-N 3.46Å; L69-C73 PolarHBondContact O-SG 3.02Å; E70-C73 PolarHBondContact O-N 3.28Å; C73-L76 PolarHBondContact O-N 3.45Å; C73-Q77 WeakPolarHBondContact O-CA 3.42Å; C73-Q77 PolarHBondContact O-N 3.16Å; C73-L78 HydrophobicContact CB-CB 4.42Å; C73-L78 PolarHBondContact O-N 2.78Å; C73-I80 HydrophobicContact CB-CB 4.27Å
74E92.2Very high92.1Very high131 Ų13161.9 Ų61.961%0.61231%0.305SS*.Hα-helixtrans-60.8-47175.6-172.8-173.6171.800111.4K62 E70 I72 L76 Q77K62-E74 IonicContact NZ-OE2 2.59Å; K62-E74 PolarHBondContact NZ-OE2 3.31Å; E70-E74 WeakPolarHBondContact O-CB 3.45Å; E70-E74 PolarHBondContact O-N 3.27Å; I72-E74 VanDerWaalsContact C-N 3.33Å; I72-E74 PolarHBondContact O-N 3.5Å; E74-L76 PolarHBondContact O-N 2.84Å; E74-Q77 PolarHBondContact O-N 3.29Å
75H90.7Very high92Very high82 Ų8265.9 Ų65.938%0.3832%0.321SS..Hα-helixtrans-63-40.6179.8-178.365.4000112.9L58 D71 I72 Q77L58-H75 HydrophobicContact CD1-CB 3.7Å; L58-H75 HydrophobicContact CD2-CB 4.04Å; D71-H75 WeakPolarHBondContact O-CB 3.3Å; D71-H75 PolarHBondContact O-N 3.5Å; D71-H75 VanDerWaalsContact O-N 3.09Å; I72-H75 PolarHBondContact O-N 2.83Å; H75-Q77 VanDerWaalsContact C-N 3.29Å
76L91Very high91.9Very high28 Ų2864.6 Ų64.615%0.14731%0.311CS..Hα-helixtrans-85.6-0.5-179.3-60.3176.3000113.3F18 L19 I72 C73 E74 L78F18-L76 HydrophobicContact CB-CD1 3.86Å; F18-L76 HydrophobicContact CB-CD2 4.42Å; F18-L76 HydrophobicContact CD1-CD1 4.07Å; F18-L76 HydrophobicContact CG-CD1 4.18Å; F18-L76 HydrophobicContact CG-CD2 4.36Å; L19-L76 HydrophobicContact CG-CD1 4.4Å; I72-L76 HydrophobicContact CG2-CD1 3.61Å; I72-L76 HydrophobicContact CG2-CG 4.27Å; I72-L76 WeakPolarHBondContact O-CB 3.17Å; I72-L76 VanDerWaalsContact O-CG 3.31Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 3.3Å; C73-L76 PolarHBondContact O-N 3.45Å; E74-L76 PolarHBondContact O-N 2.84Å; L76-L78 VanDerWaalsContact C-N 3.27Å; L76-L78 HydrophobicContact CB-CD1 3.85Å; L76-L78 HydrophobicContact CB-CG 3.79Å; L76-L78 HydrophobicContact CD1-CD1 4.01Å; L76-L78 PolarHBondContact O-N 3.21Å
77Q91.7Very high91.7Very high179 Ų17959.5 Ų59.584%0.83629%0.291SS*.THydrogen-bonded Turntrans55.640.2-175.2-55.7176.418.100113C73 E74 H75C73-Q77 WeakPolarHBondContact O-CA 3.42Å; C73-Q77 PolarHBondContact O-N 3.16Å; E74-Q77 PolarHBondContact O-N 3.29Å; H75-Q77 VanDerWaalsContact C-N 3.29Å
78L92.9Very high91.2Very high61 Ų6160.7 Ų60.732%0.31930%0.304SS..  trans-100.6149.6178.5-61.3177.5000111.2L19 C73 L76 I80 V83L19-L78 HydrophobicContact CD1-CD1 3.73Å; L19-L78 HydrophobicContact CG-CD1 4.3Å; C73-L78 HydrophobicContact CB-CB 4.42Å; C73-L78 PolarHBondContact O-N 2.78Å; L76-L78 VanDerWaalsContact C-N 3.27Å; L76-L78 HydrophobicContact CB-CD1 3.85Å; L76-L78 HydrophobicContact CB-CG 3.79Å; L76-L78 HydrophobicContact CD1-CD1 4.01Å; L76-L78 PolarHBondContact O-N 3.21Å; L78-I80 PolarHBondContact O-N 3.12Å; L78-V83 HydrophobicContact CB-CG2 3.99Å; L78-V83 HydrophobicContact CD1-CG2 4.06Å
79H92Very high90.7Very high121 Ų12163.2 Ų63.256%0.5632%0.318SS*.  trans-79.9117.6171.8-174.3-104.9000109.8G81 D82 V83H79-G81 PolarHBondContact ND1-N 2.75Å; H79-G81 PolarHBondContact O-N 3.41Å; H79-D82 HydrophobicContact CB-CB 4.45Å; H79-D82 IonicContact CE1-OD1 2.61Å; H79-D82 IonicContact CG-OD1 3.53Å; H79-D82 IonicContact ND1-OD1 3.39Å; H79-D82 PolarHBondContact ND1-OD1 3.11Å; H79-D82 IonicContact ND1-OD2 3.74Å; H79-D82 WeakPolarHBondContact O-CB 2.94Å; H79-D82 PolarHBondContact O-N 2.94Å; H79-V83 PolarHBondContact O-N 3.01Å
80I92.5Very high90Very high40 Ų4067.1 Ų67.121%0.20534%0.337CS..Hα-helixtrans-60-32.7-175.2-172.4165.1000113.5E70 C73 L78 D82 V83 R84E70-I80 HydrophobicContact CB-CD1 4.2Å; E70-I80 HydrophobicContact CG-CD1 3.41Å; E70-I80 VanDerWaalsContact CG-CD1 3.41Å; E70-I80 WeakPolarHBondContact OE1-CD1 3.37Å; C73-I80 HydrophobicContact CB-CB 4.27Å; L78-I80 PolarHBondContact O-N 3.12Å; I80-D82 PolarHBondContact O-N 2.59Å; I80-V83 PolarHBondContact O-N 3.22Å; I80-R84 HydrophobicContact CG1-CG 4.23Å; I80-R84 WeakPolarHBondContact O-CB 3.47Å; I80-R84 WeakPolarHBondContact O-CG 3.28Å; I80-R84 PolarHBondContact O-N 3.02Å
81G89.7Confident89Confident31 Ų3166.7 Ų66.732%0.3234%0.336SS..Hα-helixtrans-59.5-38.6176.400000112.2H79 Q85H79-G81 PolarHBondContact ND1-N 2.75Å; H79-G81 PolarHBondContact O-N 3.41Å; G81-Q85 WeakPolarHBondContact O-CB 3.13Å; G81-Q85 PolarHBondContact O-N 3.5Å
82D91.7Very high87.9Confident97 Ų9771.2 Ų71.252%0.51936%0.355SS..Hα-helixtrans-74-39.5-177.7-56.8-0.2000109.9H79 I80 Q85 Q86H79-D82 HydrophobicContact CB-CB 4.45Å; H79-D82 IonicContact CE1-OD1 2.61Å; H79-D82 IonicContact CG-OD1 3.53Å; H79-D82 IonicContact ND1-OD1 3.39Å; H79-D82 PolarHBondContact ND1-OD1 3.11Å; H79-D82 IonicContact ND1-OD2 3.74Å; H79-D82 WeakPolarHBondContact O-CB 2.94Å; H79-D82 PolarHBondContact O-N 2.94Å; I80-D82 PolarHBondContact O-N 2.59Å; D82-Q85 PolarHBondContact O-N 3.48Å; D82-Q86 WeakPolarHBondContact O-CB 3.3Å; D82-Q86 PolarHBondContact O-N 2.82Å
83V91.9Very high86.4Confident5 Ų573.8 Ų73.83%0.0337%0.373CS..Hα-helixtrans-66.4-43.3177.1177.60000111.4L19 F23 L69 L78 H79 I80 Q85 Q86 R87L19-V83 HydrophobicContact CD1-CG1 4.07Å; L19-V83 HydrophobicContact CD1-CG2 4.1Å; L19-V83 HydrophobicContact CD2-CG1 3.73Å; F23-V83 HydrophobicContact CE1-CG1 4.47Å; F23-V83 HydrophobicContact CZ-CG1 3.69Å; L69-V83 HydrophobicContact CD1-CG1 3.88Å; L69-V83 HydrophobicContact CD2-CG1 4.35Å; L69-V83 HydrophobicContact CG-CG1 4.45Å; L78-V83 HydrophobicContact CB-CG2 3.99Å; L78-V83 HydrophobicContact CD1-CG2 4.06Å; H79-V83 PolarHBondContact O-N 3.01Å; I80-V83 PolarHBondContact O-N 3.22Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q86 WeakPolarHBondContact O-CB 3.44Å; V83-Q86 PolarHBondContact O-N 3.36Å; V83-R87 WeakPolarHBondContact O-CB 3.33Å; V83-R87 PolarHBondContact O-N 3.09Å
84R91.6Very high84.8Confident98 Ų9877.5 Ų77.537%0.3740%0.395SS..Hα-helixtrans-63.3-40.7173.3-77.6179.8168.5139.6-4111.7E31 L69 E70 I80 R87 G88E31-R84 IonicContact OE1-CZ 2.94Å; E31-R84 IonicContact OE1-NE 3.81Å; E31-R84 PolarHBondContact OE1-NE 3.13Å; E31-R84 IonicContact OE1-NH2 2.74Å; E31-R84 IonicContact OE2-CZ 3.86Å; E31-R84 IonicContact OE2-NE 3.4Å; E31-R84 PolarHBondContact OE2-NE 3.14Å; E31-R84 IonicContact OE2-NH2 3.9Å; E31-R84 PolarHBondContact OE2-NH2 2.72Å; L69-R84 HydrophobicContact CD2-CG 4.04Å; E70-R84 IonicContact OE1-CZ 2.64Å; E70-R84 IonicContact OE1-NH1 3.41Å; E70-R84 IonicContact OE1-NH2 3.87Å; E70-R84 PolarHBondContact OE1-NH2 2.98Å; I80-R84 HydrophobicContact CG1-CG 4.23Å; I80-R84 WeakPolarHBondContact O-CB 3.47Å; I80-R84 WeakPolarHBondContact O-CG 3.28Å; I80-R84 PolarHBondContact O-N 3.02Å; R84-R87 PolarHBondContact O-N 3.03Å; R84-G88 PolarHBondContact O-N 3.14Å
85Q88.7Confident82.9Confident137 Ų13777.2 Ų77.264%0.6439%0.394SS*.Hα-helixtrans-63.7-44.5174.4-176.1177-7.800111.2G81 D82 V83 G88 T89G81-Q85 WeakPolarHBondContact O-CB 3.13Å; G81-Q85 PolarHBondContact O-N 3.5Å; D82-Q85 PolarHBondContact O-N 3.48Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-G88 PolarHBondContact O-N 3.25Å; Q85-T89 WeakPolarHBondContact O-CG2 3.48Å; Q85-T89 PolarHBondContact O-N 2.94Å; Q85-T89 PolarHBondContact O-OG1 2.95Å
86Q88.5Confident81Confident90 Ų9081.5 Ų81.542%0.42141%0.411SS..Hα-helixtrans-57.4-50.8175.3178.1-177.6-16.800110.6D82 V83 G88 T89 Q90D82-Q86 WeakPolarHBondContact O-CB 3.3Å; D82-Q86 PolarHBondContact O-N 2.82Å; V83-Q86 WeakPolarHBondContact O-CB 3.44Å; V83-Q86 PolarHBondContact O-N 3.36Å; Q86-G88 VanDerWaalsContact C-N 3.34Å; Q86-G88 PolarHBondContact O-N 3.33Å; Q86-T89 WeakPolarHBondContact CA-OG1 3.22Å; Q86-T89 CarbonylContact O-C 3.58Å; Q86-T89 PolarHBondContact O-N 2.96Å; Q86-T89 VanDerWaalsContact O-N 3.12Å; Q86-T89 PolarHBondContact O-OG1 3.03Å; Q86-Q90 WeakPolarHBondContact O-CB 3.42Å; Q86-Q90 PolarHBondContact O-N 3.36Å
87R87.4Confident78.9Confident15 Ų1584.7 Ų84.76%0.05744%0.436CS..Hα-helixtrans-57.6-47.1176.5-167.1-174.3-170.1173.74.9111.3F23 D26 H29 V83 R84 T89 Q90 L91F23-R87 HydrophobicContact CD1-CG 4.03Å; F23-R87 HydrophobicContact CD2-CG 4.44Å; F23-R87 HydrophobicContact CE1-CB 4.11Å; F23-R87 HydrophobicContact CE1-CG 3.92Å; F23-R87 HydrophobicContact CE2-CB 4.13Å; F23-R87 HydrophobicContact CE2-CG 4.3Å; F23-R87 HydrophobicContact CG-CG 4.33Å; F23-R87 HydrophobicContact CZ-CB 3.8Å; F23-R87 HydrophobicContact CZ-CG 4.04Å; D26-R87 PolarHBondContact O-NH2 3.14Å; D26-R87 IonicContact OD1-NH2 2.94Å; D26-R87 IonicContact OD2-CZ 3.57Å; D26-R87 IonicContact OD2-NH1 3.8Å; D26-R87 PolarHBondContact OD2-NH1 3.13Å; D26-R87 IonicContact OD2-NH2 3.32Å; D26-R87 PolarHBondContact OD2-NH2 3.4Å; H29-R87 PolarHBondContact ND1-NH2 2.68Å; V83-R87 WeakPolarHBondContact O-CB 3.33Å; V83-R87 PolarHBondContact O-N 3.09Å; R84-R87 PolarHBondContact O-N 3.03Å; R87-T89 VanDerWaalsContact C-N 3.31Å; R87-T89 PolarHBondContact O-N 3.09Å; R87-Q90 WeakPolarHBondContact O-CB 3.33Å; R87-Q90 PolarHBondContact O-N 3.48Å; R87-Q90 VanDerWaalsContact O-N 3.12Å; R87-L91 HydrophobicContact CG-CD1 4.3Å; R87-L91 WeakPolarHBondContact O-CG 3.47Å; R87-L91 PolarHBondContact O-N 3.38Å
88G82.7Confident76.8Confident25 Ų2579.3 Ų79.326%0.25841%0.413SS..Hα-helixtrans-61.3-36.6176.300000113.2R84 Q85 Q86 K92R84-G88 PolarHBondContact O-N 3.14Å; Q85-G88 PolarHBondContact O-N 3.25Å; Q86-G88 VanDerWaalsContact C-N 3.34Å; Q86-G88 PolarHBondContact O-N 3.33Å; G88-K92 VanDerWaalsContact O-CB 3.31Å; G88-K92 WeakPolarHBondContact O-CB 3.36Å; G88-K92 WeakPolarHBondContact O-CD 3.16Å; G88-K92 WeakPolarHBondContact O-CG 3.28Å; G88-K92 PolarHBondContact O-N 3.23Å
89T82.7Confident74.4Confident75 Ų7579.5 Ų79.546%0.4642%0.419SS..Hα-helixtrans-73-32.7173.257.90000112.9Q85 Q86 R87 S93Q85-T89 WeakPolarHBondContact O-CG2 3.48Å; Q85-T89 PolarHBondContact O-N 2.94Å; Q85-T89 PolarHBondContact O-OG1 2.95Å; Q86-T89 WeakPolarHBondContact CA-OG1 3.22Å; Q86-T89 CarbonylContact O-C 3.58Å; Q86-T89 PolarHBondContact O-N 2.96Å; Q86-T89 VanDerWaalsContact O-N 3.12Å; Q86-T89 PolarHBondContact O-OG1 3.03Å; R87-T89 VanDerWaalsContact C-N 3.31Å; R87-T89 PolarHBondContact O-N 3.09Å; T89-S93 WeakPolarHBondContact O-CA 3.24Å; T89-S93 WeakPolarHBondContact O-CB 3.44Å; T89-S93 PolarHBondContact O-N 3.15Å; T89-S93 PolarHBondContact O-OG 3.28Å; T89-S93 VanDerWaalsContact O-OG 3.11Å
90Q77.8Confident72.5Confident82 Ų8275.6 Ų75.638%0.38341%0.406SS..Hα-helixtrans-67.4-46.3174.5-174.2-179.814.100110.4Q86 R87 K92 S93 T94Q86-Q90 WeakPolarHBondContact O-CB 3.42Å; Q86-Q90 PolarHBondContact O-N 3.36Å; R87-Q90 WeakPolarHBondContact O-CB 3.33Å; R87-Q90 PolarHBondContact O-N 3.48Å; R87-Q90 VanDerWaalsContact O-N 3.12Å; Q90-K92 PolarHBondContact O-N 2.59Å; Q90-S93 WeakPolarHBondContact CA-OG 3.37Å; Q90-S93 PolarHBondContact O-N 3.03Å; Q90-S93 PolarHBondContact O-OG 3.39Å; Q90-T94 WeakPolarHBondContact O-CB 3.38Å; Q90-T94 PolarHBondContact O-N 2.91Å; Q90-T94 PolarHBondContact O-OG1 3.1Å
91L72.8Confident70.4Confident68 Ų6880.2 Ų80.236%0.35642%0.421SS..Hα-helixtrans-59.2-49.7174.1-67.9171.2000110.3R87 S93 T94 E95R87-L91 HydrophobicContact CG-CD1 4.3Å; R87-L91 WeakPolarHBondContact O-CG 3.47Å; R87-L91 PolarHBondContact O-N 3.38Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 2.61Å; L91-T94 PolarHBondContact O-N 3.29Å; L91-E95 WeakPolarHBondContact O-CB 3.18Å; L91-E95 WeakPolarHBondContact O-CG 3.26Å; L91-E95 PolarHBondContact O-N 3.32Å
