A0A087YGI7_POEFO Loading...

Cyclin-dependent kinase inhibitor 3

May play a role in cell cycle regulation. Dual specificity phosphatase active toward substrates containing either phosphotyrosine or phosphoserine residues.

AlphaFold DB , UniProt , Accession A0A087YGI7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 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
1M42.6Very low43.9Very low246 Ų246157.1 Ų157.1100%1.21280%0.797SS**  0100.50-78.3166.5160.300108.6
2R39Very low44.5Very low244 Ų244157.8 Ų157.892%0.92180%0.795SS**  trans-111.5110162.1-80.6-175.5-145.4171.96.9105.7T4R2-T4 PolarHBondContact O-N 2.83Å
3K40.9Very low44.6Very low200 Ų200155.7 Ų155.787%0.8779%0.788SS**  trans-78.2101.9165.7-76.3-177.9174.2-176.80105.8E5K3-E5 PolarHBondContact O-N 3.37Å
4T42.5Very low45.3Very low131 Ų131154.2 Ų154.280%0.80479%0.79SS**  trans-78.1107158.732.30000106.1R2 F6R2-T4 PolarHBondContact O-N 2.83Å; T4-F6 PolarHBondContact O-N 3.32Å
5E44.9Very low46.2Very low183 Ų183150.7 Ų150.786%0.85577%0.769SS**  trans-63.9118.3171.6-67.8-179.1146.500107.8K3 D7K3-E5 PolarHBondContact O-N 3.37Å; E5-D7 PolarHBondContact O-N 3.14Å
6F45.6Very low47.8Very low192 Ų192152.9 Ų152.984%0.84278%0.775SS**  trans-81.292.5174.7-167.4-93.8000106T4 S8T4-F6 PolarHBondContact O-N 3.32Å; F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 2.78Å
7D44.1Very low49.5Very low149 Ų149148.1 Ų148.180%0.79775%0.749SS**  trans-72.690.1172.3-171.711000108.3E5 S9E5-D7 PolarHBondContact O-N 3.14Å; D7-S9 PolarHBondContact O-N 3.02Å; D7-S9 VanDerWaalsContact O-N 3.1Å
8S46.2Very low51.3Low86 Ų86144.3 Ų144.360%0.60173%0.728SS**  trans-81.172.6171-1770000108.1F6 S10F6-S8 VanDerWaalsContact C-N 3.31Å; F6-S8 PolarHBondContact O-N 2.78Å; S8-S10 PolarHBondContact O-N 3.39Å
9S47.2Very low52.9Low78 Ų78143.2 Ų143.255%0.54572%0.724SS.*  trans-65.292.7161.4-168.30000107.2D7 D11D7-S9 PolarHBondContact O-N 3.02Å; D7-S9 VanDerWaalsContact O-N 3.1Å; S9-D11 PolarHBondContact O-N 3.34Å; S9-D11 PolarHBondContact OG-OD1 3.38Å
10S47.5Very low54.6Low93 Ų93139.8 Ų139.865%0.6571%0.711SS**  trans-69.387.5161.252.40000106.4S8 E12S8-S10 PolarHBondContact O-N 3.39Å; S10-E12 PolarHBondContact O-N 3.28Å
11D42.9Very low56.1Low126 Ų126137.5 Ų137.567%0.67471%0.705SS**  trans-62.583.8160.7-68.2-18.6000106.1S9 D13S9-D11 PolarHBondContact O-N 3.34Å; S9-D11 PolarHBondContact OG-OD1 3.38Å; D11-D13 PolarHBondContact O-N 2.79Å
12E50.9Low58.3Low165 Ų165126.2 Ų126.277%0.77165%0.65SS**  trans-63.694.7154.7-69.3-166174.400104.5S10 V14S10-E12 PolarHBondContact O-N 3.28Å; E12-V14 WeakPolarHBondContact O-CG2 3.43Å; E12-V14 PolarHBondContact O-N 2.99Å
13D45.9Very low60.8Low131 Ų131121 Ų12170%0.70164%0.636SS**  trans-50.1100.2163.9-74.2-50.3000106.5D11 E15D11-D13 PolarHBondContact O-N 2.79Å; D13-E15 HydrophobicContact CB-CG 4.01Å; D13-E15 PolarHBondContact O-N 3.12Å
14V53.6Low63.3Low135 Ų135112.2 Ų112.282%0.81860%0.598SS**  trans-73.367.6171.2-171.80000105.8E12 E16E12-V14 WeakPolarHBondContact O-CG2 3.43Å; E12-V14 PolarHBondContact O-N 2.99Å; V14-E16 PolarHBondContact O-N 3.06Å
15E59.3Low65.9Low101 Ų101106.5 Ų106.547%0.47256%0.563SS.*PPolyproline II helixtrans-60.7122.2172.1-65.7-174.6166.500107D13 E17 R52D13-E15 HydrophobicContact CB-CG 4.01Å; D13-E15 PolarHBondContact O-N 3.12Å; E15-E17 PolarHBondContact O-N 3.46Å; E15-E17 VanDerWaalsContact O-N 3.13Å; E15-R52 IonicContact OE1-NH2 2.9Å; E15-R52 IonicContact OE2-CZ 2.96Å; E15-R52 IonicContact OE2-NE 3.22Å; E15-R52 PolarHBondContact OE2-NE 3.27Å; E15-R52 IonicContact OE2-NH2 2.96Å; E15-R52 PolarHBondContact OE2-NH2 3.03Å
16E70.9Confident68.4Low186 Ų186100.1 Ų100.187%0.86953%0.532SS*.PPolyproline II helixtrans-54.8118-173.5-68.5-176.8170.400111.3V14V14-E16 PolarHBondContact O-N 3.06Å
17E77.5Confident70.9Confident71 Ų7191.2 Ų91.233%0.33249%0.492SS..PPolyproline II helixtrans-71.8136.3177.6-64.8-166.6148.300110.9E15 L19 K47 S54E15-E17 PolarHBondContact O-N 3.46Å; E15-E17 VanDerWaalsContact O-N 3.13Å; E17-L19 PolarHBondContact O-N 3.16Å; E17-L19 VanDerWaalsContact O-N 3.14Å; E17-K47 IonicContact OE1-NZ 3.8Å; E17-K47 PolarHBondContact OE1-NZ 3.27Å; E17-S54 WeakPolarHBondContact OE2-CB 3.44Å
18Q82.3Confident73.4Confident81 Ų8186.2 Ų86.238%0.37947%0.468SS..PPolyproline II helixtrans-63.6117.4174.8-173.1174.2-11.500110T20 R52Q18-T20 VanDerWaalsContact C-N 3.34Å; Q18-T20 HydrophobicContact CG-CG2 4.31Å; Q18-T20 WeakPolarHBondContact CG-OG1 3.47Å; Q18-T20 PolarHBondContact NE2-OG1 3.07Å; Q18-R52 WeakPolarHBondContact CB-O 3.48Å; Q18-R52 PolarHBondContact N-O 2.89Å
19L81.6Confident75.8Confident122 Ų12282.2 Ų82.264%0.63944%0.44SS*.  trans-82.4-11.6-177.6-55.5179.9000113.5E17 R57E17-L19 PolarHBondContact O-N 3.16Å; E17-L19 VanDerWaalsContact O-N 3.14Å; L19-R57 PolarHBondContact O-NH2 3.37Å
20T86.4Confident78.1Confident75 Ų7582.3 Ų82.346%0.4644%0.441SS..SBendtrans-68.6138-176.269.40000110.8Q18 R53Q18-T20 VanDerWaalsContact C-N 3.34Å; Q18-T20 HydrophobicContact CG-CG2 4.31Å; Q18-T20 WeakPolarHBondContact CG-OG1 3.47Å; Q18-T20 PolarHBondContact NE2-OG1 3.07Å; T20-R53 PolarHBondContact O-NH1 2.71Å; T20-R53 PolarHBondContact O-NH2 3.14Å