92K71.1Confident68.6Low128 Ų12883.2 Ų83.256%0.55743%0.434SS*.Hα-helixtrans-64-30.7176.1-72.8173-174.5177.20114.1G88 Q90 K96G88-K92 VanDerWaalsContact O-CB 3.31Å; G88-K92 WeakPolarHBondContact O-CB 3.36Å; G88-K92 WeakPolarHBondContact O-CD 3.16Å; G88-K92 WeakPolarHBondContact O-CG 3.28Å; G88-K92 PolarHBondContact O-N 3.23Å; Q90-K92 PolarHBondContact O-N 2.59Å; K92-K96 VanDerWaalsContact O-CB 3.22Å; K92-K96 WeakPolarHBondContact O-CB 3.49Å; K92-K96 VanDerWaalsContact O-CG 3.28Å; K92-K96 WeakPolarHBondContact O-CG 3.24Å; K92-K96 PolarHBondContact O-N 2.69Å
93S62Low67.4Low54 Ų5481 Ų8138%0.37842%0.422SS..Hα-helixtrans-81.6-34.8178.771.50000110.7T89 Q90 L91 E95 K96 S97T89-S93 WeakPolarHBondContact O-CA 3.24Å; T89-S93 WeakPolarHBondContact O-CB 3.44Å; T89-S93 PolarHBondContact O-N 3.15Å; T89-S93 PolarHBondContact O-OG 3.28Å; T89-S93 VanDerWaalsContact O-OG 3.11Å; Q90-S93 WeakPolarHBondContact CA-OG 3.37Å; Q90-S93 PolarHBondContact O-N 3.03Å; Q90-S93 PolarHBondContact O-OG 3.39Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 2.61Å; S93-E95 VanDerWaalsContact C-N 3.29Å; S93-K96 PolarHBondContact O-N 3.33Å; S93-S97 WeakPolarHBondContact O-CA 3.34Å; S93-S97 WeakPolarHBondContact O-CB 3.35Å; S93-S97 PolarHBondContact O-N 3.12Å; S93-S97 PolarHBondContact O-OG 2.93Å
94T58.7Low66.7Low80 Ų8081.1 Ų81.149%0.49142%0.422SS..Hα-helixtrans-61.8-42.1166.9-56.70000109.9Q90 L91 L98Q90-T94 WeakPolarHBondContact O-CB 3.38Å; Q90-T94 PolarHBondContact O-N 2.91Å; Q90-T94 PolarHBondContact O-OG1 3.1Å; L91-T94 PolarHBondContact O-N 3.29Å; T94-L98 WeakPolarHBondContact O-CD1 3.25Å; T94-L98 PolarHBondContact O-N 3.49Å; T94-L98 VanDerWaalsContact O-N 3.15Å
95E53.3Low65.9Low125 Ų12581.4 Ų81.458%0.58443%0.428SS*.Hα-helixtrans-64.2-39.8173-72.1165.5-169.900113.2L91 S93 L98L91-E95 WeakPolarHBondContact O-CB 3.18Å; L91-E95 WeakPolarHBondContact O-CG 3.26Å; L91-E95 PolarHBondContact O-N 3.32Å; S93-E95 VanDerWaalsContact C-N 3.29Å; E95-L98 VanDerWaalsContact O-O 3.08Å
96K51.2Low65.2Low172 Ų17285.3 Ų85.375%0.74844%0.436SS*.Hα-helixtrans-83.7-27.4179.4-79.3179.6177.9-178.10114.3K92 S93 S99K92-K96 VanDerWaalsContact O-CB 3.22Å; K92-K96 WeakPolarHBondContact O-CB 3.49Å; K92-K96 VanDerWaalsContact O-CG 3.28Å; K92-K96 WeakPolarHBondContact O-CG 3.24Å; K92-K96 PolarHBondContact O-N 2.69Å; S93-K96 PolarHBondContact O-N 3.33Å; K96-S99 PolarHBondContact O-N 3.33Å
97S46.2Very low64.9Low95 Ų9583.6 Ų83.666%0.66443%0.432SS*.Hα-helixtrans-80.4-25.4179.4-540000111.1S93 S99S93-S97 WeakPolarHBondContact O-CA 3.34Å; S93-S97 WeakPolarHBondContact O-CB 3.35Å; S93-S97 PolarHBondContact O-N 3.12Å; S93-S97 PolarHBondContact O-OG 2.93Å; S97-S99 PolarHBondContact O-N 2.88Å
98L46.7Very low64.9Low66 Ų6683.2 Ų83.235%0.34643%0.431SS..SBendtrans-72.174.6147.1-86.996.6000108.3T94 E95 S100 M121T94-L98 WeakPolarHBondContact O-CD1 3.25Å; T94-L98 PolarHBondContact O-N 3.49Å; T94-L98 VanDerWaalsContact O-N 3.15Å; E95-L98 VanDerWaalsContact O-O 3.08Å; L98-S100 WeakPolarHBondContact O-CA 3.22Å; L98-S100 PolarHBondContact O-N 3.37Å; L98-M121 HydrophobicContact CD2-CE 4.33Å
99S42.6Very low65Low66 Ų6683.1 Ų83.146%0.46243%0.43SS..  trans-59.488.8161.160.50000107.3K96 S97 Y101 T102K96-S99 PolarHBondContact O-N 3.33Å; S97-S99 PolarHBondContact O-N 2.88Å; S99-Y101 PolarHBondContact O-N 3.21Å; S99-T102 PolarHBondContact O-N 2.72Å; S99-T102 PolarHBondContact O-OG1 2.93Å; S99-T102 PolarHBondContact OG-OG1 2.77Å
100S52.1Low65.2Low39 Ų3986.6 Ų86.627%0.27345%0.446SS..Hα-helixtrans-56.8-24.5-157610000112.7L98 N104 D117L98-S100 WeakPolarHBondContact O-CA 3.22Å; L98-S100 PolarHBondContact O-N 3.37Å; S100-N104 WeakPolarHBondContact O-CA 2.95Å; S100-N104 WeakPolarHBondContact O-CB 3.3Å; S100-N104 PolarHBondContact O-N 2.82Å; S100-N104 PolarHBondContact O-ND2 2.99Å; S100-D117 WeakPolarHBondContact CB-OD2 3.49Å
101Y49.1Very low65.8Low137 Ų13786.1 Ų86.154%0.53745%0.446SS..Hα-helixtrans-66-44176.5-80.9-81.2000114.6S99 Q105S99-Y101 PolarHBondContact O-N 3.21Å; Y101-Q105 WeakPolarHBondContact O-CB 3.03Å; Y101-Q105 WeakPolarHBondContact O-CG 3.4Å; Y101-Q105 PolarHBondContact O-N 3.05Å
102T51.6Low66.8Low94 Ų9483.3 Ų83.358%0.57743%0.432SS*.Hα-helixtrans-75.8-36.6-175.859.20000112S99 R106S99-T102 PolarHBondContact O-N 2.72Å; S99-T102 PolarHBondContact O-OG1 2.93Å; S99-T102 PolarHBondContact OG-OG1 2.77Å; T102-R106 WeakPolarHBondContact O-CB 3.11Å; T102-R106 PolarHBondContact O-N 3.2Å
103D66.1Low67.8Low51 Ų5182.4 Ų82.427%0.27343%0.429SS..Hα-helixtrans-78.1-41178.8-158.124.1000111.8Q105 R106 V107 M121D103-Q105 PolarHBondContact O-N 2.97Å; D103-R106 PolarHBondContact O-N 3.44Å; D103-V107 WeakPolarHBondContact O-CB 3.35Å; D103-V107 WeakPolarHBondContact O-CG2 3.05Å; D103-V107 PolarHBondContact O-N 2.96Å; D103-V107 WeakPolarHBondContact OD1-CG2 3.44Å; D103-M121 HydrophobicContact CB-CE 4.13Å; D103-M121 WeakPolarHBondContact OD2-CE 3.25Å
104N77.3Confident69.3Low6 Ų680.3 Ų80.33%0.03241%0.414CS..Hα-helixtrans-61.1-44175.7-72.6-31.6000111.3S100 R106 V107 L108 V114 D117 M121 K124S100-N104 WeakPolarHBondContact O-CA 2.95Å; S100-N104 WeakPolarHBondContact O-CB 3.3Å; S100-N104 PolarHBondContact O-N 2.82Å; S100-N104 PolarHBondContact O-ND2 2.99Å; N104-R106 VanDerWaalsContact C-N 3.34Å; N104-R106 PolarHBondContact O-N 3.26Å; N104-V107 PolarHBondContact O-N 2.91Å; N104-L108 HydrophobicContact CB-CD1 4.01Å; N104-L108 HydrophobicContact CB-CG 4.43Å; N104-L108 WeakPolarHBondContact O-CA 3.37Å; N104-L108 WeakPolarHBondContact O-CB 3.35Å; N104-L108 WeakPolarHBondContact O-CG 3.49Å; N104-L108 PolarHBondContact O-N 3.37Å; N104-V114 HydrophobicContact CB-CG2 4.01Å; N104-D117 PolarHBondContact ND2-OD2 2.72Å; N104-M121 WeakPolarHBondContact OD1-CE 3.49Å; N104-K124 PolarHBondContact OD1-NZ 3.11Å
105Q74.4Confident70.9Confident104 Ų10479.8 Ų79.849%0.48641%0.408SS..Hα-helixtrans-63-41.8178-77179.7-14.200112Y101 D103 G109Y101-Q105 WeakPolarHBondContact O-CB 3.03Å; Y101-Q105 WeakPolarHBondContact O-CG 3.4Å; Y101-Q105 PolarHBondContact O-N 3.05Å; D103-Q105 PolarHBondContact O-N 2.97Å; Q105-G109 CarbonylContact O-C 3.53Å; Q105-G109 WeakPolarHBondContact O-CA 3.36Å; Q105-G109 PolarHBondContact O-N 2.67Å; Q105-G109 VanDerWaalsContact O-N 3.13Å
106R75.8Confident72.7Confident219 Ų21975.8 Ų75.883%0.82639%0.392SS*.Hα-helixtrans-66.4-40.3179.4-174.1-179178.2-169.3-1.1112.6T102 D103 N104T102-R106 WeakPolarHBondContact O-CB 3.11Å; T102-R106 PolarHBondContact O-N 3.2Å; D103-R106 PolarHBondContact O-N 3.44Å; N104-R106 VanDerWaalsContact C-N 3.34Å; N104-R106 PolarHBondContact O-N 3.26Å
107V81.5Confident74.5Confident55 Ų5569.8 Ų69.833%0.33337%0.368SS..Hα-helixtrans-92.4-44-172.5178.50000112.3D103 N104 M121 L125D103-V107 WeakPolarHBondContact O-CB 3.35Å; D103-V107 WeakPolarHBondContact O-CG2 3.05Å; D103-V107 PolarHBondContact O-N 2.96Å; D103-V107 WeakPolarHBondContact OD1-CG2 3.44Å; N104-V107 PolarHBondContact O-N 2.91Å; V107-M121 HydrophobicContact CB-CE 4.46Å; V107-M121 HydrophobicContact CB-SD 4Å; V107-M121 HydrophobicContact CG1-CG 3.99Å; V107-M121 HydrophobicContact CG1-SD 3.79Å; V107-L125 HydrophobicContact CG1-CD1 4.22Å; V107-L125 HydrophobicContact CG1-CD2 4.3Å
108L87.8Confident76.5Confident6 Ų669.5 Ų69.53%0.03136%0.356CS..Hα-helixtrans-84.8-24.3-177.8-53.4-179.4000112.5N104 V112 V114 M121 K124 L125 R132 F183N104-L108 HydrophobicContact CB-CD1 4.01Å; N104-L108 HydrophobicContact CB-CG 4.43Å; N104-L108 WeakPolarHBondContact O-CA 3.37Å; N104-L108 WeakPolarHBondContact O-CB 3.35Å; N104-L108 WeakPolarHBondContact O-CG 3.49Å; N104-L108 PolarHBondContact O-N 3.37Å; L108-V112 HydrophobicContact CB-CB 4.09Å; L108-V112 HydrophobicContact CB-CG1 4.13Å; L108-V112 HydrophobicContact CB-CG2 4.32Å; L108-V112 HydrophobicContact CD1-CG1 4.01Å; L108-V114 HydrophobicContact CD1-CG2 3.89Å; L108-M121 HydrophobicContact CD2-SD 4.32Å; L108-K124 HydrophobicContact CD2-CB 4.22Å; L108-L125 HydrophobicContact CD2-CB 4.2Å; L108-L125 HydrophobicContact CD2-CD1 4.18Å; L108-R132 PolarHBondContact O-NH2 3.41Å; L108-F183 HydrophobicContact CD1-CZ 3.94Å
109G85.4Confident78.5Confident23 Ų2366.8 Ų66.824%0.23734%0.342CS..  trans98.7158.3-176.800000113.4Q105 D111 V112Q105-G109 CarbonylContact O-C 3.53Å; Q105-G109 WeakPolarHBondContact O-CA 3.36Å; Q105-G109 PolarHBondContact O-N 2.67Å; Q105-G109 VanDerWaalsContact O-N 3.13Å; G109-D111 PolarHBondContact O-N 2.63Å; G109-V112 PolarHBondContact O-N 2.93Å
110N86.2Confident80.5Confident148 Ų14866.1 Ų66.179%0.79134%0.336SS*.THydrogen-bonded Turntrans-71.5-12.4-175.6-67-24.3000114V112N110-V112 VanDerWaalsContact C-N 3.27Å
111D90.7Very high82Confident73 Ų7366 Ų6639%0.3933%0.331SS..THydrogen-bonded Turntrans-78.7-11.6175.861.8-34.6000112.9G109 R132 L187G109-D111 PolarHBondContact O-N 2.63Å; D111-R132 VanDerWaalsContact CG-NH2 3.3Å; D111-R132 IonicContact OD1-CZ 3.14Å; D111-R132 IonicContact OD1-NE 2.68Å; D111-R132 IonicContact OD1-NH2 2.71Å; D111-R132 PolarHBondContact OD1-NH2 2.87Å; D111-R132 IonicContact OD2-CZ 2.85Å; D111-R132 IonicContact OD2-NE 3.63Å; D111-R132 PolarHBondContact OD2-NE 3.2Å; D111-R132 IonicContact OD2-NH2 3.51Å; D111-R132 PolarHBondContact OD2-NH2 2.87Å; D111-L187 HydrophobicContact CB-CD1 3.98Å; D111-L187 WeakPolarHBondContact O-CD1 3.44Å; D111-L187 VanDerWaalsContact OD2-CD1 3.24Å; D111-L187 WeakPolarHBondContact OD2-CD1 3.24Å
112V92.2Very high83.6Confident9 Ų964.8 Ų64.86%0.05533%0.334CS..EExtended strand (participates in β ladder)trans-105.6118.9-177.4177.90000109.8L108 G109 N110 V114 T128 F185 R186 L187L108-V112 HydrophobicContact CB-CB 4.09Å; L108-V112 HydrophobicContact CB-CG1 4.13Å; L108-V112 HydrophobicContact CB-CG2 4.32Å; L108-V112 HydrophobicContact CD1-CG1 4.01Å; G109-V112 PolarHBondContact O-N 2.93Å; N110-V112 VanDerWaalsContact C-N 3.27Å; V112-V114 HydrophobicContact CG1-CG2 4.24Å; V112-T128 HydrophobicContact CB-CG2 4.34Å; V112-T128 HydrophobicContact CG1-CG2 4.06Å; V112-T128 HydrophobicContact CG2-CG2 3.35Å; V112-F185 HydrophobicContact CG1-CB 4.05Å; V112-F185 HydrophobicContact CG1-CD2 3.95Å; V112-F185 HydrophobicContact CG1-CG 4.29Å; V112-R186 WeakPolarHBondContact CA-O 3.41Å; V112-L187 HydrophobicContact CG2-CD1 4.24Å
113H92.5Very high85.4Confident108 Ų10861.5 Ų61.550%0.531%0.313SS..EExtended strand (participates in β ladder)trans-106.8106.3173.3-17876.4000110.1F185 R186H113-F185 CarbonylContact O-C 3.47Å; H113-F185 VanDerWaalsContact O-CA 3.27Å; H113-F185 WeakPolarHBondContact O-CA 3.33Å; H113-R186 HydrophobicContact CB-CB 4.24Å; H113-R186 PolarHBondContact N-O 2.94Å; H113-R186 PolarHBondContact O-N 3.32Å
114V93Very high86.7Confident11 Ų1159.3 Ų59.37%0.06730%0.301CS..EExtended strand (participates in β ladder)trans-73.4132.4179.4179.10000110.5N104 L108 V112 D117 F183N104-V114 HydrophobicContact CB-CG2 4.01Å; L108-V114 HydrophobicContact CD1-CG2 3.89Å; V112-V114 HydrophobicContact CG1-CG2 4.24Å; V114-D117 HydrophobicContact CG1-CB 3.86Å; V114-F183 HydrophobicContact CB-CE2 4.49Å; V114-F183 HydrophobicContact CG1-CE2 3.83Å; V114-F183 HydrophobicContact CG2-CE2 3.93Å; V114-F183 HydrophobicContact CG2-CZ 4.09Å
115I92.4Very high87.2Confident68 Ų6861.8 Ų61.835%0.34931%0.313SS..EExtended strand (participates in β ladder)trans-106.3-47.5-179.3-55.5167.3000110.2Y171 Q184 R186I115-Y171 HydrophobicContact CD1-CE1 4.44Å; I115-Y171 WeakPolarHBondContact CD1-OH 3.35Å; I115-Q184 HydrophobicContact CB-CB 3.92Å; I115-Q184 HydrophobicContact CG2-CB 4.45Å; I115-Q184 PolarHBondContact N-O 3.11Å; I115-R186 HydrophobicContact CD1-CB 4.42Å
116V91.1Very high88.1Confident42 Ų4261 Ų6126%0.25531%0.309SS..EExtended strand (participates in β ladder)trans-136.3135.6176177.50000108.5Q118 F183 Q184V116-Q118 HydrophobicContact CG1-CG 4.5Å; V116-F183 WeakPolarHBondContact O-CD2 3.15Å; V116-Q184 HydrophobicContact CB-CB 3.81Å; V116-Q184 HydrophobicContact CB-CG 3.78Å; V116-Q184 HydrophobicContact CG2-CB 4.13Å; V116-Q184 HydrophobicContact CG2-CG 4.02Å; V116-Q184 PolarHBondContact N-O 2.78Å; V116-Q184 VanDerWaalsContact N-O 3.11Å; V116-Q184 PolarHBondContact O-N 3.42Å
117D90Very high89Confident45 Ų4550.6 Ų50.624%0.24127%0.269CS..EExtended strand (participates in β ladder)trans-134.494.2-173.9-167.5-7.8000110.2S100 N104 V114 K124S100-D117 WeakPolarHBondContact CB-OD2 3.49Å; N104-D117 PolarHBondContact ND2-OD2 2.72Å; V114-D117 HydrophobicContact CG1-CB 3.86Å; D117-K124 VanDerWaalsContact OD1-CD 3.25Å; D117-K124 WeakPolarHBondContact OD1-CD 3.12Å; D117-K124 WeakPolarHBondContact OD1-CE 3.29Å; D117-K124 IonicContact OD1-NZ 2.94Å; D117-K124 PolarHBondContact OD1-NZ 2.81Å; D117-K124 IonicContact OD2-NZ 3.61Å; D117-K124 PolarHBondContact OD2-NZ 2.87Å
118Q88.4Confident89.7Confident90 Ų9048 Ų4842%0.42125%0.253SS..EExtended strand (participates in β ladder)trans-134.454.3173.3-66.7179.4-46.600107.4V116 H177 D180 C181 S182V116-Q118 HydrophobicContact CG1-CG 4.5Å; Q118-H177 PolarHBondContact OE1-CE1 3.33Å; Q118-H177 VanDerWaalsContact OE1-CE1 3.25Å; Q118-H177 PolarHBondContact OE1-NE2 3.38Å; Q118-D180 CarbonylContact O-C 3.12Å; Q118-D180 WeakPolarHBondContact O-CA 3.31Å; Q118-C181 PolarHBondContact O-N 3.16Å; Q118-C181 VanDerWaalsContact O-N 3.11Å; Q118-S182 CarbonylContact C-O 3.56Å; Q118-S182 WeakPolarHBondContact CA-O 3.26Å; Q118-S182 PolarHBondContact N-O 2.82Å; Q118-S182 PolarHBondContact O-N 2.71Å; Q118-S182 VanDerWaalsContact O-O 3.07Å
119M88.5Confident89.9Confident9 Ų951.1 Ų51.14%0.04427%0.27CS..SBendtrans-153137.6-175.8-176.9177.6-6900110.9M123 K124 I127 W162 F183 V194M119-M123 HydrophobicContact CE-CE 4.27Å; M119-M123 HydrophobicContact CG-CB 3.63Å; M119-M123 HydrophobicContact CG-CE 4.12Å; M119-M123 HydrophobicContact CG-SD 4.35Å; M119-M123 HydrophobicContact SD-CB 3.72Å; M119-M123 HydrophobicContact SD-CE 4.21Å; M119-K124 HydrophobicContact CB-CD 4.48Å; M119-K124 HydrophobicContact CB-CG 3.93Å; M119-K124 HydrophobicContact CG-CG 3.94Å; M119-K124 WeakPolarHBondContact O-CD 3.25Å; M119-K124 WeakPolarHBondContact O-CE 3.19Å; M119-K124 HydrophobicContact SD-CG 4.07Å; M119-I127 HydrophobicContact CE-CD1 3.82Å; M119-I127 HydrophobicContact SD-CD1 3.45Å; M119-I127 WeakPolarHBondContact SD-CD1 3.4Å; M119-W162 HydrophobicContact CE-CH2 3.57Å; M119-W162 HydrophobicContact CE-CZ3 3.59Å; M119-F183 HydrophobicContact CB-CB 4.03Å; M119-F183 HydrophobicContact CE-CB 3.56Å; M119-F183 HydrophobicContact SD-CB 3.73Å; M119-F183 HydrophobicContact SD-CD1 4.38Å; M119-F183 HydrophobicContact SD-CG 4.24Å; M119-V194 HydrophobicContact CE-CG2 4.29Å
120P85Confident90.4Very high51 Ų5151.2 Ų51.233%0.33127%0.265SS..  trans-56.4148174.8-28.336.5000113.9D122 M123 K124 D180P120-D122 VanDerWaalsContact CB-OD1 3.25Å; P120-D122 WeakPolarHBondContact CB-OD1 3.47Å; P120-D122 PolarHBondContact O-N 2.67Å; P120-M123 HydrophobicContact CG-SD 4.19Å; P120-M123 WeakPolarHBondContact O-CB 3.45Å; P120-M123 PolarHBondContact O-N 3.31Å; P120-K124 WeakPolarHBondContact O-CG 3.4Å; P120-K124 PolarHBondContact O-N 3.02Å; P120-D180 WeakPolarHBondContact CD-O 3.49Å
121M83.4Confident90.8Very high37 Ų3744.2 Ų44.218%0.18223%0.227CC..Hα-helixtrans-61.3-38-173-174.46377.500114.1L98 D103 N104 V107 L108 M123 K124 L125L98-M121 HydrophobicContact CD2-CE 4.33Å; D103-M121 HydrophobicContact CB-CE 4.13Å; D103-M121 WeakPolarHBondContact OD2-CE 3.25Å; N104-M121 WeakPolarHBondContact OD1-CE 3.49Å; V107-M121 HydrophobicContact CB-CE 4.46Å; V107-M121 HydrophobicContact CB-SD 4Å; V107-M121 HydrophobicContact CG1-CG 3.99Å; V107-M121 HydrophobicContact CG1-SD 3.79Å; L108-M121 HydrophobicContact CD2-SD 4.32Å; M121-M123 VanDerWaalsContact C-N 3.35Å; M121-K124 PolarHBondContact O-N 2.99Å; M121-L125 WeakPolarHBondContact O-CB 3.44Å; M121-L125 PolarHBondContact O-N 2.89Å
122D82.5Confident90.9Very high112 Ų11244 Ų4460%0.59922%0.221SC*.Hα-helixtrans-63.4-40.9177.664.9-50.2000111.7P120 K126P120-D122 VanDerWaalsContact CB-OD1 3.25Å; P120-D122 WeakPolarHBondContact CB-OD1 3.47Å; P120-D122 PolarHBondContact O-N 2.67Å; D122-K126 WeakPolarHBondContact O-CB 3.28Å; D122-K126 PolarHBondContact O-N 3.24Å; D122-K126 VanDerWaalsContact O-N 3.17Å
123M89.5Confident90.8Very high25 Ų2550.5 Ų50.512%0.12324%0.244CC..Hα-helixtrans-65.6-48.2173.3-66.3-178.75700111.2M119 P120 M121 L125 K126 I127 F158 W162M119-M123 HydrophobicContact CE-CE 4.27Å; M119-M123 HydrophobicContact CG-CB 3.63Å; M119-M123 HydrophobicContact CG-CE 4.12Å; M119-M123 HydrophobicContact CG-SD 4.35Å; M119-M123 HydrophobicContact SD-CB 3.72Å; M119-M123 HydrophobicContact SD-CE 4.21Å; P120-M123 HydrophobicContact CG-SD 4.19Å; P120-M123 WeakPolarHBondContact O-CB 3.45Å; P120-M123 PolarHBondContact O-N 3.31Å; M121-M123 VanDerWaalsContact C-N 3.35Å; M123-L125 PolarHBondContact O-N 3.42Å; M123-K126 PolarHBondContact O-N 2.83Å; M123-I127 WeakPolarHBondContact O-CB 3.41Å; M123-I127 WeakPolarHBondContact O-CG1 3.38Å; M123-I127 PolarHBondContact O-N 3.44Å; M123-F158 HydrophobicContact CB-CE1 4.19Å; M123-F158 HydrophobicContact CB-CZ 4.31Å; M123-F158 HydrophobicContact CE-CB 3.98Å; M123-F158 HydrophobicContact CE-CD1 3.98Å; M123-F158 HydrophobicContact CE-CD2 4.23Å; M123-F158 HydrophobicContact CE-CG 3.81Å; M123-F158 HydrophobicContact CG-CD1 3.86Å; M123-F158 HydrophobicContact CG-CE1 3.69Å; M123-F158 HydrophobicContact CG-CZ 4.29Å; M123-F158 HydrophobicContact SD-CD1 4.29Å; M123-W162 HydrophobicContact CE-CH2 3.64Å; M123-W162 HydrophobicContact CE-CZ2 3.73Å
124K92.8Very high90.7Very high4 Ų447.6 Ų47.62%0.01723%0.232CC..Hα-helixtrans-55.5-48.9177.3-72.3-173.4-69.7-171.80112N104 L108 D117 M119 P120 M121 K126 I127 T128 F183N104-K124 PolarHBondContact OD1-NZ 3.11Å; L108-K124 HydrophobicContact CD2-CB 4.22Å; D117-K124 VanDerWaalsContact OD1-CD 3.25Å; D117-K124 WeakPolarHBondContact OD1-CD 3.12Å; D117-K124 WeakPolarHBondContact OD1-CE 3.29Å; D117-K124 IonicContact OD1-NZ 2.94Å; D117-K124 PolarHBondContact OD1-NZ 2.81Å; D117-K124 IonicContact OD2-NZ 3.61Å; D117-K124 PolarHBondContact OD2-NZ 2.87Å; M119-K124 HydrophobicContact CB-CD 4.48Å; M119-K124 HydrophobicContact CB-CG 3.93Å; M119-K124 HydrophobicContact CG-CG 3.94Å; M119-K124 WeakPolarHBondContact O-CD 3.25Å; M119-K124 WeakPolarHBondContact O-CE 3.19Å; M119-K124 HydrophobicContact SD-CG 4.07Å; P120-K124 WeakPolarHBondContact O-CG 3.4Å; P120-K124 PolarHBondContact O-N 3.02Å; M121-K124 PolarHBondContact O-N 2.99Å; K124-K126 VanDerWaalsContact C-N 3.33Å; K124-K126 PolarHBondContact O-N 3.25Å; K124-I127 PolarHBondContact O-N 3.15Å; K124-T128 WeakPolarHBondContact O-CB 3.29Å; K124-T128 PolarHBondContact O-N 2.86Å; K124-T128 PolarHBondContact O-OG1 2.9Å; K124-F183 HydrophobicContact CB-CE1 4.11Å; K124-F183 HydrophobicContact CB-CE2 4.45Å; K124-F183 HydrophobicContact CB-CZ 4.09Å; K124-F183 HydrophobicContact CD-CD2 3.73Å; K124-F183 HydrophobicContact CD-CE2 3.45Å; K124-F183 VanDerWaalsContact CD-CE2 3.45Å; K124-F183 HydrophobicContact CD-CG 4.41Å; K124-F183 HydrophobicContact CD-CZ 3.92Å; K124-F183 HydrophobicContact CG-CD1 4.1Å; K124-F183 HydrophobicContact CG-CD2 3.83Å; K124-F183 HydrophobicContact CG-CE1 4.06Å; K124-F183 HydrophobicContact CG-CE2 3.8Å; K124-F183 HydrophobicContact CG-CG 4.01Å; K124-F183 HydrophobicContact CG-CZ 3.92Å
125L89Confident90.4Very high58 Ų5848 Ų4830%0.30423%0.234SC..Hα-helixtrans-60.4-45.1-179.4-179.162000111V107 L108 M121 M123 N129V107-L125 HydrophobicContact CG1-CD1 4.22Å; V107-L125 HydrophobicContact CG1-CD2 4.3Å; L108-L125 HydrophobicContact CD2-CB 4.2Å; L108-L125 HydrophobicContact CD2-CD1 4.18Å; M121-L125 WeakPolarHBondContact O-CB 3.44Å; M121-L125 PolarHBondContact O-N 2.89Å; M123-L125 PolarHBondContact O-N 3.42Å; L125-N129 WeakPolarHBondContact CD1-ND2 3.35Å; L125-N129 VanDerWaalsContact O-CB 3.23Å; L125-N129 WeakPolarHBondContact O-CB 3.45Å; L125-N129 PolarHBondContact O-N 2.66Å; L125-N129 PolarHBondContact O-ND2 3.4Å
126K91.6Very high89.7Confident88 Ų8847.2 Ų47.238%0.38323%0.232SC..Hα-helixtrans-66.6-43-179.7-173.8163-178.6179.90112.5D122 M123 K124 E130 F153 N157 F158D122-K126 WeakPolarHBondContact O-CB 3.28Å; D122-K126 PolarHBondContact O-N 3.24Å; D122-K126 VanDerWaalsContact O-N 3.17Å; M123-K126 PolarHBondContact O-N 2.83Å; K124-K126 VanDerWaalsContact C-N 3.33Å; K124-K126 PolarHBondContact O-N 3.25Å; K126-E130 WeakPolarHBondContact O-CB 3.46Å; K126-E130 PolarHBondContact O-N 2.83Å; K126-E130 VanDerWaalsContact O-N 3.15Å; K126-F153 HydrophobicContact CD-CZ 4.48Å; K126-F153 HydrophobicContact CG-CE1 4.29Å; K126-F153 HydrophobicContact CG-CZ 3.79Å; K126-N157 WeakPolarHBondContact CE-OD1 3.35Å; K126-N157 PolarHBondContact NZ-OD1 3.02Å; K126-F158 HydrophobicContact CB-CZ 4.13Å; K126-F158 HydrophobicContact CD-CE1 4.26Å; K126-F158 HydrophobicContact CD-CZ 3.87Å; K126-F158 HydrophobicContact CG-CZ 4.07Å
127I96Very high88.7Confident0 Ų050.9 Ų50.90%025%0.25CS..Hα-helixtrans-65.6-48.8176.7-73164.9000110.8M119 M123 K124 N129 E130 F131 M154 F158 F185 V194M119-I127 HydrophobicContact CE-CD1 3.82Å; M119-I127 HydrophobicContact SD-CD1 3.45Å; M119-I127 WeakPolarHBondContact SD-CD1 3.4Å; M123-I127 WeakPolarHBondContact O-CB 3.41Å; M123-I127 WeakPolarHBondContact O-CG1 3.38Å; M123-I127 PolarHBondContact O-N 3.44Å; K124-I127 PolarHBondContact O-N 3.15Å; I127-N129 PolarHBondContact O-N 3.45Å; I127-E130 PolarHBondContact O-N 3.15Å; I127-F131 HydrophobicContact CG2-CD2 3.65Å; I127-F131 HydrophobicContact CG2-CE2 3.63Å; I127-F131 WeakPolarHBondContact O-CD2 3.37Å; I127-F131 PolarHBondContact O-N 2.81Å; I127-M154 HydrophobicContact CD1-CG 4.3Å; I127-M154 HydrophobicContact CD1-SD 3.7Å; I127-M154 HydrophobicContact CG1-CG 4.14Å; I127-M154 HydrophobicContact CG1-SD 3.92Å; I127-M154 HydrophobicContact CG2-SD 4.5Å; I127-F158 HydrophobicContact CD1-CD2 4.33Å; I127-F158 HydrophobicContact CD1-CE2 3.8Å; I127-F158 HydrophobicContact CD1-CZ 4.49Å; I127-F158 HydrophobicContact CG1-CE2 3.68Å; I127-F158 HydrophobicContact CG1-CZ 4.29Å; I127-F185 HydrophobicContact CG2-CE1 4.22Å; I127-V194 HydrophobicContact CG2-CG2 4.33Å
128T95.2Very high87.9Confident0 Ų055.3 Ų55.30%027%0.267CS..Hα-helixtrans-61.8-44.6-178.6-55.50000111.4V112 K124 E130 F131 R132 F183 F185V112-T128 HydrophobicContact CB-CG2 4.34Å; V112-T128 HydrophobicContact CG1-CG2 4.06Å; V112-T128 HydrophobicContact CG2-CG2 3.35Å; K124-T128 WeakPolarHBondContact O-CB 3.29Å; K124-T128 PolarHBondContact O-N 2.86Å; K124-T128 PolarHBondContact O-OG1 2.9Å; T128-E130 VanDerWaalsContact C-N 3.31Å; T128-E130 PolarHBondContact O-N 3.02Å; T128-F131 PolarHBondContact O-N 3.34Å; T128-R132 VanDerWaalsContact O-CB 3.28Å; T128-R132 WeakPolarHBondContact O-CB 3.36Å; T128-R132 PolarHBondContact O-N 2.76Å; T128-F183 WeakPolarHBondContact OG1-CE1 3.38Å; T128-F185 HydrophobicContact CG2-CD2 4.48Å; T128-F185 HydrophobicContact CG2-CE2 4.16Å