21P86.5Confident80.2Confident93 Ų9381.7 Ų81.760%0.60443%0.429SS*.PPolyproline II helixtrans-55.1152.8176.8-25.634.4000112.9H23P21-H23 PolarHBondContact O-N 3.01Å
22L89.4Confident82.7Confident9 Ų976.1 Ų76.15%0.04740%0.4CS..PPolyproline II helixtrans-68.5119.3174.2179.770.1000108.7M24 C41 P44 R53 D58 L62L22-M24 PolarHBondContact O-N 3.07Å; L22-C41 HydrophobicContact CD2-CB 4.41Å; L22-C41 HydrophobicContact CG-CB 4.47Å; L22-P44 HydrophobicContact CD2-CB 4.32Å; L22-P44 HydrophobicContact CD2-CG 3.79Å; L22-R53 VanDerWaalsContact CA-NH2 3.34Å; L22-R53 VanDerWaalsContact N-NH2 3.12Å; L22-D58 HydrophobicContact CB-CB 4.41Å; L22-D58 HydrophobicContact CD2-CB 4.25Å; L22-L62 HydrophobicContact CD2-CD1 4.41Å; L22-L62 HydrophobicContact CD2-CD2 3.84Å; L22-L62 HydrophobicContact CD2-CG 4.13Å
23H90.6Very high84.7Confident134 Ų13477.6 Ų77.662%0.6241%0.407SS*.  trans-74.1114.9178.3-177.4-74.3000110.8P21P21-H23 PolarHBondContact O-N 3.01Å
24M94.5Very high86.9Confident16 Ų1672.6 Ų72.68%0.07938%0.382CS..  trans-99.3127.4172-172.459.766.500110.4L22 W26 C41 L62 Q65 M132L22-M24 PolarHBondContact O-N 3.07Å; M24-W26 HydrophobicContact CG-CD2 4.04Å; M24-W26 HydrophobicContact CG-CG 4.4Å; M24-W26 HydrophobicContact CG-CH2 4.32Å; M24-W26 HydrophobicContact CG-CZ2 3.53Å; M24-W26 VanDerWaalsContact CG-NE1 3.33Å; M24-W26 HydrophobicContact SD-CZ2 4.49Å; M24-C41 HydrophobicContact CE-CB 3.76Å; M24-C41 HydrophobicContact SD-CB 3.85Å; M24-L62 HydrophobicContact CE-CD2 3.11Å; M24-Q65 VanDerWaalsContact CB-OE1 3.25Å; M24-M132 HydrophobicContact CE-CB 4.26Å; M24-M132 HydrophobicContact CE-CE 3.97Å; M24-M132 HydrophobicContact CE-SD 3.56Å; M24-M132 VanDerWaalsContact CE-SD 3.56Å; M24-M132 HydrophobicContact SD-CB 4.28Å
25S96.2Very high88.8Confident11 Ų1170.9 Ų70.98%0.07738%0.376CS..EExtended strand (participates in β ladder)trans-101.4113.1176.7-1540000108.9G39 I40 H169S25-G39 CarbonylContact O-C 3.52Å; S25-G39 WeakPolarHBondContact O-CA 3.49Å; S25-I40 WeakPolarHBondContact CB-O 3.4Å; S25-I40 PolarHBondContact N-O 3.48Å; S25-I40 PolarHBondContact O-N 2.9Å; S25-H169 WeakPolarHBondContact CB-NE2 3.25Å; S25-H169 PolarHBondContact OG-CD2 3.47Å; S25-H169 VanDerWaalsContact OG-CD2 3.25Å; S25-H169 PolarHBondContact OG-CE1 3Å; S25-H169 VanDerWaalsContact OG-CE1 3.28Å; S25-H169 PolarHBondContact OG-NE2 2.85Å; S25-H169 PolarHBondContact OG-O 3.14Å
26W97.6Very high90.6Very high49 Ų4967.7 Ų67.719%0.18636%0.361CS..EExtended strand (participates in β ladder)trans-95.5103.2-178.2-68.1102.8000110M24 P28 Y37 V67 R130 H169M24-W26 HydrophobicContact CG-CD2 4.04Å; M24-W26 HydrophobicContact CG-CG 4.4Å; M24-W26 HydrophobicContact CG-CH2 4.32Å; M24-W26 HydrophobicContact CG-CZ2 3.53Å; M24-W26 VanDerWaalsContact CG-NE1 3.33Å; M24-W26 HydrophobicContact SD-CZ2 4.49Å; W26-P28 VanDerWaalsContact O-CD 3.26Å; W26-P28 WeakPolarHBondContact O-CD 3.25Å; W26-Y37 HydrophobicContact CB-CD1 4.14Å; W26-V67 HydrophobicContact CH2-CG2 3.85Å; W26-V67 HydrophobicContact CZ2-CG2 3.97Å; W26-R130 HydrophobicContact CH2-CG 3.47Å; W26-R130 VanDerWaalsContact CH2-CG 3.47Å; W26-R130 HydrophobicContact CZ2-CG 4.3Å; W26-R130 HydrophobicContact CZ3-CG 3.8Å; W26-H169 PolarHBondContact O-CE1 3.32Å; W26-H169 VanDerWaalsContact O-CE1 3.22Å
27L97.4Very high91.8Very high4 Ų465 Ų652%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-75.4113177.2178.266.7000108.9L29 Y37 L38 A146 L150 I165 L166 H169L27-L29 HydrophobicContact CD2-CD2 4.18Å; L27-L29 HydrophobicContact CG-CD2 4.3Å; L27-L29 PolarHBondContact O-N 3.1Å; L27-Y37 VanDerWaalsContact O-CA 3.29Å; L27-Y37 WeakPolarHBondContact O-CA 3.28Å; L27-L38 PolarHBondContact N-O 3.32Å; L27-L38 PolarHBondContact O-N 3.11Å; L27-A146 HydrophobicContact CD2-CB 4.39Å; L27-L150 HydrophobicContact CD2-CD1 4.28Å; L27-L150 HydrophobicContact CD2-CD2 4.39Å; L27-L150 HydrophobicContact CD2-CG 4.47Å; L27-I165 HydrophobicContact CD1-CG2 3.83Å; L27-L166 HydrophobicContact CD2-CD1 4.32Å; L27-H169 HydrophobicContact CD1-CB 4.29Å; L27-H169 PolarHBondContact N-NE2 3.27Å
28P97Very high92.8Very high45 Ų4561.6 Ų61.629%0.29233%0.328SS..EExtended strand (participates in β ladder)trans-65.6128.6173.126.6-32.9000109.7W26 S30 Y37W26-P28 VanDerWaalsContact O-CD 3.26Å; W26-P28 WeakPolarHBondContact O-CD 3.25Å; P28-S30 VanDerWaalsContact C-N 3.29Å; P28-Y37 HydrophobicContact CB-CD1 3.99Å; P28-Y37 HydrophobicContact CB-CE1 3.65Å