129N92.4Very high86.9Confident73 Ų7359.6 Ų59.639%0.3929%0.293SS..Hα-helixtrans-62.8-38.7177.1-76.3-22.6000112.2L125 I127 R132 R133L125-N129 WeakPolarHBondContact CD1-ND2 3.35Å; L125-N129 VanDerWaalsContact O-CB 3.23Å; L125-N129 WeakPolarHBondContact O-CB 3.45Å; L125-N129 PolarHBondContact O-N 2.66Å; L125-N129 PolarHBondContact O-ND2 3.4Å; I127-N129 PolarHBondContact O-N 3.45Å; N129-R132 PolarHBondContact O-N 2.87Å; N129-R132 PolarHBondContact OD1-NH1 2.84Å; N129-R133 WeakPolarHBondContact O-CB 3.41Å; N129-R133 PolarHBondContact O-N 2.95Å
130E95.5Very high86.3Confident25 Ų2564.9 Ų64.912%0.11732%0.322CS..Hα-helixtrans-70.3-42179.6-169.668.2173.700111.6K126 I127 T128 R133 L134 Y149 M150 F153K126-E130 WeakPolarHBondContact O-CB 3.46Å; K126-E130 PolarHBondContact O-N 2.83Å; K126-E130 VanDerWaalsContact O-N 3.15Å; I127-E130 PolarHBondContact O-N 3.15Å; T128-E130 VanDerWaalsContact C-N 3.31Å; T128-E130 PolarHBondContact O-N 3.02Å; E130-R133 PolarHBondContact O-N 2.79Å; E130-R133 IonicContact OE1-CZ 3.34Å; E130-R133 IonicContact OE1-NE 2.77Å; E130-R133 IonicContact OE1-NH2 3.94Å; E130-R133 PolarHBondContact OE1-NH2 2.98Å; E130-R133 IonicContact OE2-CZ 3.81Å; E130-R133 IonicContact OE2-NE 3.01Å; E130-R133 PolarHBondContact OE2-NE 3.19Å; E130-R133 IonicContact OE2-NH2 3.64Å; E130-L134 HydrophobicContact CG-CD1 4.04Å; E130-L134 WeakPolarHBondContact O-CD1 3.34Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.36Å; E130-L134 PolarHBondContact O-N 3.35Å; E130-Y149 HydrophobicContact CG-CE1 4.15Å; E130-Y149 VanDerWaalsContact OE1-CE1 3.24Å; E130-Y149 WeakPolarHBondContact OE1-CE1 2.96Å; E130-Y149 PolarHBondContact OE1-OH 3.08Å; E130-M150 HydrophobicContact CB-CE 4.07Å; E130-M150 HydrophobicContact CB-SD 4.24Å; E130-M150 HydrophobicContact CG-CE 4.03Å; E130-M150 HydrophobicContact CG-SD 3.64Å; E130-F153 HydrophobicContact CB-CD1 4.47Å; E130-F153 HydrophobicContact CB-CE1 3.94Å; E130-F153 HydrophobicContact CB-CE2 4.3Å; E130-F153 HydrophobicContact CB-CZ 3.83Å; E130-F153 HydrophobicContact CG-CD1 4.15Å; E130-F153 HydrophobicContact CG-CD2 3.98Å; E130-F153 HydrophobicContact CG-CE1 4.02Å; E130-F153 HydrophobicContact CG-CE2 3.84Å; E130-F153 HydrophobicContact CG-CG 4.12Å; E130-F153 HydrophobicContact CG-CZ 3.85Å
131F95.3Very high86.1Confident0 Ų064.6 Ų64.60%032%0.316CS..Hα-helixtrans-60.2-45.6170.2-83.8-66.8000111.9I127 T128 R133 L134 I135 L146 M150 V164 I166 F185 F192 V194I127-F131 HydrophobicContact CG2-CD2 3.65Å; I127-F131 HydrophobicContact CG2-CE2 3.63Å; I127-F131 WeakPolarHBondContact O-CD2 3.37Å; I127-F131 PolarHBondContact O-N 2.81Å; T128-F131 PolarHBondContact O-N 3.34Å; F131-R133 VanDerWaalsContact C-N 3.28Å; F131-R133 PolarHBondContact O-N 2.88Å; F131-L134 PolarHBondContact O-N 2.91Å; F131-L134 VanDerWaalsContact O-N 3.09Å; F131-I135 WeakPolarHBondContact O-CB 3.45Å; F131-I135 PolarHBondContact O-N 3.06Å; F131-L146 HydrophobicContact CD1-CD2 4.41Å; F131-M150 HydrophobicContact CD1-CE 4.27Å; F131-M150 HydrophobicContact CD1-CG 3.96Å; F131-M150 HydrophobicContact CD1-SD 4.29Å; F131-M150 HydrophobicContact CD2-CE 3.63Å; F131-M150 HydrophobicContact CE1-CB 4.1Å; F131-M150 HydrophobicContact CE1-CE 4.19Å; F131-M150 HydrophobicContact CE1-CG 3.48Å; F131-M150 VanDerWaalsContact CE1-CG 3.48Å; F131-M150 HydrophobicContact CE1-SD 4.3Å; F131-M150 HydrophobicContact CE2-CE 3.56Å; F131-M150 HydrophobicContact CE2-CG 4.47Å; F131-M150 HydrophobicContact CG-CE 4.02Å; F131-M150 HydrophobicContact CG-SD 4.46Å; F131-M150 HydrophobicContact CZ-CB 3.97Å; F131-M150 HydrophobicContact CZ-CE 3.84Å; F131-M150 HydrophobicContact CZ-CG 3.78Å; F131-M150 HydrophobicContact CZ-SD 4.49Å; F131-V164 HydrophobicContact CE1-CG1 4.36Å; F131-V164 HydrophobicContact CZ-CG1 3.89Å; F131-I166 HydrophobicContact CE1-CD1 4.26Å; F131-I166 HydrophobicContact CE1-CG1 4.45Å; F131-F185 HydrophobicContact CB-CE2 4.48Å; F131-F185 HydrophobicContact CB-CZ 3.99Å; F131-F185 AromaticContact CD2-CE1 3.93Å; F131-F185 HydrophobicContact CD2-CE1 3.93Å; F131-F185 AromaticContact CD2-CZ 3.46Å; F131-F185 HydrophobicContact CD2-CZ 3.46Å; F131-F185 VanDerWaalsContact CD2-CZ 3.46Å; F131-F185 HydrophobicContact CE2-CE1 4.2Å; F131-F185 HydrophobicContact CE2-CZ 4.13Å; F131-F185 AromaticContact CG-CZ 3.94Å; F131-F185 HydrophobicContact CG-CZ 3.94Å; F131-F192 AromaticContact CD1-CD1 3.31Å; F131-F192 HydrophobicContact CD1-CD1 3.31Å; F131-F192 AromaticContact CD1-CE1 3.34Å; F131-F192 HydrophobicContact CD1-CE1 3.34Å; F131-F192 HydrophobicContact CD1-CG 4.12Å; F131-F192 HydrophobicContact CD1-CZ 4.17Å; F131-F192 HydrophobicContact CD2-CD1 4.36Å; F131-F192 HydrophobicContact CD2-CG 4.48Å; F131-F192 AromaticContact CE1-CD1 3.21Å; F131-F192 HydrophobicContact CE1-CD1 3.21Å; F131-F192 AromaticContact CE1-CE1 3.59Å; F131-F192 HydrophobicContact CE1-CE1 3.59Å; F131-F192 HydrophobicContact CE1-CG 4.16Å; F131-F192 HydrophobicContact CE2-CB 4.32Å; F131-F192 HydrophobicContact CE2-CD1 4.27Å; F131-F192 HydrophobicContact CE2-CG 4.49Å; F131-F192 AromaticContact CG-CD1 3.91Å; F131-F192 HydrophobicContact CG-CD1 3.91Å; F131-F192 HydrophobicContact CG-CE1 4.11Å; F131-F192 HydrophobicContact CG-CG 4.28Å; F131-F192 HydrophobicContact CZ-CB 4.33Å; F131-F192 AromaticContact CZ-CD1 3.73Å; F131-F192 HydrophobicContact CZ-CD1 3.73Å; F131-F192 HydrophobicContact CZ-CG 4.35Å; F131-V194 HydrophobicContact CE2-CG1 3.85Å; F131-V194 HydrophobicContact CZ-CG1 3.93Å
132R91.8Very high86.3Confident69 Ų6967.2 Ų67.226%0.2633%0.33SS..Hα-helixtrans-58.7-38.4177.5-176.6-174.7-70.5117.5-7.4112.7L108 D111 T128 N129 L134 L187L108-R132 PolarHBondContact O-NH2 3.41Å; D111-R132 VanDerWaalsContact CG-NH2 3.3Å; D111-R132 IonicContact OD1-CZ 3.14Å; D111-R132 IonicContact OD1-NE 2.68Å; D111-R132 IonicContact OD1-NH2 2.71Å; D111-R132 PolarHBondContact OD1-NH2 2.87Å; D111-R132 IonicContact OD2-CZ 2.85Å; D111-R132 IonicContact OD2-NE 3.63Å; D111-R132 PolarHBondContact OD2-NE 3.2Å; D111-R132 IonicContact OD2-NH2 3.51Å; D111-R132 PolarHBondContact OD2-NH2 2.87Å; T128-R132 VanDerWaalsContact O-CB 3.28Å; T128-R132 WeakPolarHBondContact O-CB 3.36Å; T128-R132 PolarHBondContact O-N 2.76Å; N129-R132 PolarHBondContact O-N 2.87Å; N129-R132 PolarHBondContact OD1-NH1 2.84Å; R132-L134 VanDerWaalsContact C-N 3.3Å; R132-L134 PolarHBondContact O-N 2.88Å; R132-L187 HydrophobicContact CB-CD2 3.71Å; R132-L187 HydrophobicContact CG-CD2 4.2Å
133R90.7Very high86.7Confident145 Ų14562.9 Ų62.955%0.54731%0.312SS..Hα-helixtrans-67.3-31.6177.2-170.8-174.866.974-4.4112.6N129 E130 F131 Y149N129-R133 WeakPolarHBondContact O-CB 3.41Å; N129-R133 PolarHBondContact O-N 2.95Å; E130-R133 PolarHBondContact O-N 2.79Å; E130-R133 IonicContact OE1-CZ 3.34Å; E130-R133 IonicContact OE1-NE 2.77Å; E130-R133 IonicContact OE1-NH2 3.94Å; E130-R133 PolarHBondContact OE1-NH2 2.98Å; E130-R133 IonicContact OE2-CZ 3.81Å; E130-R133 IonicContact OE2-NE 3.01Å; E130-R133 PolarHBondContact OE2-NE 3.19Å; E130-R133 IonicContact OE2-NH2 3.64Å; F131-R133 VanDerWaalsContact C-N 3.28Å; F131-R133 PolarHBondContact O-N 2.88Å; R133-Y149 PolarHBondContact NH2-OH 2.69Å; R133-Y149 VanDerWaalsContact NH2-OH 3.16Å
134L90.6Very high86.8Confident47 Ų4767.3 Ų67.325%0.24634%0.336CS..Hα-helixtrans-98.2-27.1-171.8-68167.6000113.7E130 F131 R132 T136 L146 Y149 M150E130-L134 HydrophobicContact CG-CD1 4.04Å; E130-L134 WeakPolarHBondContact O-CD1 3.34Å; E130-L134 VanDerWaalsContact O-CG 3.28Å; E130-L134 WeakPolarHBondContact O-CG 3.36Å; E130-L134 PolarHBondContact O-N 3.35Å; F131-L134 PolarHBondContact O-N 2.91Å; F131-L134 VanDerWaalsContact O-N 3.09Å; R132-L134 VanDerWaalsContact C-N 3.3Å; R132-L134 PolarHBondContact O-N 2.88Å; L134-T136 PolarHBondContact O-N 3.25Å; L134-L146 HydrophobicContact CB-CD1 3.6Å; L134-L146 HydrophobicContact CD1-CD1 3.49Å; L134-L146 VanDerWaalsContact CD1-CD1 3.49Å; L134-L146 HydrophobicContact CG-CD1 4.11Å; L134-Y149 HydrophobicContact CD1-CD1 3.46Å; L134-Y149 VanDerWaalsContact CD1-CD1 3.46Å; L134-Y149 HydrophobicContact CD1-CE1 3.38Å; L134-M150 HydrophobicContact CD1-CG 4.46Å; L134-M150 HydrophobicContact CD1-SD 3.69Å
135I87.4Confident86.8Confident21 Ų2174 Ų7411%0.10837%0.365CS..  trans-67.6130-179.7-156.858000109.2F131 F141 L146 L187 Y190 F192F131-I135 WeakPolarHBondContact O-CB 3.45Å; F131-I135 PolarHBondContact O-N 3.06Å; I135-F141 HydrophobicContact CD1-CD2 4.05Å; I135-F141 HydrophobicContact CD1-CE2 3.37Å; I135-F141 HydrophobicContact CD1-CZ 3.73Å; I135-L146 HydrophobicContact CD1-CD2 4.3Å; I135-L187 HydrophobicContact CG2-CD2 3.98Å; I135-Y190 HydrophobicContact CD1-CD2 3.54Å; I135-Y190 HydrophobicContact CD1-CE2 3.67Å; I135-Y190 HydrophobicContact CD1-CG 4.15Å; I135-Y190 HydrophobicContact CG1-CD2 3.81Å; I135-Y190 HydrophobicContact CG1-CE2 4.05Å; I135-F192 HydrophobicContact CD1-CE1 4.47Å; I135-F192 HydrophobicContact CD1-CZ 3.9Å; I135-F192 HydrophobicContact CG1-CZ 4.2Å
136T77.9Confident87.1Confident51 Ų5172 Ų7231%0.31335%0.354SS..  trans-132.1139178-173.60000108.3L134 K138L134-T136 PolarHBondContact O-N 3.25Å; T136-K138 HydrophobicContact CG2-CB 4.07Å; T136-K138 HydrophobicContact CG2-CD 4.5Å; T136-K138 HydrophobicContact CG2-CG 4.48Å; T136-K138 PolarHBondContact O-N 3.39Å; T136-K138 VanDerWaalsContact OG1-CG 3.29Å; T136-K138 WeakPolarHBondContact OG1-CG 3.49Å
137D69.3Low87.3Confident118 Ų11869 Ų6963%0.63134%0.344SS*.  trans-81.816.4175-63.6-30.6000111.9N188D137-N188 PolarHBondContact OD1-ND2 3.39Å
138K73Confident87.3Confident138 Ų13874 Ų7460%0.637%0.367SS*.SBendtrans-75.5148175-68.1175.5-179.4-175.80111.3T136 D140 F141T136-K138 HydrophobicContact CG2-CB 4.07Å; T136-K138 HydrophobicContact CG2-CD 4.5Å; T136-K138 HydrophobicContact CG2-CG 4.48Å; T136-K138 PolarHBondContact O-N 3.39Å; T136-K138 VanDerWaalsContact OG1-CG 3.29Å; T136-K138 WeakPolarHBondContact OG1-CG 3.49Å; K138-D140 WeakPolarHBondContact CB-OD1 3.43Å; K138-D140 PolarHBondContact O-N 3.05Å; K138-F141 PolarHBondContact O-N 3.2Å
139D68.7Low87.4Confident180 Ų18078.5 Ų78.596%0.96338%0.384SS*.THydrogen-bonded Turntrans-63.6-19.4180-67.3-39.4000113.8F141D139-F141 VanDerWaalsContact C-N 3.28Å; D139-F141 PolarHBondContact O-N 3.41Å
140D75.3Confident87.7Confident121 Ų12175 Ų7565%0.64737%0.366SS*.THydrogen-bonded Turntrans-87.915.1179.369.9-23.1000114K138 N142K138-D140 WeakPolarHBondContact CB-OD1 3.43Å; K138-D140 PolarHBondContact O-N 3.05Å; D140-N142 PolarHBondContact O-N 3.48Å
141F81Confident87.7Confident45 Ų4577.9 Ų77.920%0.19738%0.378CS..  trans-55.2107.6177.8176.4-104.7000112.1I135 K138 D139 G143 L146 I166 Y190I135-F141 HydrophobicContact CD1-CD2 4.05Å; I135-F141 HydrophobicContact CD1-CE2 3.37Å; I135-F141 HydrophobicContact CD1-CZ 3.73Å; K138-F141 PolarHBondContact O-N 3.2Å; D139-F141 VanDerWaalsContact C-N 3.28Å; D139-F141 PolarHBondContact O-N 3.41Å; F141-G143 PolarHBondContact O-N 3.42Å; F141-L146 HydrophobicContact CE2-CB 4.47Å; F141-L146 HydrophobicContact CE2-CD2 3.56Å; F141-L146 HydrophobicContact CZ-CD2 3.82Å; F141-I166 HydrophobicContact CE1-CG2 4.38Å; F141-I166 HydrophobicContact CZ-CD1 4.35Å; F141-I166 HydrophobicContact CZ-CG2 4.22Å; F141-Y190 AromaticContact CD1-CE1 3.93Å; F141-Y190 HydrophobicContact CD1-CE1 3.93Å; F141-Y190 AromaticContact CD1-CZ 3.83Å; F141-Y190 WeakPolarHBondContact CD1-OH 3.34Å; F141-Y190 HydrophobicContact CE1-CD1 4.28Å; F141-Y190 AromaticContact CE1-CE1 3.61Å; F141-Y190 HydrophobicContact CE1-CE1 3.61Å; F141-Y190 AromaticContact CE1-CZ 3.87Å; F141-Y190 HydrophobicContact CZ-CE1 4.28Å
142N87.3Confident87.8Confident92 Ų9284 Ų8449%0.49241%0.407SS..  trans-93.889.6175.5-171.4-29.5000110.4D140 L144 K145 L146D140-N142 PolarHBondContact O-N 3.48Å; N142-L144 VanDerWaalsContact C-N 3.28Å; N142-L144 PolarHBondContact O-N 2.83Å; N142-L144 PolarHBondContact OD1-N 3.27Å; N142-K145 HydrophobicContact CB-CB 4.12Å; N142-K145 PolarHBondContact O-N 3.32Å; N142-K145 PolarHBondContact OD1-N 3.27Å; N142-L146 PolarHBondContact O-N 3.03Å; N142-L146 VanDerWaalsContact O-N 3.12Å
143G90Very high88Confident21 Ų2182.2 Ų82.222%0.21640%0.401CS..Hα-helixtrans-57.1-38.2179.900000113.6F141 L146 T147F141-G143 PolarHBondContact O-N 3.42Å; G143-L146 PolarHBondContact O-N 3.26Å; G143-T147 WeakPolarHBondContact O-CG2 3.47Å; G143-T147 PolarHBondContact O-N 3.41Å
144L91.4Very high88.2Confident118 Ų11875.3 Ų75.362%0.61838%0.375SS*.Hα-helixtrans-62.8-50.6179.4-179.362.6000111.2N142 L146 T147 E148N142-L144 VanDerWaalsContact C-N 3.28Å; N142-L144 PolarHBondContact O-N 2.83Å; N142-L144 PolarHBondContact OD1-N 3.27Å; L144-L146 PolarHBondContact O-N 3.03Å; L144-T147 PolarHBondContact O-N 2.67Å; L144-T147 PolarHBondContact O-OG1 3.07Å; L144-E148 PolarHBondContact O-N 3.28Å
145K93.4Very high88.3Confident144 Ų14474.9 Ų74.963%0.62637%0.372SS*.Hα-helixtrans-58.9-37.9177-174177-179179.50111.8N142 Y149N142-K145 HydrophobicContact CB-CB 4.12Å; N142-K145 PolarHBondContact O-N 3.32Å; N142-K145 PolarHBondContact OD1-N 3.27Å; K145-Y149 WeakPolarHBondContact O-CB 3.34Å; K145-Y149 PolarHBondContact O-N 2.96Å
146L94.7Very high88.6Confident15 Ų1582.7 Ų82.78%0.07941%0.406CS..Hα-helixtrans-66.7-42.6175.6-177.856000111.8F131 L134 I135 F141 N142 G143 L144 E148 Y149 M150 I166F131-L146 HydrophobicContact CD1-CD2 4.41Å; L134-L146 HydrophobicContact CB-CD1 3.6Å; L134-L146 HydrophobicContact CD1-CD1 3.49Å; L134-L146 VanDerWaalsContact CD1-CD1 3.49Å; L134-L146 HydrophobicContact CG-CD1 4.11Å; I135-L146 HydrophobicContact CD1-CD2 4.3Å; F141-L146 HydrophobicContact CE2-CB 4.47Å; F141-L146 HydrophobicContact CE2-CD2 3.56Å; F141-L146 HydrophobicContact CZ-CD2 3.82Å; N142-L146 PolarHBondContact O-N 3.03Å; N142-L146 VanDerWaalsContact O-N 3.12Å; G143-L146 PolarHBondContact O-N 3.26Å; L144-L146 PolarHBondContact O-N 3.03Å; L146-E148 VanDerWaalsContact C-N 3.35Å; L146-E148 PolarHBondContact O-N 3.4Å; L146-Y149 PolarHBondContact O-N 2.75Å; L146-M150 HydrophobicContact CD1-CG 3.76Å; L146-M150 HydrophobicContact CD1-SD 4.49Å; L146-M150 HydrophobicContact CG-CG 4.25Å; L146-M150 WeakPolarHBondContact O-CB 3.27Å; L146-M150 VanDerWaalsContact O-CG 3.28Å; L146-M150 WeakPolarHBondContact O-CG 3.33Å; L146-M150 PolarHBondContact O-N 2.89Å; L146-I166 HydrophobicContact CB-CD1 3.94Å; L146-I166 HydrophobicContact CD2-CD1 3.66Å; L146-I166 HydrophobicContact CG-CD1 3.67Å
147T96.6Very high89.1Confident27 Ų2783 Ų8317%0.16641%0.405CS..Hα-helixtrans-60.5-42.8176.458.40000112.6G143 L144 M150 K151 V164 I166G143-T147 WeakPolarHBondContact O-CG2 3.47Å; G143-T147 PolarHBondContact O-N 3.41Å; L144-T147 PolarHBondContact O-N 2.67Å; L144-T147 PolarHBondContact O-OG1 3.07Å; T147-M150 PolarHBondContact O-N 3.45Å; T147-K151 WeakPolarHBondContact O-CB 3.49Å; T147-K151 PolarHBondContact O-N 2.91Å; T147-V164 HydrophobicContact CG2-CB 4.35Å; T147-V164 HydrophobicContact CG2-CG1 3.9Å; T147-I166 HydrophobicContact CG2-CB 4.31Å; T147-I166 HydrophobicContact CG2-CD1 3.64Å; T147-I166 HydrophobicContact CG2-CG1 3.72Å
148E96.4Very high89.9Confident105 Ų10579 Ų7949%0.49138%0.383SS..Hα-helixtrans-64.1-46.4177.8-69.2175.116200111.9L144 L146 M150 K151 Q152L144-E148 PolarHBondContact O-N 3.28Å; L146-E148 VanDerWaalsContact C-N 3.35Å; L146-E148 PolarHBondContact O-N 3.4Å; E148-M150 PolarHBondContact O-N 2.9Å; E148-K151 PolarHBondContact O-N 3.46Å; E148-Q152 WeakPolarHBondContact O-CG 3.32Å; E148-Q152 PolarHBondContact O-N 3.15Å
149Y96.8Very high90.5Very high93 Ų9375.3 Ų75.337%0.36537%0.374SS..Hα-helixtrans-59.5-47.5176.2176.1-85.4000111.2E130 R133 L134 K145 L146 K151 Q152 F153E130-Y149 HydrophobicContact CG-CE1 4.15Å; E130-Y149 VanDerWaalsContact OE1-CE1 3.24Å; E130-Y149 WeakPolarHBondContact OE1-CE1 2.96Å; E130-Y149 PolarHBondContact OE1-OH 3.08Å; R133-Y149 PolarHBondContact NH2-OH 2.69Å; R133-Y149 VanDerWaalsContact NH2-OH 3.16Å; L134-Y149 HydrophobicContact CD1-CD1 3.46Å; L134-Y149 VanDerWaalsContact CD1-CD1 3.46Å; L134-Y149 HydrophobicContact CD1-CE1 3.38Å; K145-Y149 WeakPolarHBondContact O-CB 3.34Å; K145-Y149 PolarHBondContact O-N 2.96Å; L146-Y149 PolarHBondContact O-N 2.75Å; Y149-K151 VanDerWaalsContact C-N 3.34Å; Y149-K151 PolarHBondContact O-N 3.46Å; Y149-Q152 PolarHBondContact O-N 2.83Å; Y149-F153 HydrophobicContact CE1-CB 4.23Å; Y149-F153 WeakPolarHBondContact O-CB 3.46Å; Y149-F153 PolarHBondContact O-N 2.68Å
150M97.7Very high91.2Very high0 Ų068.9 Ų68.90%034%0.343CS..Hα-helixtrans-67.4-36-177.4-73.1-58.6-54.600112.3E130 F131 L134 L146 T147 E148 F153 M154 V164E130-M150 HydrophobicContact CB-CE 4.07Å; E130-M150 HydrophobicContact CB-SD 4.24Å; E130-M150 HydrophobicContact CG-CE 4.03Å; E130-M150 HydrophobicContact CG-SD 3.64Å; F131-M150 HydrophobicContact CD1-CE 4.27Å; F131-M150 HydrophobicContact CD1-CG 3.96Å; F131-M150 HydrophobicContact CD1-SD 4.29Å; F131-M150 HydrophobicContact CD2-CE 3.63Å; F131-M150 HydrophobicContact CE1-CB 4.1Å; F131-M150 HydrophobicContact CE1-CE 4.19Å; F131-M150 HydrophobicContact CE1-CG 3.48Å; F131-M150 VanDerWaalsContact CE1-CG 3.48Å; F131-M150 HydrophobicContact CE1-SD 4.3Å; F131-M150 HydrophobicContact CE2-CE 3.56Å; F131-M150 HydrophobicContact CE2-CG 4.47Å; F131-M150 HydrophobicContact CG-CE 4.02Å; F131-M150 HydrophobicContact CG-SD 4.46Å; F131-M150 HydrophobicContact CZ-CB 3.97Å; F131-M150 HydrophobicContact CZ-CE 3.84Å; F131-M150 HydrophobicContact CZ-CG 3.78Å; F131-M150 HydrophobicContact CZ-SD 4.49Å; L134-M150 HydrophobicContact CD1-CG 4.46Å; L134-M150 HydrophobicContact CD1-SD 3.69Å; L146-M150 HydrophobicContact CD1-CG 3.76Å; L146-M150 HydrophobicContact CD1-SD 4.49Å; L146-M150 HydrophobicContact CG-CG 4.25Å; L146-M150 WeakPolarHBondContact O-CB 3.27Å; L146-M150 VanDerWaalsContact O-CG 3.28Å; L146-M150 WeakPolarHBondContact O-CG 3.33Å; L146-M150 PolarHBondContact O-N 2.89Å; T147-M150 PolarHBondContact O-N 3.45Å; E148-M150 PolarHBondContact O-N 2.9Å; M150-F153 HydrophobicContact CE-CD1 3.94Å; M150-F153 HydrophobicContact CE-CE1 4.42Å; M150-F153 PolarHBondContact O-N 2.85Å; M150-M154 WeakPolarHBondContact O-CE 3.39Å; M150-M154 WeakPolarHBondContact O-CG 3.46Å; M150-M154 PolarHBondContact O-N 3.21Å; M150-V164 HydrophobicContact CB-CG1 4.21Å; M150-V164 HydrophobicContact CB-CG2 4.07Å
151K97Very high92Very high86 Ų8664.1 Ų64.137%0.37432%0.32SS..Hα-helixtrans-57.9-52.2170177179.6-175-57.30110.7T147 E148 Y149 F153 M154 D155 W162 V164T147-K151 WeakPolarHBondContact O-CB 3.49Å; T147-K151 PolarHBondContact O-N 2.91Å; E148-K151 PolarHBondContact O-N 3.46Å; Y149-K151 VanDerWaalsContact C-N 3.34Å; Y149-K151 PolarHBondContact O-N 3.46Å; K151-F153 VanDerWaalsContact C-N 3.32Å; K151-F153 PolarHBondContact O-N 2.97Å; K151-M154 PolarHBondContact O-N 3.41Å; K151-D155 IonicContact NZ-OD1 3.23Å; K151-D155 IonicContact NZ-OD2 3.67Å; K151-D155 PolarHBondContact NZ-OD2 3.17Å; K151-D155 WeakPolarHBondContact O-CB 3.43Å; K151-D155 VanDerWaalsContact O-CG 3.24Å; K151-D155 PolarHBondContact O-N 2.91Å; K151-W162 WeakPolarHBondContact CD-O 3.47Å; K151-W162 VanDerWaalsContact CE-O 3.28Å; K151-W162 WeakPolarHBondContact CE-O 3.43Å; K151-W162 WeakPolarHBondContact CG-O 3.42Å; K151-V164 HydrophobicContact CB-CG2 4.14Å
152Q96.8Very high92.6Very high129 Ų12962.1 Ų62.160%0.60331%0.311SS*.Hα-helixtrans-61.8-39.6179.5-69.9175.33.700112.5E148 Y149 K156E148-Q152 WeakPolarHBondContact O-CG 3.32Å; E148-Q152 PolarHBondContact O-N 3.15Å; Y149-Q152 PolarHBondContact O-N 2.83Å; Q152-K156 WeakPolarHBondContact O-CB 3.34Å; Q152-K156 PolarHBondContact O-N 3.41Å
153F96.4Very high93Very high31 Ų3160 Ų6014%0.13630%0.301CS..Hα-helixtrans-58.8-49.3175171.4-96000111.1K126 E130 Y149 M150 K151 K156 N157 F158K126-F153 HydrophobicContact CD-CZ 4.48Å; K126-F153 HydrophobicContact CG-CE1 4.29Å; K126-F153 HydrophobicContact CG-CZ 3.79Å; E130-F153 HydrophobicContact CB-CD1 4.47Å; E130-F153 HydrophobicContact CB-CE1 3.94Å; E130-F153 HydrophobicContact CB-CE2 4.3Å; E130-F153 HydrophobicContact CB-CZ 3.83Å; E130-F153 HydrophobicContact CG-CD1 4.15Å; E130-F153 HydrophobicContact CG-CD2 3.98Å; E130-F153 HydrophobicContact CG-CE1 4.02Å; E130-F153 HydrophobicContact CG-CE2 3.84Å; E130-F153 HydrophobicContact CG-CG 4.12Å; E130-F153 HydrophobicContact CG-CZ 3.85Å; Y149-F153 HydrophobicContact CE1-CB 4.23Å; Y149-F153 WeakPolarHBondContact O-CB 3.46Å; Y149-F153 PolarHBondContact O-N 2.68Å; M150-F153 HydrophobicContact CE-CD1 3.94Å; M150-F153 HydrophobicContact CE-CE1 4.42Å; M150-F153 PolarHBondContact O-N 2.85Å; K151-F153 VanDerWaalsContact C-N 3.32Å; K151-F153 PolarHBondContact O-N 2.97Å; F153-K156 PolarHBondContact O-N 3.16Å; F153-N157 WeakPolarHBondContact CD2-ND2 3.35Å; F153-N157 WeakPolarHBondContact CE2-ND2 3.28Å; F153-N157 WeakPolarHBondContact O-CB 3.35Å; F153-N157 PolarHBondContact O-N 2.94Å; F153-N157 VanDerWaalsContact O-N 3.08Å; F153-N157 PolarHBondContact O-ND2 3.19Å; F153-F158 HydrophobicContact CE1-CE2 4.44Å
154M94.9Very high93.3Very high0 Ų060 Ų600%030%0.296CS..Hα-helixtrans-71.8-39.3-179.5-66.4-174.4-70.200112.2I127 M150 K151 K156 N157 F158 W162 V164 V194I127-M154 HydrophobicContact CD1-CG 4.3Å; I127-M154 HydrophobicContact CD1-SD 3.7Å; I127-M154 HydrophobicContact CG1-CG 4.14Å; I127-M154 HydrophobicContact CG1-SD 3.92Å; I127-M154 HydrophobicContact CG2-SD 4.5Å; M150-M154 WeakPolarHBondContact O-CE 3.39Å; M150-M154 WeakPolarHBondContact O-CG 3.46Å; M150-M154 PolarHBondContact O-N 3.21Å; K151-M154 PolarHBondContact O-N 3.41Å; M154-K156 PolarHBondContact O-N 3.38Å; M154-N157 PolarHBondContact O-N 3.44Å; M154-N157 VanDerWaalsContact O-N 3.15Å; M154-F158 HydrophobicContact CB-CD2 3.99Å; M154-F158 HydrophobicContact CG-CD2 4.08Å; M154-F158 HydrophobicContact CG-CE2 4.19Å; M154-F158 PolarHBondContact O-N 3.25Å; M154-W162 VanDerWaalsContact C-CD1 3.46Å; M154-W162 HydrophobicContact CB-CB 4.03Å; M154-W162 HydrophobicContact CB-CD2 3.64Å; M154-W162 HydrophobicContact CB-CE3 4.36Å; M154-W162 HydrophobicContact CB-CG 3.43Å; M154-W162 VanDerWaalsContact CB-CG 3.43Å; M154-W162 HydrophobicContact CE-CB 3.95Å; M154-W162 HydrophobicContact CE-CD2 4.26Å; M154-W162 HydrophobicContact CE-CE3 4.06Å; M154-W162 HydrophobicContact CE-CG 4.24Å; M154-W162 HydrophobicContact CG-CD2 4.36Å; M154-W162 HydrophobicContact CG-CG 4.48Å; M154-W162 PolarHBondContact O-NE1 3.44Å; M154-W162 HydrophobicContact SD-CD2 3.93Å; M154-W162 HydrophobicContact SD-CE3 3.65Å; M154-W162 HydrophobicContact SD-CG 4.38Å; M154-W162 HydrophobicContact SD-CZ3 4.14Å; M154-V164 HydrophobicContact CE-CG2 3.17Å; M154-V194 HydrophobicContact CE-CB 4.03Å; M154-V194 HydrophobicContact CE-CG1 3.78Å; M154-V194 HydrophobicContact SD-CB 4.13Å; M154-V194 HydrophobicContact SD-CG1 4.19Å; M154-V194 HydrophobicContact SD-CG2 4.33Å