29L96.8Very high93.6Very high1 Ų157.7 Ų57.71%0.00531%0.31CS..G310 helixtrans-92.28176.3-55.2178.6000112.4L27 I31 V32 E33 C34 Q36 L38 L125 L149 L150 L153L27-L29 HydrophobicContact CD2-CD2 4.18Å; L27-L29 HydrophobicContact CG-CD2 4.3Å; L27-L29 PolarHBondContact O-N 3.1Å; L29-I31 PolarHBondContact O-N 3.24Å; L29-V32 HydrophobicContact CB-CG2 4.13Å; L29-V32 CarbonylContact O-C 3.42Å; L29-V32 WeakPolarHBondContact O-CG2 3.48Å; L29-V32 PolarHBondContact O-N 2.8Å; L29-E33 PolarHBondContact O-N 3.4Å; L29-C34 CarbonylContact C-O 3.56Å; L29-C34 HydrophobicContact CB-CB 3.67Å; L29-C34 PolarHBondContact O-N 2.96Å; L29-C34 VanDerWaalsContact O-O 3.09Å; L29-Q36 WeakPolarHBondContact CB-O 3.45Å; L29-Q36 HydrophobicContact CD1-CB 4.45Å; L29-Q36 PolarHBondContact N-O 3.01Å; L29-L38 HydrophobicContact CD1-CB 4.46Å; L29-L38 HydrophobicContact CD2-CB 4.37Å; L29-L125 HydrophobicContact CD1-CD1 3.54Å; L29-L125 HydrophobicContact CD1-CD2 3.93Å; L29-L125 HydrophobicContact CD1-CG 4.4Å; L29-L149 HydrophobicContact CD1-CD2 4.35Å; L29-L150 HydrophobicContact CD2-CD2 3.8Å; L29-L153 HydrophobicContact CD1-CD1 4.41Å
30S95.3Very high94.4Very high81 Ų8151.9 Ų51.957%0.56628%0.279SS*.G310 helixtrans-63.1-24.5177.259.40000112.4P28 V32 E33 C34P28-S30 VanDerWaalsContact C-N 3.29Å; S30-V32 PolarHBondContact O-N 3.07Å; S30-E33 PolarHBondContact O-N 2.7Å; S30-E33 VanDerWaalsContact O-N 3.16Å; S30-C34 VanDerWaalsContact CA-O 3.29Å; S30-C34 WeakPolarHBondContact CA-O 3.48Å; S30-C34 PolarHBondContact N-O 3.3Å
31I92.4Very high94.9Very high79 Ų7948.3 Ų48.341%0.40526%0.257SS..G310 helixtrans-61.2-18.9171.755.3159.8000113.4L29 L150 M157 I165L29-I31 PolarHBondContact O-N 3.24Å; I31-L150 HydrophobicContact CD1-CD1 4Å; I31-L150 HydrophobicContact CD1-CD2 3.66Å; I31-L150 HydrophobicContact CD1-CG 4.47Å; I31-L150 HydrophobicContact CG1-CD2 4.2Å; I31-M157 HydrophobicContact CD1-CE 4.3Å; I31-I165 HydrophobicContact CD1-CD1 3.63Å; I31-I165 HydrophobicContact CD1-CG1 4.32Å; I31-I165 HydrophobicContact CD1-CG2 3.87Å
32V93.9Very high95.4Very high9 Ų945.7 Ų45.76%0.05524%0.244CC..G310 helixtrans-12533.5177.1-62.80000110.5L29 S30 C34 L150 L153 M157L29-V32 HydrophobicContact CB-CG2 4.13Å; L29-V32 CarbonylContact O-C 3.42Å; L29-V32 WeakPolarHBondContact O-CG2 3.48Å; L29-V32 PolarHBondContact O-N 2.8Å; S30-V32 PolarHBondContact O-N 3.07Å; V32-C34 PolarHBondContact O-N 3.37Å; V32-C34 VanDerWaalsContact O-N 3.07Å; V32-L150 HydrophobicContact CG1-CB 4.38Å; V32-L150 HydrophobicContact CG1-CD2 3.92Å; V32-L150 HydrophobicContact CG2-CD2 3.86Å; V32-L153 HydrophobicContact CB-CB 3.97Å; V32-L153 HydrophobicContact CG2-CB 3.77Å; V32-L153 HydrophobicContact CG2-CD1 3.8Å; V32-L153 HydrophobicContact CG2-CG 4.46Å; V32-M157 HydrophobicContact CG1-CE 3.54Å; V32-M157 HydrophobicContact CG1-SD 4.26Å
33E92.9Very high95.8Very high197 Ų19745.4 Ų45.492%0.92124%0.242SC*.THydrogen-bonded Turntrans59.519.7175-55.8-175.8171.800115.2L29 S30L29-E33 PolarHBondContact O-N 3.4Å; S30-E33 PolarHBondContact O-N 2.7Å; S30-E33 VanDerWaalsContact O-N 3.16Å
34C92.7Very high96.1Very high26 Ų2639 Ų3918%0.17621%0.212CC..  trans-105.6127.4174.6-1790000110.4L29 S30 V32 Q36 L153L29-C34 CarbonylContact C-O 3.56Å; L29-C34 HydrophobicContact CB-CB 3.67Å; L29-C34 PolarHBondContact O-N 2.96Å; L29-C34 VanDerWaalsContact O-O 3.09Å; S30-C34 VanDerWaalsContact CA-O 3.29Å; S30-C34 WeakPolarHBondContact CA-O 3.48Å; S30-C34 PolarHBondContact N-O 3.3Å; V32-C34 PolarHBondContact O-N 3.37Å; V32-C34 VanDerWaalsContact O-N 3.07Å; C34-Q36 PolarHBondContact O-N 3.24Å; C34-L153 HydrophobicContact CB-CD1 4.45Å
35S93.8Very high96.2Very high99 Ų9938.3 Ų38.369%0.69221%0.209SC*.  trans-74.7-4.4-177.858.50000114.6
36Q96.5Very high96.3Very high34 Ų3438 Ų3816%0.15921%0.207CC..  trans-87.7175.1-176.4-58.7-63.5-58.600112.4L29 C34 L125 N128L29-Q36 WeakPolarHBondContact CB-O 3.45Å; L29-Q36 HydrophobicContact CD1-CB 4.45Å; L29-Q36 PolarHBondContact N-O 3.01Å; C34-Q36 PolarHBondContact O-N 3.24Å; Q36-L125 HydrophobicContact CB-CD2 3.71Å; Q36-L125 HydrophobicContact CG-CB 4.27Å; Q36-L125 HydrophobicContact CG-CD2 4.2Å; Q36-N128 PolarHBondContact NE2-OD1 2.83Å
37Y97.6Very high96.1Very high128 Ų12838.9 Ų38.950%0.50221%0.212SC..EExtended strand (participates in β ladder)trans-125.2145.8173.7-65.2-103.2000109.7W26 L27 P28W26-Y37 HydrophobicContact CB-CD1 4.14Å; L27-Y37 VanDerWaalsContact O-CA 3.29Å; L27-Y37 WeakPolarHBondContact O-CA 3.28Å; P28-Y37 HydrophobicContact CB-CD1 3.99Å; P28-Y37 HydrophobicContact CB-CE1 3.65Å
38L98.4Very high95.9Very high0 Ų041.8 Ų41.80%022%0.223CC..EExtended strand (participates in β ladder)trans-107123.7169.7-179.365.2000110.1L27 L29 L121 T131 V133 A146 L149L27-L38 PolarHBondContact N-O 3.32Å; L27-L38 PolarHBondContact O-N 3.11Å; L29-L38 HydrophobicContact CD1-CB 4.46Å; L29-L38 HydrophobicContact CD2-CB 4.37Å; L38-L121 HydrophobicContact CD1-CD2 3.91Å; L38-T131 HydrophobicContact CD1-CG2 4.4Å; L38-V133 HydrophobicContact CD1-CG1 4.36Å; L38-V133 HydrophobicContact CD2-CG1 4.12Å; L38-V133 HydrophobicContact CG-CG1 4.32Å; L38-A146 HydrophobicContact CD2-CB 3.81Å; L38-L149 HydrophobicContact CD2-CD2 3.87Å
39G98.3Very high95.7Very high0 Ų046.6 Ų46.60%024%0.24CC..EExtended strand (participates in β ladder)trans-79.5136.4175.400000112.4S25 T131 M132 V133S25-G39 CarbonylContact O-C 3.52Å; S25-G39 WeakPolarHBondContact O-CA 3.49Å; G39-T131 PolarHBondContact N-O 3Å; G39-M132 CarbonylContact O-C 3.49Å; G39-M132 WeakPolarHBondContact O-CA 3.24Å; G39-M132 WeakPolarHBondContact O-CB 3.48Å; G39-V133 PolarHBondContact O-N 3.18Å
40I98.3Very high95.3Very high0 Ų054.1 Ų54.10%028%0.28CS..EExtended strand (participates in β ladder)trans-129.3127.8171.6-55.8175.1000109.2S25 V133 A146 L166 R170S25-I40 WeakPolarHBondContact CB-O 3.4Å; S25-I40 PolarHBondContact N-O 3.48Å; S25-I40 PolarHBondContact O-N 2.9Å; I40-V133 HydrophobicContact CG1-CG1 4.07Å; I40-A146 HydrophobicContact CD1-CB 3.79Å; I40-L166 HydrophobicContact CD1-CD1 3.97Å; I40-R170 HydrophobicContact CD1-CG 4.34Å; I40-R170 HydrophobicContact CG2-CG 4.47Å
41C96.9Very high95.2Very high0 Ų052.8 Ų52.80%027%0.268CS..EExtended strand (participates in β ladder)trans-140.8171.7172.974.30000112.6L22 M24 M132 H134 G138L22-C41 HydrophobicContact CD2-CB 4.41Å; L22-C41 HydrophobicContact CG-CB 4.47Å; M24-C41 HydrophobicContact CE-CB 3.76Å; M24-C41 HydrophobicContact SD-CB 3.85Å; C41-M132 WeakPolarHBondContact SG-CE 3.44Å; C41-H134 WeakPolarHBondContact O-CB 3.29Å; C41-G138 WeakPolarHBondContact O-CA 3.37Å
42A96.8Very high95.2Very high38 Ų3851.7 Ų51.731%0.31426%0.259SS..PPolyproline II helixtrans-78.9170.816700000110.7P44 Y136A42-P44 WeakPolarHBondContact O-CD 3.27Å; A42-Y136 WeakPolarHBondContact CA-O 3.42Å
43L97.9Very high95.2Very high2 Ų252.3 Ų52.31%0.0126%0.26CS..PPolyproline II helixtrans-58.8116-176.7-177.961.6000112.7C46 L79 Y82 V84 L87 C135 Y136L43-C46 HydrophobicContact CB-CB 4.17Å; L43-C46 HydrophobicContact CD2-CB 4.33Å; L43-C46 HydrophobicContact CG-CB 4.27Å; L43-C46 VanDerWaalsContact O-CB 3.29Å; L43-C46 WeakPolarHBondContact O-CB 3.45Å; L43-C46 PolarHBondContact O-N 3.36Å; L43-L79 HydrophobicContact CD1-CD2 4.03Å; L43-Y82 HydrophobicContact CD2-CD2 3.47Å; L43-Y82 VanDerWaalsContact CD2-CD2 3.47Å; L43-Y82 HydrophobicContact CD2-CE2 4.47Å; L43-Y82 HydrophobicContact CD2-CG 3.78Å; L43-V84 HydrophobicContact CD1-CG2 4.24Å; L43-V84 HydrophobicContact CD2-CG2 3.92Å; L43-V84 HydrophobicContact CG-CG2 4.19Å; L43-L87 HydrophobicContact CD1-CD2 3.61Å; L43-C135 PolarHBondContact N-O 3.08Å; L43-Y136 HydrophobicContact CB-CD2 4.49Å; L43-Y136 HydrophobicContact CD2-CD2 4.28Å; L43-Y136 PolarHBondContact N-O 3.15Å
44P97.8Very high95.4Very high0 Ų043.9 Ų43.90%022%0.223CC..THydrogen-bonded Turntrans-61.5138175.1-31.645000112.2L22 A42 C46 D58 L62 L87 Y91L22-P44 HydrophobicContact CD2-CB 4.32Å; L22-P44 HydrophobicContact CD2-CG 3.79Å; A42-P44 WeakPolarHBondContact O-CD 3.27Å; P44-C46 PolarHBondContact O-N 2.98Å; P44-D58 HydrophobicContact CB-CB 3.8Å; P44-L62 HydrophobicContact CG-CD1 4.06Å; P44-L87 HydrophobicContact CB-CD1 4.34Å; P44-Y91 VanDerWaalsContact CG-OH 3.26Å; P44-Y91 WeakPolarHBondContact CG-OH 3.23Å
45G96.8Very high95.5Very high1 Ų143.9 Ų43.91%0.0122%0.221CC..THydrogen-bonded Turntrans71.28179.500000115.6K47 L55 D58 V84G45-K47 PolarHBondContact O-N 3.35Å; G45-L55 VanDerWaalsContact CA-CA 3.42Å; G45-D58 PolarHBondContact N-OD2 3.45Å; G45-V84 VanDerWaalsContact C-CG1 3.44Å; G45-V84 WeakPolarHBondContact O-CG1 3.35Å
46C96.5Very high95.6Very high6 Ų642.9 Ų42.94%0.04121%0.206CC..  trans-52.3129.9-178-179.60000112.3L43 P44 V51 R53L43-C46 HydrophobicContact CB-CB 4.17Å; L43-C46 HydrophobicContact CD2-CB 4.33Å; L43-C46 HydrophobicContact CG-CB 4.27Å; L43-C46 VanDerWaalsContact O-CB 3.29Å; L43-C46 WeakPolarHBondContact O-CB 3.45Å; L43-C46 PolarHBondContact O-N 3.36Å; P44-C46 PolarHBondContact O-N 2.98Å; C46-V51 HydrophobicContact CB-CG1 4.22Å; C46-R53 PolarHBondContact O-N 2.88Å
47K94.9Very high95.6Very high66 Ų6646.9 Ų46.929%0.28722%0.219SC..EExtended strand (participates in β ladder)trans-124.391.9169.4-59.9-174.8177.5-163.40109.7E17 G45 V51 R53 Y82 R83E17-K47 IonicContact OE1-NZ 3.8Å; E17-K47 PolarHBondContact OE1-NZ 3.27Å; G45-K47 PolarHBondContact O-N 3.35Å; K47-V51 CarbonylContact C-O 3.56Å; K47-V51 WeakPolarHBondContact CA-O 3.34Å; K47-R53 WeakPolarHBondContact CE-O 3.39Å; K47-Y82 PolarHBondContact N-O 3.43Å; K47-Y82 VanDerWaalsContact N-O 3.1Å; K47-R83 HydrophobicContact CB-CB 4.15Å; K47-R83 HydrophobicContact CB-CG 4.41Å
48Y93.3Very high95.5Very high65 Ų6541 Ų4126%0.25520%0.197SC..EExtended strand (participates in β ladder)trans-155.8139.6-178.2-167-110.8000112.5D50 V51 R81 Y82 Y136Y48-D50 PolarHBondContact O-N 3.49Å; Y48-V51 PolarHBondContact N-O 2.96Å; Y48-V51 WeakPolarHBondContact O-CB 3.32Å; Y48-V51 PolarHBondContact O-N 3Å; Y48-R81 PolarHBondContact OH-NH2 3.43Å; Y48-Y82 HydrophobicContact CD1-CD1 4.18Å; Y48-Y82 AromaticContact CD1-CE1 3.84Å; Y48-Y82 HydrophobicContact CD1-CE1 3.84Å; Y48-Y82 HydrophobicContact CD2-CD1 4.01Å; Y48-Y82 HydrophobicContact CD2-CE1 4.18Å; Y48-Y82 HydrophobicContact CE1-CE1 4.18Å; Y48-Y82 AromaticContact CG-CD1 3.72Å; Y48-Y82 HydrophobicContact CG-CD1 3.72Å; Y48-Y82 AromaticContact CG-CE1 3.84Å; Y48-Y82 HydrophobicContact CG-CE1 3.84Å; Y48-Y136 WeakPolarHBondContact CD1-OH 3.32Å
49K91.4Very high95.5Very high147 Ų14741 Ų4164%0.63920%0.197SC*.THydrogen-bonded Turntrans51-114.9-175.1-66.9178.9173.4-174.60111.7R52K49-R52 PolarHBondContact O-NH1 3.22Å; K49-R52 PolarHBondContact O-NH2 3.38Å