155D92.4Very high93.6Very high37 Ų3757.8 Ų57.820%0.19829%0.285CS..Hα-helixtrans-55.4-40.4173.9-74.8-19.7000111.3K151 S159 S160 S161 W162K151-D155 IonicContact NZ-OD1 3.23Å; K151-D155 IonicContact NZ-OD2 3.67Å; K151-D155 PolarHBondContact NZ-OD2 3.17Å; K151-D155 WeakPolarHBondContact O-CB 3.43Å; K151-D155 VanDerWaalsContact O-CG 3.24Å; K151-D155 PolarHBondContact O-N 2.91Å; D155-S159 WeakPolarHBondContact CA-O 3.46Å; D155-S159 CarbonylContact O-C 3.27Å; D155-S159 VanDerWaalsContact O-C 3.27Å; D155-S159 WeakPolarHBondContact O-CA 3.4Å; D155-S159 PolarHBondContact O-N 3.36Å; D155-S160 VanDerWaalsContact OD1-CA 3.29Å; D155-S160 WeakPolarHBondContact OD1-CA 3.47Å; D155-S161 PolarHBondContact OD1-N 3.24Å; D155-W162 PolarHBondContact OD1-N 3.13Å; D155-W162 VanDerWaalsContact OD1-N 3.12Å
156K92.9Very high93.7Very high185 Ų18552.3 Ų52.380%0.80426%0.262SS*.Hα-helixtrans-73.3-36.9178.3-177.2178.4178.6-179.40113.4Q152 F153 M154Q152-K156 WeakPolarHBondContact O-CB 3.34Å; Q152-K156 PolarHBondContact O-N 3.41Å; F153-K156 PolarHBondContact O-N 3.16Å; M154-K156 PolarHBondContact O-N 3.38Å
157N88.2Confident93.6Very high58 Ų5852.7 Ų52.731%0.3127%0.265SS..Hα-helixtrans-93.7-25.9-171.9-75.4-81.7000113.9K126 F153 M154K126-N157 WeakPolarHBondContact CE-OD1 3.35Å; K126-N157 PolarHBondContact NZ-OD1 3.02Å; F153-N157 WeakPolarHBondContact CD2-ND2 3.35Å; F153-N157 WeakPolarHBondContact CE2-ND2 3.28Å; F153-N157 WeakPolarHBondContact O-CB 3.35Å; F153-N157 PolarHBondContact O-N 2.94Å; F153-N157 VanDerWaalsContact O-N 3.08Å; F153-N157 PolarHBondContact O-ND2 3.19Å; M154-N157 PolarHBondContact O-N 3.44Å; M154-N157 VanDerWaalsContact O-N 3.15Å
158F87.6Confident93.4Very high34 Ų3459 Ų5915%0.14929%0.29CS..Hα-helixtrans-13621.8-168.7-47.1-59.3000113M123 K126 I127 F153 M154 W162M123-F158 HydrophobicContact CB-CE1 4.19Å; M123-F158 HydrophobicContact CB-CZ 4.31Å; M123-F158 HydrophobicContact CE-CB 3.98Å; M123-F158 HydrophobicContact CE-CD1 3.98Å; M123-F158 HydrophobicContact CE-CD2 4.23Å; M123-F158 HydrophobicContact CE-CG 3.81Å; M123-F158 HydrophobicContact CG-CD1 3.86Å; M123-F158 HydrophobicContact CG-CE1 3.69Å; M123-F158 HydrophobicContact CG-CZ 4.29Å; M123-F158 HydrophobicContact SD-CD1 4.29Å; K126-F158 HydrophobicContact CB-CZ 4.13Å; K126-F158 HydrophobicContact CD-CE1 4.26Å; K126-F158 HydrophobicContact CD-CZ 3.87Å; K126-F158 HydrophobicContact CG-CZ 4.07Å; I127-F158 HydrophobicContact CD1-CD2 4.33Å; I127-F158 HydrophobicContact CD1-CE2 3.8Å; I127-F158 HydrophobicContact CD1-CZ 4.49Å; I127-F158 HydrophobicContact CG1-CE2 3.68Å; I127-F158 HydrophobicContact CG1-CZ 4.29Å; F153-F158 HydrophobicContact CE1-CE2 4.44Å; M154-F158 HydrophobicContact CB-CD2 3.99Å; M154-F158 HydrophobicContact CG-CD2 4.08Å; M154-F158 HydrophobicContact CG-CE2 4.19Å; M154-F158 PolarHBondContact O-N 3.25Å; F158-W162 HydrophobicContact CB-CZ2 3.63Å; F158-W162 HydrophobicContact CD2-CZ2 4.15Å; F158-W162 HydrophobicContact CG-CZ2 4.25Å
159S84Confident93.1Very high61 Ų6156.1 Ų56.143%0.42729%0.289SS..  trans68165.1-169.677.60000114.4D155 W162 K196D155-S159 WeakPolarHBondContact CA-O 3.46Å; D155-S159 CarbonylContact O-C 3.27Å; D155-S159 VanDerWaalsContact O-C 3.27Å; D155-S159 WeakPolarHBondContact O-CA 3.4Å; D155-S159 PolarHBondContact O-N 3.36Å; S159-W162 PolarHBondContact O-NE1 2.96Å; S159-K196 VanDerWaalsContact OG-CE 3.3Å; S159-K196 WeakPolarHBondContact OG-CE 3.16Å; S159-K196 PolarHBondContact OG-NZ 2.76Å
160S85.4Confident92.9Very high45 Ų4557.7 Ų57.732%0.31531%0.314SS..SBendtrans-72171.2-167.754.90000115.4D155 K196 F199D155-S160 VanDerWaalsContact OD1-CA 3.29Å; D155-S160 WeakPolarHBondContact OD1-CA 3.47Å; S160-K196 WeakPolarHBondContact O-CE 3.48Å; S160-F199 WeakPolarHBondContact OG-CE2 3.09Å
161S90.2Very high92.7Very high21 Ų2160.7 Ų60.715%0.14733%0.325CS..  trans83.834.2171.1-51.20000114.4D155 K196 T197 F199D155-S161 PolarHBondContact OD1-N 3.24Å; S161-K196 WeakPolarHBondContact O-CA 3.33Å; S161-T197 WeakPolarHBondContact CB-O 3.48Å; S161-T197 WeakPolarHBondContact O-CG2 3.38Å; S161-T197 PolarHBondContact O-N 3.26Å; S161-F199 WeakPolarHBondContact OG-CD2 3.29Å
162W94.4Very high92.5Very high3 Ų362.5 Ų62.51%0.01135%0.349CS..EExtended strand (participates in β ladder)trans-78.5143.3170.9-69.286.2000112.6M119 M123 K151 M154 D155 F158 S159 C181 W195 K196M119-W162 HydrophobicContact CE-CH2 3.57Å; M119-W162 HydrophobicContact CE-CZ3 3.59Å; M123-W162 HydrophobicContact CE-CH2 3.64Å; M123-W162 HydrophobicContact CE-CZ2 3.73Å; K151-W162 WeakPolarHBondContact CD-O 3.47Å; K151-W162 VanDerWaalsContact CE-O 3.28Å; K151-W162 WeakPolarHBondContact CE-O 3.43Å; K151-W162 WeakPolarHBondContact CG-O 3.42Å; M154-W162 VanDerWaalsContact C-CD1 3.46Å; M154-W162 HydrophobicContact CB-CB 4.03Å; M154-W162 HydrophobicContact CB-CD2 3.64Å; M154-W162 HydrophobicContact CB-CE3 4.36Å; M154-W162 HydrophobicContact CB-CG 3.43Å; M154-W162 VanDerWaalsContact CB-CG 3.43Å; M154-W162 HydrophobicContact CE-CB 3.95Å; M154-W162 HydrophobicContact CE-CD2 4.26Å; M154-W162 HydrophobicContact CE-CE3 4.06Å; M154-W162 HydrophobicContact CE-CG 4.24Å; M154-W162 HydrophobicContact CG-CD2 4.36Å; M154-W162 HydrophobicContact CG-CG 4.48Å; M154-W162 PolarHBondContact O-NE1 3.44Å; M154-W162 HydrophobicContact SD-CD2 3.93Å; M154-W162 HydrophobicContact SD-CE3 3.65Å; M154-W162 HydrophobicContact SD-CG 4.38Å; M154-W162 HydrophobicContact SD-CZ3 4.14Å; D155-W162 PolarHBondContact OD1-N 3.13Å; D155-W162 VanDerWaalsContact OD1-N 3.12Å; F158-W162 HydrophobicContact CB-CZ2 3.63Å; F158-W162 HydrophobicContact CD2-CZ2 4.15Å; F158-W162 HydrophobicContact CG-CZ2 4.25Å; S159-W162 PolarHBondContact O-NE1 2.96Å; W162-C181 HydrophobicContact CH2-CB 4.1Å; W162-W195 CarbonylContact C-O 3.43Å; W162-W195 WeakPolarHBondContact CA-O 3.45Å; W162-K196 HydrophobicContact CD2-CB 4.25Å; W162-K196 HydrophobicContact CE3-CB 4.29Å; W162-K196 HydrophobicContact CH2-CB 4.41Å; W162-K196 HydrophobicContact CZ2-CB 4.37Å; W162-K196 HydrophobicContact CZ2-CD 4.48Å; W162-K196 HydrophobicContact CZ3-CB 4.38Å
163V95.8Very high92.1Very high48 Ų4859.6 Ų59.629%0.29134%0.34SS..EExtended strand (participates in β ladder)trans-113.4136.4168.5-173.30000107.9V194 W195 T197V163-V194 WeakPolarHBondContact O-CA 3.38Å; V163-W195 HydrophobicContact CB-CD2 3.87Å; V163-W195 HydrophobicContact CB-CE3 4.08Å; V163-W195 HydrophobicContact CB-CH2 3.92Å; V163-W195 HydrophobicContact CB-CZ2 3.68Å; V163-W195 HydrophobicContact CB-CZ3 4.09Å; V163-W195 HydrophobicContact CG1-CD2 4.36Å; V163-W195 HydrophobicContact CG1-CE3 4.25Å; V163-W195 HydrophobicContact CG1-CH2 3.3Å; V163-W195 HydrophobicContact CG1-CZ2 3.41Å; V163-W195 VanDerWaalsContact CG1-CZ2 3.41Å; V163-W195 HydrophobicContact CG1-CZ3 3.74Å; V163-W195 HydrophobicContact CG2-CZ2 4.05Å; V163-W195 PolarHBondContact N-O 3.41Å; V163-W195 PolarHBondContact O-N 3.45Å; V163-W195 VanDerWaalsContact O-N 3.15Å; V163-T197 HydrophobicContact CG2-CG2 4.02Å
164V97.2Very high91.7Very high19 Ų1964.9 Ų64.912%0.11538%0.375CS..EExtended strand (participates in β ladder)trans-126.5125.8179.4-1760000109.1F131 T147 M150 K151 M154 I166 V194F131-V164 HydrophobicContact CE1-CG1 4.36Å; F131-V164 HydrophobicContact CZ-CG1 3.89Å; T147-V164 HydrophobicContact CG2-CB 4.35Å; T147-V164 HydrophobicContact CG2-CG1 3.9Å; M150-V164 HydrophobicContact CB-CG1 4.21Å; M150-V164 HydrophobicContact CB-CG2 4.07Å; K151-V164 HydrophobicContact CB-CG2 4.14Å; M154-V164 HydrophobicContact CE-CG2 3.17Å; V164-I166 HydrophobicContact CG1-CG1 4.38Å; V164-V194 HydrophobicContact CG1-CG1 4.18Å; V164-V194 HydrophobicContact CG2-CG1 4.17Å
165L96.3Very high91.2Very high73 Ų7368 Ų6838%0.38239%0.389SS..EExtended strand (participates in β ladder)trans-122.5133.4170.8179.375.1000109.2V167 V193 W195L165-V167 HydrophobicContact CD1-CG2 4.44Å; L165-V167 HydrophobicContact CD2-CG2 3.68Å; L165-V167 HydrophobicContact CG-CG2 3.74Å; L165-V193 HydrophobicContact CB-CB 4.15Å; L165-V193 HydrophobicContact CD2-CB 4.39Å; L165-V193 PolarHBondContact N-O 3.01Å; L165-V193 PolarHBondContact O-N 3.29Å; L165-W195 HydrophobicContact CB-CZ3 4.45Å
166I95.3Very high90.8Very high29 Ų2972 Ų7215%0.14941%0.41CS..EExtended strand (participates in β ladder)trans-118.3121.6173.6-59.5173.4000107.4F131 F141 L146 T147 V164 Y190 F192F131-I166 HydrophobicContact CE1-CD1 4.26Å; F131-I166 HydrophobicContact CE1-CG1 4.45Å; F141-I166 HydrophobicContact CE1-CG2 4.38Å; F141-I166 HydrophobicContact CZ-CD1 4.35Å; F141-I166 HydrophobicContact CZ-CG2 4.22Å; L146-I166 HydrophobicContact CB-CD1 3.94Å; L146-I166 HydrophobicContact CD2-CD1 3.66Å; L146-I166 HydrophobicContact CG-CD1 3.67Å; T147-I166 HydrophobicContact CG2-CB 4.31Å; T147-I166 HydrophobicContact CG2-CD1 3.64Å; T147-I166 HydrophobicContact CG2-CG1 3.72Å; V164-I166 HydrophobicContact CG1-CG1 4.38Å; I166-Y190 HydrophobicContact CG2-CD1 3.79Å; I166-Y190 HydrophobicContact CG2-CG 4.3Å; I166-F192 HydrophobicContact CD1-CD1 4.31Å; I166-F192 HydrophobicContact CD1-CE1 4.02Å; I166-F192 HydrophobicContact CG1-CD1 3.76Å; I166-F192 HydrophobicContact CG1-CE1 3.86Å; I166-F192 HydrophobicContact CG2-CD1 4.34Å; I166-F192 HydrophobicContact CG2-CE1 3.95Å
167V94.2Very high90.4Very high23 Ų2365 Ų6514%0.13938%0.38CS..EExtended strand (participates in β ladder)trans-118.7125-176.5-1750000109.7L165 Y171 Y190 S191L165-V167 HydrophobicContact CD1-CG2 4.44Å; L165-V167 HydrophobicContact CD2-CG2 3.68Å; L165-V167 HydrophobicContact CG-CG2 3.74Å; V167-Y171 HydrophobicContact CB-CD1 4.29Å; V167-Y171 HydrophobicContact CG1-CD1 4.21Å; V167-Y171 HydrophobicContact CG2-CD1 4.23Å; V167-Y171 HydrophobicContact CG2-CG 4.31Å; V167-Y190 CarbonylContact O-C 3.58Å; V167-Y190 WeakPolarHBondContact O-CA 3.41Å; V167-S191 PolarHBondContact N-O 3.01Å; V167-S191 PolarHBondContact O-N 2.92Å
168K91.4Very high90.1Very high158 Ų15864.4 Ų64.469%0.68738%0.376SS*.EExtended strand (participates in β ladder)trans-97.6101.6164.5-172.9174.9-179.4174.60108.4Y190K168-Y190 HydrophobicContact CB-CD1 4.06Å; K168-Y190 HydrophobicContact CB-CE1 3.97Å; K168-Y190 HydrophobicContact CD-CE1 4.15Å; K168-Y190 HydrophobicContact CG-CE1 4.27Å
169G90Very high89.8Confident46 Ų4671 Ų7147%0.47441%0.408SS..SBendtrans120.8-150.5-17600000113
170S91.9Very high89.7Confident126 Ų12672.3 Ų72.388%0.88141%0.41SS*.  trans-97.5150.3-179.5-58.20000111.4
171Y95.1Very high89.9Confident62 Ų6271 Ų7124%0.24340%0.401CS..  trans-140.5164.817565.5-78.7000110.9I115 V167 T173 Q184 V193I115-Y171 HydrophobicContact CD1-CE1 4.44Å; I115-Y171 WeakPolarHBondContact CD1-OH 3.35Å; V167-Y171 HydrophobicContact CB-CD1 4.29Å; V167-Y171 HydrophobicContact CG1-CD1 4.21Å; V167-Y171 HydrophobicContact CG2-CD1 4.23Å; V167-Y171 HydrophobicContact CG2-CG 4.31Å; Y171-T173 HydrophobicContact CD2-CG2 4.06Å; Y171-T173 HydrophobicContact CE2-CG2 4Å; Y171-Q184 PolarHBondContact OH-OE1 3.2Å; Y171-V193 HydrophobicContact CD2-CG2 4.49Å; Y171-V193 HydrophobicContact CE1-CG2 4.33Å; Y171-V193 HydrophobicContact CE2-CG2 3.73Å