50D89.9Confident95.4Very high159 Ų15943.1 Ų43.185%0.8521%0.208SC*.THydrogen-bonded Turntrans-96.1-0.1179.9-47.6-57.3000112.7Y48Y48-D50 PolarHBondContact O-N 3.49Å
51V91.4Very high95.3Very high52 Ų5245.8 Ų45.832%0.31522%0.22SC..EExtended strand (participates in β ladder)trans-93.6124.5178.8-178.10000109.3C46 K47 Y48 R53C46-V51 HydrophobicContact CB-CG1 4.22Å; K47-V51 CarbonylContact C-O 3.56Å; K47-V51 WeakPolarHBondContact CA-O 3.34Å; Y48-V51 PolarHBondContact N-O 2.96Å; Y48-V51 WeakPolarHBondContact O-CB 3.32Å; Y48-V51 PolarHBondContact O-N 3Å; V51-R53 HydrophobicContact CG1-CG 3.87Å
52R93.4Very high95.3Very high57 Ų5745.8 Ų45.822%0.21522%0.221CC..EExtended strand (participates in β ladder)trans-135.999.6174.4-67.4-61.6-177.7-71.2-18.5109.9E15 Q18 K49E15-R52 IonicContact OE1-NH2 2.9Å; E15-R52 IonicContact OE2-CZ 2.96Å; E15-R52 IonicContact OE2-NE 3.22Å; E15-R52 PolarHBondContact OE2-NE 3.27Å; E15-R52 IonicContact OE2-NH2 2.96Å; E15-R52 PolarHBondContact OE2-NH2 3.03Å; Q18-R52 WeakPolarHBondContact CB-O 3.48Å; Q18-R52 PolarHBondContact N-O 2.89Å; K49-R52 PolarHBondContact O-NH1 3.22Å; K49-R52 PolarHBondContact O-NH2 3.38Å
53R94.8Very high95.2Very high21 Ų2149.1 Ų49.18%0.07923%0.228CC..  trans-114.8153.1-180-55.5-169.966.474.68.9111.7T20 L22 C46 K47 V51 D58T20-R53 PolarHBondContact O-NH1 2.71Å; T20-R53 PolarHBondContact O-NH2 3.14Å; L22-R53 VanDerWaalsContact CA-NH2 3.34Å; L22-R53 VanDerWaalsContact N-NH2 3.12Å; C46-R53 PolarHBondContact O-N 2.88Å; K47-R53 WeakPolarHBondContact CE-O 3.39Å; V51-R53 HydrophobicContact CG1-CG 3.87Å; R53-D58 WeakPolarHBondContact CB-OD2 3.38Å; R53-D58 WeakPolarHBondContact CD-OD2 3.41Å; R53-D58 IonicContact CZ-OD1 2.65Å; R53-D58 IonicContact CZ-OD2 3.94Å; R53-D58 IonicContact NE-OD1 2.79Å; R53-D58 PolarHBondContact NE-OD1 3.47Å; R53-D58 IonicContact NE-OD2 3.19Å; R53-D58 PolarHBondContact NE-OD2 3.15Å; R53-D58 IonicContact NH2-OD1 3.85Å; R53-D58 PolarHBondContact NH2-OD1 3.08Å; R53-D58 IonicContact NH2-OD2 3.2Å
54S95.6Very high95.1Very high21 Ų2155.1 Ų55.115%0.14726%0.26CS..  trans-88.2117.9171.8-177.70000109.5E17 Q56 R57 D58E17-S54 WeakPolarHBondContact OE2-CB 3.44Å; S54-Q56 PolarHBondContact O-N 3.41Å; S54-R57 PolarHBondContact O-N 2.99Å; S54-D58 PolarHBondContact O-N 2.91Å
55L95.8Very high95Very high25 Ų2557.2 Ų57.213%0.13127%0.27CS..Hα-helixtrans-54.6-44.4176.4174.957.6000111.2G45 R57 D58 V59 V84 L87 V90G45-L55 VanDerWaalsContact CA-CA 3.42Å; L55-R57 PolarHBondContact O-N 3.07Å; L55-D58 PolarHBondContact O-N 3.33Å; L55-V59 HydrophobicContact CD1-CG2 3.74Å; L55-V59 HydrophobicContact CG-CG2 4.43Å; L55-V59 WeakPolarHBondContact O-CB 3.48Å; L55-V59 WeakPolarHBondContact O-CG2 3.33Å; L55-V59 PolarHBondContact O-N 3.07Å; L55-V84 HydrophobicContact CD2-CG1 4.48Å; L55-L87 HydrophobicContact CD1-CD1 3.34Å; L55-V90 HydrophobicContact CD2-CB 4.34Å; L55-V90 HydrophobicContact CD2-CG2 3.96Å; L55-V90 HydrophobicContact CG-CG1 4.37Å
56Q95.7Very high95Very high79 Ų7958.8 Ų58.837%0.36929%0.286SS..Hα-helixtrans-65.7-44-175.3-152.562.766.200112.1S54 V59 D60 R94S54-Q56 PolarHBondContact O-N 3.41Å; Q56-V59 PolarHBondContact O-N 3.2Å; Q56-D60 WeakPolarHBondContact O-CB 3.29Å; Q56-D60 PolarHBondContact O-N 3.22Å; Q56-R94 VanDerWaalsContact CD-NH2 3.33Å; Q56-R94 VanDerWaalsContact NE2-CZ 3.28Å
57R95.3Very high95.1Very high117 Ų11758.9 Ų58.944%0.44229%0.286SS..Hα-helixtrans-67.7-40.3179.4-64.2178.161.3-178.8-3112L19 S54 L55 D60 E61L19-R57 PolarHBondContact O-NH2 3.37Å; S54-R57 PolarHBondContact O-N 2.99Å; L55-R57 PolarHBondContact O-N 3.07Å; R57-D60 PolarHBondContact O-N 2.97Å; R57-E61 WeakPolarHBondContact O-CB 3.49Å; R57-E61 PolarHBondContact O-N 2.97Å
58D97.3Very high95.3Very high6 Ų659 Ų593%0.03229%0.288CS..Hα-helixtrans-64.8-44.5178-75.2-9.4000111.2L22 P44 G45 R53 S54 L55 D60 E61 L62L22-D58 HydrophobicContact CB-CB 4.41Å; L22-D58 HydrophobicContact CD2-CB 4.25Å; P44-D58 HydrophobicContact CB-CB 3.8Å; G45-D58 PolarHBondContact N-OD2 3.45Å; R53-D58 WeakPolarHBondContact CB-OD2 3.38Å; R53-D58 WeakPolarHBondContact CD-OD2 3.41Å; R53-D58 IonicContact CZ-OD1 2.65Å; R53-D58 IonicContact CZ-OD2 3.94Å; R53-D58 IonicContact NE-OD1 2.79Å; R53-D58 PolarHBondContact NE-OD1 3.47Å; R53-D58 IonicContact NE-OD2 3.19Å; R53-D58 PolarHBondContact NE-OD2 3.15Å; R53-D58 IonicContact NH2-OD1 3.85Å; R53-D58 PolarHBondContact NH2-OD1 3.08Å; R53-D58 IonicContact NH2-OD2 3.2Å; S54-D58 PolarHBondContact O-N 2.91Å; L55-D58 PolarHBondContact O-N 3.33Å; D58-D60 VanDerWaalsContact C-N 3.3Å; D58-D60 PolarHBondContact O-N 2.98Å; D58-E61 WeakPolarHBondContact O-CB 3.4Å; D58-E61 PolarHBondContact O-N 3.07Å; D58-L62 WeakPolarHBondContact O-CG 3.31Å; D58-L62 PolarHBondContact O-N 3.46Å
59V97.5Very high95.5Very high0 Ų056.3 Ų56.30%028%0.278CS..Hα-helixtrans-65.4-35.8177.4176.80000111.5L55 Q56 L62 K63 V90 Y91 R94 F96L55-V59 HydrophobicContact CD1-CG2 3.74Å; L55-V59 HydrophobicContact CG-CG2 4.43Å; L55-V59 WeakPolarHBondContact O-CB 3.48Å; L55-V59 WeakPolarHBondContact O-CG2 3.33Å; L55-V59 PolarHBondContact O-N 3.07Å; Q56-V59 PolarHBondContact O-N 3.2Å; V59-L62 WeakPolarHBondContact O-CB 3.44Å; V59-L62 PolarHBondContact O-N 2.94Å; V59-K63 PolarHBondContact O-N 3.48Å; V59-V90 HydrophobicContact CB-CG1 4.32Å; V59-V90 HydrophobicContact CG1-CG1 4.19Å; V59-V90 HydrophobicContact CG2-CG1 4.01Å; V59-Y91 HydrophobicContact CG1-CD1 4.05Å; V59-Y91 HydrophobicContact CG1-CE1 4.43Å; V59-Y91 HydrophobicContact CG2-CD1 3.98Å; V59-Y91 HydrophobicContact CG2-CE1 3.78Å; V59-R94 HydrophobicContact CG1-CB 3.94Å; V59-R94 HydrophobicContact CG1-CG 3.74Å; V59-F96 HydrophobicContact CG1-CD2 4.28Å; V59-F96 HydrophobicContact CG1-CE2 3.48Å; V59-F96 VanDerWaalsContact CG1-CE2 3.48Å; V59-F96 HydrophobicContact CG1-CZ 4.23Å
60D95.7Very high95.9Very high44 Ų4449.3 Ų49.324%0.23525%0.247CC..Hα-helixtrans-68-37.6175.6-71.5-13.1000112Q56 R57 D58 K63 N64 R94Q56-D60 WeakPolarHBondContact O-CB 3.29Å; Q56-D60 PolarHBondContact O-N 3.22Å; R57-D60 PolarHBondContact O-N 2.97Å; D58-D60 VanDerWaalsContact C-N 3.3Å; D58-D60 PolarHBondContact O-N 2.98Å; D60-K63 PolarHBondContact O-N 2.93Å; D60-N64 WeakPolarHBondContact O-CB 3.46Å; D60-N64 PolarHBondContact O-N 2.92Å; D60-N64 PolarHBondContact O-ND2 2.88Å; D60-N64 PolarHBondContact O-OD1 2.97Å; D60-R94 VanDerWaalsContact CG-NH1 3.28Å; D60-R94 IonicContact OD1-CZ 3.86Å; D60-R94 IonicContact OD1-NE 3.34Å; D60-R94 PolarHBondContact OD1-NE 3.16Å; D60-R94 IonicContact OD1-NH1 3.46Å; D60-R94 PolarHBondContact OD1-NH1 3.36Å; D60-R94 IonicContact OD1-NH2 3.99Å; D60-R94 PolarHBondContact OD1-NH2 3.29Å; D60-R94 VanDerWaalsContact OD1-NH2 3.14Å; D60-R94 IonicContact OD2-CZ 3.91Å; D60-R94 IonicContact OD2-NH1 2.6Å; D60-R94 PolarHBondContact OD2-NH1 2.89Å; D60-R94 IonicContact OD2-NH2 3.48Å; D60-R94 PolarHBondContact OD2-NH2 3.04Å
61E95.9Very high96.3Very high55 Ų5541.7 Ų41.726%0.25721%0.207SC..Hα-helixtrans-62.2-43.6172.2-177.654.4-145.200111.6R57 D58 K63 N64 Q65R57-E61 WeakPolarHBondContact O-CB 3.49Å; R57-E61 PolarHBondContact O-N 2.97Å; D58-E61 WeakPolarHBondContact O-CB 3.4Å; D58-E61 PolarHBondContact O-N 3.07Å; E61-K63 VanDerWaalsContact C-N 3.29Å; E61-K63 PolarHBondContact O-N 3.06Å; E61-N64 PolarHBondContact O-N 3.41Å; E61-Q65 WeakPolarHBondContact O-CG 3.23Å; E61-Q65 PolarHBondContact O-N 3.37Å; E61-Q65 PolarHBondContact OE1-NE2 3.04Å
62L97.1Very high96.7Very high1 Ų139.2 Ų39.21%0.00519%0.192CC..Hα-helixtrans-58.8-42.5174.4-65.5176.8000111.7L22 M24 P44 D58 V59 Q65 G66 V67 Y91 F96 M132L22-L62 HydrophobicContact CD2-CD1 4.41Å; L22-L62 HydrophobicContact CD2-CD2 3.84Å; L22-L62 HydrophobicContact CD2-CG 4.13Å; M24-L62 HydrophobicContact CE-CD2 3.11Å; P44-L62 HydrophobicContact CG-CD1 4.06Å; D58-L62 WeakPolarHBondContact O-CG 3.31Å; D58-L62 PolarHBondContact O-N 3.46Å; V59-L62 WeakPolarHBondContact O-CB 3.44Å; V59-L62 PolarHBondContact O-N 2.94Å; L62-Q65 PolarHBondContact O-N 2.91Å; L62-G66 PolarHBondContact O-N 3.21Å; L62-V67 HydrophobicContact CB-CB 4.3Å; L62-V67 HydrophobicContact CB-CG2 4.37Å; L62-V67 HydrophobicContact CD2-CG2 4.37Å; L62-V67 VanDerWaalsContact O-CB 3.29Å; L62-V67 WeakPolarHBondContact O-CB 3.4Å; L62-V67 WeakPolarHBondContact O-CG2 3.3Å; L62-V67 PolarHBondContact O-N 2.84Å; L62-Y91 HydrophobicContact CD1-CE1 3.8Å; L62-F96 HydrophobicContact CB-CE1 4.19Å; L62-F96 HydrophobicContact CB-CZ 3.9Å; L62-M132 HydrophobicContact CD1-SD 3.84Å; L62-M132 HydrophobicContact CD2-SD 3.67Å; L62-M132 HydrophobicContact CG-SD 4.32Å
63K96.2Very high96.9Very high107 Ų10736.5 Ų36.547%0.46518%0.182SC..Hα-helixtrans-65.3-41.8177.9-169.3171.3-176.2159.90111.6V59 D60 E61 Q65 G66 R94 F96V59-K63 PolarHBondContact O-N 3.48Å; D60-K63 PolarHBondContact O-N 2.93Å; E61-K63 VanDerWaalsContact C-N 3.29Å; E61-K63 PolarHBondContact O-N 3.06Å; K63-Q65 VanDerWaalsContact C-N 3.26Å; K63-Q65 PolarHBondContact O-N 2.87Å; K63-G66 WeakPolarHBondContact O-CA 3.41Å; K63-G66 PolarHBondContact O-N 3.34Å; K63-R94 PolarHBondContact NZ-O 2.91Å; K63-F96 HydrophobicContact CB-CZ 3.9Å
64N95.4Very high97.1Very high128 Ų12835.5 Ų35.568%0.68418%0.178SC*.Hα-helixtrans-63.8-32.2177-68.3-21.2000112.3D60 E61 G66D60-N64 WeakPolarHBondContact O-CB 3.46Å; D60-N64 PolarHBondContact O-N 2.92Å; D60-N64 PolarHBondContact O-ND2 2.88Å; D60-N64 PolarHBondContact O-OD1 2.97Å; E61-N64 PolarHBondContact O-N 3.41Å; N64-G66 PolarHBondContact O-N 3.37Å
65Q95.5Very high97.2Very high44 Ų4436.6 Ų36.621%0.20618%0.184CC..THydrogen-bonded Turntrans-75.4-1.1171.8-67.5-17739.400113.4M24 E61 L62 K63 V67 R130M24-Q65 VanDerWaalsContact CB-OE1 3.25Å; E61-Q65 WeakPolarHBondContact O-CG 3.23Å; E61-Q65 PolarHBondContact O-N 3.37Å; E61-Q65 PolarHBondContact OE1-NE2 3.04Å; L62-Q65 PolarHBondContact O-N 2.91Å; K63-Q65 VanDerWaalsContact C-N 3.26Å; K63-Q65 PolarHBondContact O-N 2.87Å; Q65-V67 VanDerWaalsContact C-N 3.34Å; Q65-V67 HydrophobicContact CB-CG2 4.38Å; Q65-R130 VanDerWaalsContact O-CD 3.27Å; Q65-R130 WeakPolarHBondContact O-CD 3.44Å; Q65-R130 VanDerWaalsContact O-CZ 3.22Å; Q65-R130 PolarHBondContact O-NE 3.37Å; Q65-R130 VanDerWaalsContact O-NE 3.14Å; Q65-R130 PolarHBondContact O-NH1 2.95Å