172S91.7Very high90Very high125 Ų12570 Ų7087%0.87439%0.394SS*.  trans-140.8138.4168.6-60.30000107
173T89.4Confident90.1Very high67 Ų6769.9 Ų69.941%0.41139%0.393SS..  trans-149.6147.1-173.3-1760000111.8Y171 F175Y171-T173 HydrophobicContact CD2-CG2 4.06Å; Y171-T173 HydrophobicContact CE2-CG2 4Å; T173-F175 HydrophobicContact CG2-CD1 3.79Å; T173-F175 HydrophobicContact CG2-CE1 4Å
174T87.1Confident90.1Very high142 Ų14267.9 Ų67.987%0.87138%0.381SS*.  trans-119.4131.1160.151.30000106.7
175F84.4Confident90Very high65 Ų6567 Ų6729%0.28538%0.375SS..  trans-147.2161-176.861.2-79.5000111.1T173 H177 S182 Q184 W195T173-F175 HydrophobicContact CG2-CD1 3.79Å; T173-F175 HydrophobicContact CG2-CE1 4Å; F175-H177 HydrophobicContact CD2-CB 4.26Å; F175-H177 AromaticContact CD2-ND1 3.47Å; F175-H177 WeakPolarHBondContact CD2-ND1 3.23Å; F175-H177 HydrophobicContact CE2-CB 4.4Å; F175-H177 AromaticContact CE2-CE1 3.68Å; F175-H177 AromaticContact CE2-CG 3.87Å; F175-H177 AromaticContact CE2-ND1 3.26Å; F175-H177 VanDerWaalsContact CE2-ND1 3.26Å; F175-H177 WeakPolarHBondContact CE2-ND1 3.33Å; F175-S182 WeakPolarHBondContact CE2-OG 3.21Å; F175-Q184 VanDerWaalsContact CE1-NE2 3.29Å; F175-Q184 VanDerWaalsContact CZ-NE2 3.3Å; F175-W195 HydrophobicContact CD2-CD2 4.48Å; F175-W195 HydrophobicContact CD2-CG 4.31Å
176L84.6Confident90Very high121 Ų12169.1 Ų69.163%0.63438%0.378SS*.  trans-118.5135.2172.4-177.370.4000108W195 F198L176-W195 PolarHBondContact O-NE1 3.25Å; L176-F198 HydrophobicContact CD1-CE2 4.46Å; L176-F198 HydrophobicContact CD2-CD2 4.08Å; L176-F198 HydrophobicContact CD2-CE2 3.76Å; L176-F198 HydrophobicContact CG-CD2 4.44Å; L176-F198 HydrophobicContact CG-CE2 3.9Å
177H84.8Confident89.9Confident40 Ų4067.8 Ų67.819%0.18537%0.372CS..  trans-145160.7-177.358.3-71.1000110.3Q118 F175 S182 W195 K196Q118-H177 PolarHBondContact OE1-CE1 3.33Å; Q118-H177 VanDerWaalsContact OE1-CE1 3.25Å; Q118-H177 PolarHBondContact OE1-NE2 3.38Å; F175-H177 HydrophobicContact CD2-CB 4.26Å; F175-H177 AromaticContact CD2-ND1 3.47Å; F175-H177 WeakPolarHBondContact CD2-ND1 3.23Å; F175-H177 HydrophobicContact CE2-CB 4.4Å; F175-H177 AromaticContact CE2-CE1 3.68Å; F175-H177 AromaticContact CE2-CG 3.87Å; F175-H177 AromaticContact CE2-ND1 3.26Å; F175-H177 VanDerWaalsContact CE2-ND1 3.26Å; F175-H177 WeakPolarHBondContact CE2-ND1 3.33Å; H177-S182 WeakPolarHBondContact CD2-CB 3.44Å; H177-W195 HydrophobicContact CB-CB 3.83Å; H177-W195 HydrophobicContact CB-CG 4.05Å; H177-K196 VanDerWaalsContact CA-O 3.28Å; H177-K196 WeakPolarHBondContact CA-O 3.24Å
178L81.8Confident89.6Confident45 Ų4569.9 Ų69.924%0.23638%0.382CS..  trans-69.9148.1169-71.2170.5000110.6C181 K196 F198L178-C181 HydrophobicContact CB-CB 4.23Å; L178-C181 PolarHBondContact O-N 3.12Å; L178-K196 HydrophobicContact CD1-CB 4.43Å; L178-K196 HydrophobicContact CD1-CD 3.7Å; L178-K196 HydrophobicContact CD1-CG 3.94Å; L178-K196 PolarHBondContact N-O 3.4Å; L178-F198 HydrophobicContact CD2-CD1 3.57Å; L178-F198 HydrophobicContact CD2-CE1 3.27Å; L178-F198 HydrophobicContact CD2-CE2 4.35Å; L178-F198 HydrophobicContact CD2-CG 4.23Å; L178-F198 HydrophobicContact CD2-CZ 3.7Å; L178-F198 HydrophobicContact CG-CD1 4.42Å; L178-F198 HydrophobicContact CG-CE1 4.38Å
179E80.3Confident89.5Confident172 Ų17267.1 Ų67.180%0.80438%0.375SS*.THydrogen-bonded Turntrans-54.2146.2174.1-66.8-178177.300111.1C181E179-C181 PolarHBondContact O-N 2.96Å; E179-C181 PolarHBondContact O-SG 2.63Å
180D82.6Confident89.7Confident88 Ų8865.9 Ų65.947%0.47136%0.356SS..THydrogen-bonded Turntrans5516.7-179.4-63.6-26.9000116.4Q118 P120Q118-D180 CarbonylContact O-C 3.12Å; Q118-D180 WeakPolarHBondContact O-CA 3.31Å; P120-D180 WeakPolarHBondContact CD-O 3.49Å
181C89.2Confident89.9Confident19 Ų1960.3 Ų60.313%0.12832%0.317CS..  trans-12631.7-176.5-61.40000113.1Q118 W162 L178 E179 W195 K196Q118-C181 PolarHBondContact O-N 3.16Å; Q118-C181 VanDerWaalsContact O-N 3.11Å; W162-C181 HydrophobicContact CH2-CB 4.1Å; L178-C181 HydrophobicContact CB-CB 4.23Å; L178-C181 PolarHBondContact O-N 3.12Å; E179-C181 PolarHBondContact O-N 2.96Å; E179-C181 PolarHBondContact O-SG 2.63Å; C181-W195 CarbonylContact O-C 2.92Å; C181-W195 WeakPolarHBondContact O-CA 3.28Å; C181-K196 HydrophobicContact CB-CB 3.48Å; C181-K196 VanDerWaalsContact CB-CB 3.48Å; C181-K196 HydrophobicContact CB-CD 4.27Å; C181-K196 PolarHBondContact O-N 3.17Å
182S93.7Very high90Very high0 Ų057.3 Ų57.30%031%0.305CS..EExtended strand (participates in β ladder)trans-131.4129.8175.6172.30000111.9Q118 F175 H177Q118-S182 CarbonylContact C-O 3.56Å; Q118-S182 WeakPolarHBondContact CA-O 3.26Å; Q118-S182 PolarHBondContact N-O 2.82Å; Q118-S182 PolarHBondContact O-N 2.71Å; Q118-S182 VanDerWaalsContact O-O 3.07Å; F175-S182 WeakPolarHBondContact CE2-OG 3.21Å; H177-S182 WeakPolarHBondContact CD2-CB 3.44Å
183F95.3Very high90.2Very high0 Ų051.5 Ų51.50%026%0.264CS..EExtended strand (participates in β ladder)trans-146.2129.3-180-175.2-130.6000110.4L108 V114 V116 M119 K124 T128 F185 V194L108-F183 HydrophobicContact CD1-CZ 3.94Å; V114-F183 HydrophobicContact CB-CE2 4.49Å; V114-F183 HydrophobicContact CG1-CE2 3.83Å; V114-F183 HydrophobicContact CG2-CE2 3.93Å; V114-F183 HydrophobicContact CG2-CZ 4.09Å; V116-F183 WeakPolarHBondContact O-CD2 3.15Å; M119-F183 HydrophobicContact CB-CB 4.03Å; M119-F183 HydrophobicContact CE-CB 3.56Å; M119-F183 HydrophobicContact SD-CB 3.73Å; M119-F183 HydrophobicContact SD-CD1 4.38Å; M119-F183 HydrophobicContact SD-CG 4.24Å; K124-F183 HydrophobicContact CB-CE1 4.11Å; K124-F183 HydrophobicContact CB-CE2 4.45Å; K124-F183 HydrophobicContact CB-CZ 4.09Å; K124-F183 HydrophobicContact CD-CD2 3.73Å; K124-F183 HydrophobicContact CD-CE2 3.45Å; K124-F183 VanDerWaalsContact CD-CE2 3.45Å; K124-F183 HydrophobicContact CD-CG 4.41Å; K124-F183 HydrophobicContact CD-CZ 3.92Å; K124-F183 HydrophobicContact CG-CD1 4.1Å; K124-F183 HydrophobicContact CG-CD2 3.83Å; K124-F183 HydrophobicContact CG-CE1 4.06Å; K124-F183 HydrophobicContact CG-CE2 3.8Å; K124-F183 HydrophobicContact CG-CG 4.01Å; K124-F183 HydrophobicContact CG-CZ 3.92Å; T128-F183 WeakPolarHBondContact OG1-CE1 3.38Å; F183-F185 AromaticContact CD1-CD1 3.52Å; F183-F185 HydrophobicContact CD1-CD1 3.52Å; F183-F185 AromaticContact CD1-CE1 3.91Å; F183-F185 HydrophobicContact CD1-CE1 3.91Å; F183-F185 HydrophobicContact CE1-CB 4.18Å; F183-F185 AromaticContact CE1-CD1 3.19Å; F183-F185 HydrophobicContact CE1-CD1 3.19Å; F183-F185 AromaticContact CE1-CE1 3.71Å; F183-F185 HydrophobicContact CE1-CE1 3.71Å; F183-F185 AromaticContact CE1-CG 3.83Å; F183-F185 HydrophobicContact CE1-CG 3.83Å; F183-F185 HydrophobicContact CE2-CB 4.42Å; F183-F185 HydrophobicContact CG-CD1 4.37Å; F183-F185 HydrophobicContact CZ-CB 3.91Å; F183-F185 AromaticContact CZ-CD1 3.83Å; F183-F185 HydrophobicContact CZ-CD1 3.83Å; F183-F185 HydrophobicContact CZ-CG 4.05Å; F183-V194 HydrophobicContact CB-CG2 3.96Å; F183-V194 PolarHBondContact N-O 2.85Å; F183-V194 WeakPolarHBondContact O-CG2 3.39Å; F183-V194 PolarHBondContact O-N 2.69Å
184Q96.3Very high90.6Very high6 Ų648.3 Ų48.33%0.02824%0.244CC..EExtended strand (participates in β ladder)trans-127.2129.5175.6-55.1-175.51900109.2I115 V116 Y171 F175 F192 V193I115-Q184 HydrophobicContact CB-CB 3.92Å; I115-Q184 HydrophobicContact CG2-CB 4.45Å; I115-Q184 PolarHBondContact N-O 3.11Å; V116-Q184 HydrophobicContact CB-CB 3.81Å; V116-Q184 HydrophobicContact CB-CG 3.78Å; V116-Q184 HydrophobicContact CG2-CB 4.13Å; V116-Q184 HydrophobicContact CG2-CG 4.02Å; V116-Q184 PolarHBondContact N-O 2.78Å; V116-Q184 VanDerWaalsContact N-O 3.11Å; V116-Q184 PolarHBondContact O-N 3.42Å; Y171-Q184 PolarHBondContact OH-OE1 3.2Å; F175-Q184 VanDerWaalsContact CE1-NE2 3.29Å; F175-Q184 VanDerWaalsContact CZ-NE2 3.3Å; Q184-F192 VanDerWaalsContact CA-O 3.26Å; Q184-F192 WeakPolarHBondContact CA-O 3.37Å; Q184-V193 HydrophobicContact CB-CG2 4.34Å; Q184-V193 HydrophobicContact CG-CB 4.11Å; Q184-V193 HydrophobicContact CG-CG1 3.82Å; Q184-V193 HydrophobicContact CG-CG2 3.91Å
185F95.6Very high91Very high0 Ų043.4 Ų43.40%021%0.21CC..EExtended strand (participates in β ladder)trans-151159.1179.168.9-80.9000110.6V112 H113 I127 T128 F131 F183 L187 F192V112-F185 HydrophobicContact CG1-CB 4.05Å; V112-F185 HydrophobicContact CG1-CD2 3.95Å; V112-F185 HydrophobicContact CG1-CG 4.29Å; H113-F185 CarbonylContact O-C 3.47Å; H113-F185 VanDerWaalsContact O-CA 3.27Å; H113-F185 WeakPolarHBondContact O-CA 3.33Å; I127-F185 HydrophobicContact CG2-CE1 4.22Å; T128-F185 HydrophobicContact CG2-CD2 4.48Å; T128-F185 HydrophobicContact CG2-CE2 4.16Å; F131-F185 HydrophobicContact CB-CE2 4.48Å; F131-F185 HydrophobicContact CB-CZ 3.99Å; F131-F185 AromaticContact CD2-CE1 3.93Å; F131-F185 HydrophobicContact CD2-CE1 3.93Å; F131-F185 AromaticContact CD2-CZ 3.46Å; F131-F185 HydrophobicContact CD2-CZ 3.46Å; F131-F185 VanDerWaalsContact CD2-CZ 3.46Å; F131-F185 HydrophobicContact CE2-CE1 4.2Å; F131-F185 HydrophobicContact CE2-CZ 4.13Å; F131-F185 AromaticContact CG-CZ 3.94Å; F131-F185 HydrophobicContact CG-CZ 3.94Å; F183-F185 AromaticContact CD1-CD1 3.52Å; F183-F185 HydrophobicContact CD1-CD1 3.52Å; F183-F185 AromaticContact CD1-CE1 3.91Å; F183-F185 HydrophobicContact CD1-CE1 3.91Å; F183-F185 HydrophobicContact CE1-CB 4.18Å; F183-F185 AromaticContact CE1-CD1 3.19Å; F183-F185 HydrophobicContact CE1-CD1 3.19Å; F183-F185 AromaticContact CE1-CE1 3.71Å; F183-F185 HydrophobicContact CE1-CE1 3.71Å; F183-F185 AromaticContact CE1-CG 3.83Å; F183-F185 HydrophobicContact CE1-CG 3.83Å; F183-F185 HydrophobicContact CE2-CB 4.42Å; F183-F185 HydrophobicContact CG-CD1 4.37Å; F183-F185 HydrophobicContact CZ-CB 3.91Å; F183-F185 AromaticContact CZ-CD1 3.83Å; F183-F185 HydrophobicContact CZ-CD1 3.83Å; F183-F185 HydrophobicContact CZ-CG 4.05Å; F185-L187 HydrophobicContact CD2-CB 4.28Å; F185-L187 HydrophobicContact CE2-CB 4.05Å; F185-F192 HydrophobicContact CD1-CB 4.08Å; F185-F192 HydrophobicContact CD2-CD2 4.12Å; F185-F192 HydrophobicContact CE1-CB 3.62Å; F185-F192 HydrophobicContact CE1-CG 4.28Å; F185-F192 HydrophobicContact CE2-CB 4.21Å; F185-F192 AromaticContact CE2-CD2 3.57Å; F185-F192 HydrophobicContact CE2-CD2 3.57Å; F185-F192 HydrophobicContact CE2-CE2 4.32Å; F185-F192 HydrophobicContact CE2-CG 4.1Å; F185-F192 HydrophobicContact CZ-CB 3.69Å; F185-F192 AromaticContact CZ-CD2 3.8Å; F185-F192 HydrophobicContact CZ-CD2 3.8Å; F185-F192 AromaticContact CZ-CG 3.83Å; F185-F192 HydrophobicContact CZ-CG 3.83Å; F185-F192 PolarHBondContact N-O 2.77Å; F185-F192 PolarHBondContact O-N 3.18Å
186R95.2Very high91.4Very high117 Ų11742 Ų4244%0.44220%0.204SC..EExtended strand (participates in β ladder)trans-108.8135.8173.5-173.9178.9179.51570.1109.5V112 H113 I115 N188 Y190V112-R186 WeakPolarHBondContact CA-O 3.41Å; H113-R186 HydrophobicContact CB-CB 4.24Å; H113-R186 PolarHBondContact N-O 2.94Å; H113-R186 PolarHBondContact O-N 3.32Å; I115-R186 HydrophobicContact CD1-CB 4.42Å; R186-N188 PolarHBondContact NE-O 2.85Å; R186-Y190 VanDerWaalsContact CA-O 3.31Å; R186-Y190 WeakPolarHBondContact CA-O 3.4Å; R186-Y190 WeakPolarHBondContact CG-O 3.28Å