66G96.9Very high97.3Very high34 Ų3443 Ų4335%0.35121%0.206SC..THydrogen-bonded Turntrans76.119.7178.600000113.8L62 K63 N64 R130L62-G66 PolarHBondContact O-N 3.21Å; K63-G66 WeakPolarHBondContact O-CA 3.41Å; K63-G66 PolarHBondContact O-N 3.34Å; N64-G66 PolarHBondContact O-N 3.37Å; G66-R130 WeakPolarHBondContact O-CB 3.33Å
67V98.2Very high97.5Very high8 Ų841.7 Ų41.75%0.04821%0.214CC..  trans-62.2141.9175.1178.40000109.8W26 L62 Q65 V70 F96 M132W26-V67 HydrophobicContact CH2-CG2 3.85Å; W26-V67 HydrophobicContact CZ2-CG2 3.97Å; L62-V67 HydrophobicContact CB-CB 4.3Å; L62-V67 HydrophobicContact CB-CG2 4.37Å; L62-V67 HydrophobicContact CD2-CG2 4.37Å; L62-V67 VanDerWaalsContact O-CB 3.29Å; L62-V67 WeakPolarHBondContact O-CB 3.4Å; L62-V67 WeakPolarHBondContact O-CG2 3.3Å; L62-V67 PolarHBondContact O-N 2.84Å; Q65-V67 VanDerWaalsContact C-N 3.34Å; Q65-V67 HydrophobicContact CB-CG2 4.38Å; V67-V70 HydrophobicContact CG1-CG1 3.86Å; V67-F96 HydrophobicContact CB-CE1 3.85Å; V67-F96 HydrophobicContact CG1-CD1 4.12Å; V67-F96 HydrophobicContact CG1-CE1 3.89Å; V67-F96 VanDerWaalsContact O-CE1 3.23Å; V67-F96 WeakPolarHBondContact O-CE1 3.46Å; V67-M132 HydrophobicContact CG1-CB 4.44Å; V67-M132 HydrophobicContact CG1-CG 3.6Å; V67-M132 HydrophobicContact CG1-SD 3.83Å
68Q98.5Very high97.6Very high70 Ų7036.9 Ų36.933%0.32720%0.197SC..  trans-132.1-39.6-163.3-96-177.6124.500111.7T97 R129 R130Q68-T97 PolarHBondContact O-N 3.33Å; Q68-R129 VanDerWaalsContact CG-NH2 3.29Å; Q68-R129 PolarHBondContact O-NH2 3.09Å; Q68-R130 PolarHBondContact N-O 3.24Å
69D98.7Very high97.7Very high7 Ų736.8 Ų36.84%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-126.2134.3177.7-70.9-104.7000109.4T97 H99 R129 R130 T131 M132D69-T97 WeakPolarHBondContact CA-O 3.19Å; D69-T97 VanDerWaalsContact OD1-CB 3.31Å; D69-T97 WeakPolarHBondContact OD1-CB 3.46Å; D69-T97 WeakPolarHBondContact OD1-CG2 3.14Å; D69-H99 IonicContact OD1-CD2 3.21Å; D69-H99 IonicContact OD1-CE1 2.89Å; D69-H99 IonicContact OD1-NE2 3.4Å; D69-H99 PolarHBondContact OD1-NE2 3.1Å; D69-R129 IonicContact OD2-CZ 2.96Å; D69-R129 IonicContact OD2-NE 2.7Å; D69-R129 PolarHBondContact OD2-NE 3.22Å; D69-R129 IonicContact OD2-NH2 3.91Å; D69-R129 PolarHBondContact OD2-NH2 2.98Å; D69-R130 PolarHBondContact N-O 2.91Å; D69-T131 HydrophobicContact CB-CG2 3.95Å; D69-T131 WeakPolarHBondContact O-CA 3.38Å; D69-M132 PolarHBondContact O-N 2.98Å
70V98.7Very high97.7Very high0 Ų040.2 Ų40.20%022%0.22CC..EExtended strand (participates in β ladder)trans-125.9119.2-177.7-59.70000110.6V67 Y91 F96 T97 V98 H99 M132V67-V70 HydrophobicContact CG1-CG1 3.86Å; V70-Y91 HydrophobicContact CB-CE2 4.4Å; V70-Y91 HydrophobicContact CG1-CE1 4.47Å; V70-Y91 HydrophobicContact CG2-CD1 4.41Å; V70-Y91 HydrophobicContact CG2-CD2 3.66Å; V70-Y91 HydrophobicContact CG2-CE2 3.94Å; V70-Y91 HydrophobicContact CG2-CG 3.91Å; V70-F96 HydrophobicContact CG1-CB 4.38Å; V70-F96 HydrophobicContact CG1-CD1 3.84Å; V70-F96 HydrophobicContact CG1-CE1 4.46Å; V70-F96 HydrophobicContact CG1-CG 4.25Å; V70-F96 HydrophobicContact CG2-CB 4.17Å; V70-T97 PolarHBondContact N-O 2.91Å; V70-V98 HydrophobicContact CG2-CB 4.24Å; V70-V98 HydrophobicContact CG2-CG1 4.3Å; V70-V98 HydrophobicContact CG2-CG2 3.81Å; V70-H99 PolarHBondContact O-N 3.49Å; V70-M132 HydrophobicContact CB-CG 4.27Å; V70-M132 HydrophobicContact CG1-CG 3.76Å; V70-M132 HydrophobicContact CG1-SD 3.85Å
71F98.8Very high97.7Very high0 Ų045.1 Ų45.10%024%0.235CC..EExtended strand (participates in β ladder)trans-96115.3174.1-74.1-102.4000109.6H99 I117 E120 L121 T131 M132 V133 H134F71-H99 WeakPolarHBondContact CA-O 3.41Å; F71-H99 HydrophobicContact CD1-CB 3.47Å; F71-H99 VanDerWaalsContact CD1-CB 3.47Å; F71-H99 HydrophobicContact CD2-CB 4.22Å; F71-H99 AromaticContact CD2-CD2 3.88Å; F71-H99 HydrophobicContact CE1-CB 3.48Å; F71-H99 VanDerWaalsContact CE1-CB 3.48Å; F71-H99 AromaticContact CE1-CG 3.66Å; F71-H99 HydrophobicContact CE2-CB 4.21Å; F71-H99 AromaticContact CE2-CD2 3.4Å; F71-H99 WeakPolarHBondContact CE2-CD2 3.43Å; F71-H99 AromaticContact CE2-CG 3.82Å; F71-H99 AromaticContact CE2-NE2 3.91Å; F71-H99 HydrophobicContact CG-CB 3.87Å; F71-H99 HydrophobicContact CZ-CB 3.86Å; F71-H99 AromaticContact CZ-CD2 3.54Å; F71-H99 AromaticContact CZ-CG 3.51Å; F71-H99 AromaticContact CZ-ND1 3.92Å; F71-H99 AromaticContact CZ-NE2 3.93Å; F71-I117 HydrophobicContact CD1-CG2 4Å; F71-I117 HydrophobicContact CE1-CG2 4.29Å; F71-E120 HydrophobicContact CE1-CB 3.76Å; F71-E120 HydrophobicContact CZ-CB 3.72Å; F71-L121 HydrophobicContact CD1-CD2 4.48Å; F71-L121 HydrophobicContact CD1-CG 4.35Å; F71-L121 HydrophobicContact CD2-CD2 3.66Å; F71-L121 HydrophobicContact CD2-CG 4.35Å; F71-L121 HydrophobicContact CE1-CD2 4.38Å; F71-L121 HydrophobicContact CE1-CG 4.04Å; F71-L121 HydrophobicContact CE2-CD2 3.56Å; F71-L121 HydrophobicContact CE2-CG 4.06Å; F71-L121 HydrophobicContact CG-CD2 4.15Å; F71-L121 HydrophobicContact CG-CG 4.5Å; F71-L121 HydrophobicContact CZ-CD2 3.93Å; F71-L121 HydrophobicContact CZ-CG 3.89Å; F71-T131 HydrophobicContact CD2-CG2 3.63Å; F71-T131 HydrophobicContact CE2-CG2 3.52Å; F71-M132 PolarHBondContact N-O 3.47Å; F71-V133 HydrophobicContact CB-CB 4.02Å; F71-V133 HydrophobicContact CB-CG2 3.92Å; F71-V133 WeakPolarHBondContact O-CA 3.32Å; F71-H134 PolarHBondContact O-N 3.04Å