187L92.7Very high91.5Very high2 Ų238.9 Ų38.91%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-139128.4171.3176.270.4000107.6D111 V112 R132 I135 F185 N189 Y190 F192D111-L187 HydrophobicContact CB-CD1 3.98Å; D111-L187 WeakPolarHBondContact O-CD1 3.44Å; D111-L187 VanDerWaalsContact OD2-CD1 3.24Å; D111-L187 WeakPolarHBondContact OD2-CD1 3.24Å; V112-L187 HydrophobicContact CG2-CD1 4.24Å; R132-L187 HydrophobicContact CB-CD2 3.71Å; R132-L187 HydrophobicContact CG-CD2 4.2Å; I135-L187 HydrophobicContact CG2-CD2 3.98Å; F185-L187 HydrophobicContact CD2-CB 4.28Å; F185-L187 HydrophobicContact CE2-CB 4.05Å; L187-N189 PolarHBondContact O-N 3.44Å; L187-Y190 PolarHBondContact N-O 2.74Å; L187-Y190 PolarHBondContact O-N 3.34Å; L187-Y190 VanDerWaalsContact O-N 3.16Å; L187-F192 HydrophobicContact CB-CD2 4.32Å; L187-F192 HydrophobicContact CB-CE2 3.85Å
188N88.8Confident91.3Very high67 Ų6742.1 Ų42.136%0.35820%0.204SC..THydrogen-bonded Turntrans51.5-127.3-167.2-60.1-1.2000111.6D137 R186D137-N188 PolarHBondContact OD1-ND2 3.39Å; R186-N188 PolarHBondContact NE-O 2.85Å
189N90.2Very high90.6Very high100 Ų10047.2 Ų47.254%0.53522%0.224SC..THydrogen-bonded Turntrans-94.412.3-178.8-68.8-39.6000113.7L187L187-N189 PolarHBondContact O-N 3.44Å
190Y94.1Very high89.3Confident20 Ų2042 Ų428%0.07822%0.216CC..EExtended strand (participates in β ladder)trans-119.2136.1-174.8-60-81.5000111.3I135 F141 I166 V167 K168 R186 L187 F192I135-Y190 HydrophobicContact CD1-CD2 3.54Å; I135-Y190 HydrophobicContact CD1-CE2 3.67Å; I135-Y190 HydrophobicContact CD1-CG 4.15Å; I135-Y190 HydrophobicContact CG1-CD2 3.81Å; I135-Y190 HydrophobicContact CG1-CE2 4.05Å; F141-Y190 AromaticContact CD1-CE1 3.93Å; F141-Y190 HydrophobicContact CD1-CE1 3.93Å; F141-Y190 AromaticContact CD1-CZ 3.83Å; F141-Y190 WeakPolarHBondContact CD1-OH 3.34Å; F141-Y190 HydrophobicContact CE1-CD1 4.28Å; F141-Y190 AromaticContact CE1-CE1 3.61Å; F141-Y190 HydrophobicContact CE1-CE1 3.61Å; F141-Y190 AromaticContact CE1-CZ 3.87Å; F141-Y190 HydrophobicContact CZ-CE1 4.28Å; I166-Y190 HydrophobicContact CG2-CD1 3.79Å; I166-Y190 HydrophobicContact CG2-CG 4.3Å; V167-Y190 CarbonylContact O-C 3.58Å; V167-Y190 WeakPolarHBondContact O-CA 3.41Å; K168-Y190 HydrophobicContact CB-CD1 4.06Å; K168-Y190 HydrophobicContact CB-CE1 3.97Å; K168-Y190 HydrophobicContact CD-CE1 4.15Å; K168-Y190 HydrophobicContact CG-CE1 4.27Å; R186-Y190 VanDerWaalsContact CA-O 3.31Å; R186-Y190 WeakPolarHBondContact CA-O 3.4Å; R186-Y190 WeakPolarHBondContact CG-O 3.28Å; L187-Y190 PolarHBondContact N-O 2.74Å; L187-Y190 PolarHBondContact O-N 3.34Å; L187-Y190 VanDerWaalsContact O-N 3.16Å; Y190-F192 HydrophobicContact CG-CZ 4.31Å
191S95.4Very high86.8Confident8 Ų847.9 Ų47.96%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-97128.7164.5-51.90000108.5V167V167-S191 PolarHBondContact N-O 3.01Å; V167-S191 PolarHBondContact O-N 2.92Å
192F96.8Very high84.2Confident0 Ų058.3 Ų58.30%029%0.293CS..EExtended strand (participates in β ladder)trans-106.5123.6177.5-59.5-83.6000107.6F131 I135 I166 Q184 F185 L187 Y190F131-F192 AromaticContact CD1-CD1 3.31Å; F131-F192 HydrophobicContact CD1-CD1 3.31Å; F131-F192 AromaticContact CD1-CE1 3.34Å; F131-F192 HydrophobicContact CD1-CE1 3.34Å; F131-F192 HydrophobicContact CD1-CG 4.12Å; F131-F192 HydrophobicContact CD1-CZ 4.17Å; F131-F192 HydrophobicContact CD2-CD1 4.36Å; F131-F192 HydrophobicContact CD2-CG 4.48Å; F131-F192 AromaticContact CE1-CD1 3.21Å; F131-F192 HydrophobicContact CE1-CD1 3.21Å; F131-F192 AromaticContact CE1-CE1 3.59Å; F131-F192 HydrophobicContact CE1-CE1 3.59Å; F131-F192 HydrophobicContact CE1-CG 4.16Å; F131-F192 HydrophobicContact CE2-CB 4.32Å; F131-F192 HydrophobicContact CE2-CD1 4.27Å; F131-F192 HydrophobicContact CE2-CG 4.49Å; F131-F192 AromaticContact CG-CD1 3.91Å; F131-F192 HydrophobicContact CG-CD1 3.91Å; F131-F192 HydrophobicContact CG-CE1 4.11Å; F131-F192 HydrophobicContact CG-CG 4.28Å; F131-F192 HydrophobicContact CZ-CB 4.33Å; F131-F192 AromaticContact CZ-CD1 3.73Å; F131-F192 HydrophobicContact CZ-CD1 3.73Å; F131-F192 HydrophobicContact CZ-CG 4.35Å; I135-F192 HydrophobicContact CD1-CE1 4.47Å; I135-F192 HydrophobicContact CD1-CZ 3.9Å; I135-F192 HydrophobicContact CG1-CZ 4.2Å; I166-F192 HydrophobicContact CD1-CD1 4.31Å; I166-F192 HydrophobicContact CD1-CE1 4.02Å; I166-F192 HydrophobicContact CG1-CD1 3.76Å; I166-F192 HydrophobicContact CG1-CE1 3.86Å; I166-F192 HydrophobicContact CG2-CD1 4.34Å; I166-F192 HydrophobicContact CG2-CE1 3.95Å; Q184-F192 VanDerWaalsContact CA-O 3.26Å; Q184-F192 WeakPolarHBondContact CA-O 3.37Å; F185-F192 HydrophobicContact CD1-CB 4.08Å; F185-F192 HydrophobicContact CD2-CD2 4.12Å; F185-F192 HydrophobicContact CE1-CB 3.62Å; F185-F192 HydrophobicContact CE1-CG 4.28Å; F185-F192 HydrophobicContact CE2-CB 4.21Å; F185-F192 AromaticContact CE2-CD2 3.57Å; F185-F192 HydrophobicContact CE2-CD2 3.57Å; F185-F192 HydrophobicContact CE2-CE2 4.32Å; F185-F192 HydrophobicContact CE2-CG 4.1Å; F185-F192 HydrophobicContact CZ-CB 3.69Å; F185-F192 AromaticContact CZ-CD2 3.8Å; F185-F192 HydrophobicContact CZ-CD2 3.8Å; F185-F192 AromaticContact CZ-CG 3.83Å; F185-F192 HydrophobicContact CZ-CG 3.83Å; F185-F192 PolarHBondContact N-O 2.77Å; F185-F192 PolarHBondContact O-N 3.18Å; L187-F192 HydrophobicContact CB-CD2 4.32Å; L187-F192 HydrophobicContact CB-CE2 3.85Å; Y190-F192 HydrophobicContact CG-CZ 4.31Å
193V97Very high83.8Confident2 Ų261.3 Ų61.31%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-120112177175.70000106.2L165 Y171 Q184 W195L165-V193 HydrophobicContact CB-CB 4.15Å; L165-V193 HydrophobicContact CD2-CB 4.39Å; L165-V193 PolarHBondContact N-O 3.01Å; L165-V193 PolarHBondContact O-N 3.29Å; Y171-V193 HydrophobicContact CD2-CG2 4.49Å; Y171-V193 HydrophobicContact CE1-CG2 4.33Å; Y171-V193 HydrophobicContact CE2-CG2 3.73Å; Q184-V193 HydrophobicContact CB-CG2 4.34Å; Q184-V193 HydrophobicContact CG-CB 4.11Å; Q184-V193 HydrophobicContact CG-CG1 3.82Å; Q184-V193 HydrophobicContact CG-CG2 3.91Å; V193-W195 HydrophobicContact CG1-CE3 3.76Å; V193-W195 HydrophobicContact CG1-CZ3 3.67Å
194V97.2Very high83.2Confident0 Ų064.5 Ų64.50%032%0.324CS..EExtended strand (participates in β ladder)trans-122135.5177.5-60.40000109.8M119 I127 F131 M154 V163 V164 F183M119-V194 HydrophobicContact CE-CG2 4.29Å; I127-V194 HydrophobicContact CG2-CG2 4.33Å; F131-V194 HydrophobicContact CE2-CG1 3.85Å; F131-V194 HydrophobicContact CZ-CG1 3.93Å; M154-V194 HydrophobicContact CE-CB 4.03Å; M154-V194 HydrophobicContact CE-CG1 3.78Å; M154-V194 HydrophobicContact SD-CB 4.13Å; M154-V194 HydrophobicContact SD-CG1 4.19Å; M154-V194 HydrophobicContact SD-CG2 4.33Å; V163-V194 WeakPolarHBondContact O-CA 3.38Å; V164-V194 HydrophobicContact CG1-CG1 4.18Å; V164-V194 HydrophobicContact CG2-CG1 4.17Å; F183-V194 HydrophobicContact CB-CG2 3.96Å; F183-V194 PolarHBondContact N-O 2.85Å; F183-V194 WeakPolarHBondContact O-CG2 3.39Å; F183-V194 PolarHBondContact O-N 2.69Å
195W95.6Very high82.4Confident40 Ų4067.7 Ų67.715%0.15234%0.34CS..EExtended strand (participates in β ladder)trans-151.1160170.971.9100.6000111.3W162 V163 L165 F175 L176 H177 C181 V193W162-W195 CarbonylContact C-O 3.43Å; W162-W195 WeakPolarHBondContact CA-O 3.45Å; V163-W195 HydrophobicContact CB-CD2 3.87Å; V163-W195 HydrophobicContact CB-CE3 4.08Å; V163-W195 HydrophobicContact CB-CH2 3.92Å; V163-W195 HydrophobicContact CB-CZ2 3.68Å; V163-W195 HydrophobicContact CB-CZ3 4.09Å; V163-W195 HydrophobicContact CG1-CD2 4.36Å; V163-W195 HydrophobicContact CG1-CE3 4.25Å; V163-W195 HydrophobicContact CG1-CH2 3.3Å; V163-W195 HydrophobicContact CG1-CZ2 3.41Å; V163-W195 VanDerWaalsContact CG1-CZ2 3.41Å; V163-W195 HydrophobicContact CG1-CZ3 3.74Å; V163-W195 HydrophobicContact CG2-CZ2 4.05Å; V163-W195 PolarHBondContact N-O 3.41Å; V163-W195 PolarHBondContact O-N 3.45Å; V163-W195 VanDerWaalsContact O-N 3.15Å; L165-W195 HydrophobicContact CB-CZ3 4.45Å; F175-W195 HydrophobicContact CD2-CD2 4.48Å; F175-W195 HydrophobicContact CD2-CG 4.31Å; L176-W195 PolarHBondContact O-NE1 3.25Å; H177-W195 HydrophobicContact CB-CB 3.83Å; H177-W195 HydrophobicContact CB-CG 4.05Å; C181-W195 CarbonylContact O-C 2.92Å; C181-W195 WeakPolarHBondContact O-CA 3.28Å; V193-W195 HydrophobicContact CG1-CE3 3.76Å; V193-W195 HydrophobicContact CG1-CZ3 3.67Å
196K92.9Very high81.6Confident35 Ų3571.7 Ų71.715%0.15236%0.36CS..EExtended strand (participates in β ladder)trans-98133171.1-163.3-175.4176.6-166.70110.1S159 S160 S161 W162 H177 L178 C181S159-K196 VanDerWaalsContact OG-CE 3.3Å; S159-K196 WeakPolarHBondContact OG-CE 3.16Å; S159-K196 PolarHBondContact OG-NZ 2.76Å; S160-K196 WeakPolarHBondContact O-CE 3.48Å; S161-K196 WeakPolarHBondContact O-CA 3.33Å; W162-K196 HydrophobicContact CD2-CB 4.25Å; W162-K196 HydrophobicContact CE3-CB 4.29Å; W162-K196 HydrophobicContact CH2-CB 4.41Å; W162-K196 HydrophobicContact CZ2-CB 4.37Å; W162-K196 HydrophobicContact CZ2-CD 4.48Å; W162-K196 HydrophobicContact CZ3-CB 4.38Å; H177-K196 VanDerWaalsContact CA-O 3.28Å; H177-K196 WeakPolarHBondContact CA-O 3.24Å; L178-K196 HydrophobicContact CD1-CB 4.43Å; L178-K196 HydrophobicContact CD1-CD 3.7Å; L178-K196 HydrophobicContact CD1-CG 3.94Å; L178-K196 PolarHBondContact N-O 3.4Å; C181-K196 HydrophobicContact CB-CB 3.48Å; C181-K196 VanDerWaalsContact CB-CB 3.48Å; C181-K196 HydrophobicContact CB-CD 4.27Å; C181-K196 PolarHBondContact O-N 3.17Å
197T87.1Confident80.8Confident55 Ų5568.9 Ų68.934%0.33736%0.355SS..PPolyproline II helixtrans-99.7157174.1-179.90000110.9S161 V163S161-T197 WeakPolarHBondContact CB-O 3.48Å; S161-T197 WeakPolarHBondContact O-CG2 3.38Å; S161-T197 PolarHBondContact O-N 3.26Å; V163-T197 HydrophobicContact CG2-CG2 4.02Å
198F78.9Confident80Confident109 Ų10973.3 Ų73.348%0.47838%0.378SS..PPolyproline II helixtrans-53.1143.3163.7-60.4-86.4000109.6L176 L178 G200L176-F198 HydrophobicContact CD1-CE2 4.46Å; L176-F198 HydrophobicContact CD2-CD2 4.08Å; L176-F198 HydrophobicContact CD2-CE2 3.76Å; L176-F198 HydrophobicContact CG-CD2 4.44Å; L176-F198 HydrophobicContact CG-CE2 3.9Å; L178-F198 HydrophobicContact CD2-CD1 3.57Å; L178-F198 HydrophobicContact CD2-CE1 3.27Å; L178-F198 HydrophobicContact CD2-CE2 4.35Å; L178-F198 HydrophobicContact CD2-CG 4.23Å; L178-F198 HydrophobicContact CD2-CZ 3.7Å; L178-F198 HydrophobicContact CG-CD1 4.42Å; L178-F198 HydrophobicContact CG-CE1 4.38Å; F198-G200 PolarHBondContact O-N 3.48Å; F198-G200 VanDerWaalsContact O-N 3.14Å
199F68.1Low79.4Confident152 Ų15273.8 Ų73.867%0.66738%0.379SS*.PPolyproline II helixtrans-57120.5170.1-116-82.2000108.5S160 S161 F201S160-F199 WeakPolarHBondContact OG-CE2 3.09Å; S161-F199 WeakPolarHBondContact OG-CD2 3.29Å; F199-F201 PolarHBondContact O-N 3.09Å
200G51.8Low78.6Confident62 Ų6271.8 Ų71.864%0.63937%0.367SS*.PPolyproline II helixtrans-66.5119.9165.600000108F198 N202F198-G200 PolarHBondContact O-N 3.48Å; F198-G200 VanDerWaalsContact O-N 3.14Å; G200-N202 PolarHBondContact O-N 3.24Å
201F31.6Very low77.3Confident211 Ų21176.1 Ų76.193%0.92539%0.391SS*.  trans-55.5107.8159.9-68.3-86.5000107.7F199F199-F201 PolarHBondContact O-N 3.09Å
202N34.8Very low75.6Confident239 Ų23982.3 Ų82.3100%1.27842%0.422SS*.  trans-121.70154.3-85.7-12.9000106.9G200G200-N202 PolarHBondContact O-N 3.24Å

Retrieved 202 of 202 residues in 345.3 ms (Link to these results)

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