72V98.8Very high97.8Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-107112.7-176.1-172.10000109.4C74 L88 Y91 V98 H99 H100 A101V72-C74 HydrophobicContact CG1-CB 4.34Å; V72-L88 HydrophobicContact CB-CD2 4.06Å; V72-L88 HydrophobicContact CG1-CD2 4.03Å; V72-L88 HydrophobicContact CG2-CD2 3.84Å; V72-Y91 HydrophobicContact CG2-CD2 4.3Å; V72-Y91 HydrophobicContact CG2-CE2 3.86Å; V72-V98 HydrophobicContact CG2-CG1 4.31Å; V72-H99 PolarHBondContact N-O 2.98Å; V72-H100 PolarHBondContact O-CD2 2.99Å; V72-A101 PolarHBondContact O-N 2.94Å; V72-A101 VanDerWaalsContact O-N 3.09Å
73L98.8Very high97.8Very high0 Ų052.1 Ų52.10%026%0.259CS..  trans-95.9-4.6-177.2-50.7-178.1000113.3P102 F103 I117 V133 H134 C135 R141 I145L73-P102 WeakPolarHBondContact O-CA 3.5Å; L73-F103 HydrophobicContact CB-CD1 4.43Å; L73-F103 HydrophobicContact CB-CE1 3.99Å; L73-F103 HydrophobicContact CD1-CE1 3.85Å; L73-F103 HydrophobicContact CD1-CZ 4.12Å; L73-F103 HydrophobicContact CD2-CE1 3.96Å; L73-F103 HydrophobicContact CG-CE1 4.13Å; L73-F103 PolarHBondContact O-N 3.41Å; L73-I117 HydrophobicContact CD2-CD1 4.33Å; L73-V133 HydrophobicContact CD1-CG2 3.68Å; L73-V133 HydrophobicContact CD2-CG2 4.28Å; L73-V133 HydrophobicContact CG-CG2 3.94Å; L73-H134 PolarHBondContact N-O 3.45Å; L73-C135 HydrophobicContact CB-CB 4.13Å; L73-R141 HydrophobicContact CB-CB 4.45Å; L73-R141 HydrophobicContact CD1-CB 3.9Å; L73-R141 PolarHBondContact O-NH1 2.67Å; L73-I145 HydrophobicContact CD1-CB 4.49Å; L73-I145 HydrophobicContact CD1-CG1 3.79Å; L73-I145 HydrophobicContact CD2-CG1 4.5Å
74C98.6Very high97.9Very high0 Ų047.1 Ų47.10%024%0.238CC..  trans-76.3136.8176.9-73.50000111.6V72 E78 L79 H100 Y136V72-C74 HydrophobicContact CG1-CB 4.34Å; C74-E78 HydrophobicContact CB-CB 4.2Å; C74-L79 HydrophobicContact CB-CD2 3.72Å; C74-L79 HydrophobicContact CB-CG 4.28Å; C74-H100 PolarHBondContact O-NE2 3.4Å; C74-Y136 PolarHBondContact SG-N 2.94Å; C74-Y136 VanDerWaalsContact SG-N 3.36Å
75T98.4Very high98Very high44 Ų4444.6 Ų44.627%0.2723%0.229SC..  trans-66.7157.4169.263.60000111.1G77 E78 L79 P102T75-G77 PolarHBondContact O-N 3.13Å; T75-E78 WeakPolarHBondContact CB-OE2 3.26Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.31Å; T75-E78 PolarHBondContact N-OE2 2.87Å; T75-E78 WeakPolarHBondContact O-CB 3.43Å; T75-E78 PolarHBondContact O-N 3.36Å; T75-E78 VanDerWaalsContact OG1-CG 3.27Å; T75-E78 WeakPolarHBondContact OG1-CG 3.48Å; T75-E78 PolarHBondContact OG1-N 2.89Å; T75-E78 PolarHBondContact OG1-OE2 3.37Å; T75-L79 WeakPolarHBondContact O-CG 3.34Å; T75-L79 PolarHBondContact O-N 2.95Å; T75-P102 HydrophobicContact CG2-CB 4Å
76R98.2Very high98.1Very high159 Ų15944.7 Ų44.760%0.623%0.234SC*.Hα-helixtrans-59.2-33.5174.2-59.6-169.485.2130.52112.2E78 L79 S80R76-E78 VanDerWaalsContact C-N 3.34Å; R76-E78 PolarHBondContact O-N 3.47Å; R76-L79 PolarHBondContact O-N 3.47Å; R76-S80 PolarHBondContact O-N 3.2Å; R76-S80 PolarHBondContact O-OG 2.78Å
77G98.3Very high98.2Very high52 Ų5243 Ų4354%0.53622%0.217SC..Hα-helixtrans-61.9-40.5174.500000112.7T75 R81T75-G77 PolarHBondContact O-N 3.13Å; G77-R81 VanDerWaalsContact O-CB 3.31Å; G77-R81 WeakPolarHBondContact O-CB 3.12Å; G77-R81 PolarHBondContact O-N 3.36Å
78E98.3Very high98.2Very high16 Ų1643.7 Ų43.78%0.07522%0.22CC..Hα-helixtrans-66.7-43.8173.2-72.9169.598.100112.2C74 T75 R76 S80 R81 Y82 R141C74-E78 HydrophobicContact CB-CB 4.2Å; T75-E78 WeakPolarHBondContact CB-OE2 3.26Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.31Å; T75-E78 PolarHBondContact N-OE2 2.87Å; T75-E78 WeakPolarHBondContact O-CB 3.43Å; T75-E78 PolarHBondContact O-N 3.36Å; T75-E78 VanDerWaalsContact OG1-CG 3.27Å; T75-E78 WeakPolarHBondContact OG1-CG 3.48Å; T75-E78 PolarHBondContact OG1-N 2.89Å; T75-E78 PolarHBondContact OG1-OE2 3.37Å; R76-E78 VanDerWaalsContact C-N 3.34Å; R76-E78 PolarHBondContact O-N 3.47Å; E78-S80 VanDerWaalsContact C-N 3.29Å; E78-S80 PolarHBondContact O-N 2.92Å; E78-R81 WeakPolarHBondContact O-CB 3.41Å; E78-R81 PolarHBondContact O-N 3.19Å; E78-R81 VanDerWaalsContact O-N 3.1Å; E78-Y82 HydrophobicContact CB-CD2 4.06Å; E78-Y82 HydrophobicContact CB-CE2 3.8Å; E78-Y82 HydrophobicContact CG-CE2 4.15Å; E78-Y82 WeakPolarHBondContact O-CD2 3.5Å; E78-Y82 PolarHBondContact O-N 3.19Å; E78-R141 IonicContact OE1-CZ 3.3Å; E78-R141 IonicContact OE1-NH1 2.66Å; E78-R141 PolarHBondContact OE1-NH1 3.24Å; E78-R141 IonicContact OE1-NH2 2.81Å; E78-R141 PolarHBondContact OE1-NH2 3.32Å; E78-R141 IonicContact OE2-CZ 3.14Å; E78-R141 IonicContact OE2-NH1 3.43Å; E78-R141 PolarHBondContact OE2-NH1 3.19Å
79L98.4Very high98.2Very high3 Ų345 Ų452%0.01623%0.226CC..Hα-helixtrans-57.6-43.4177.2-61.9-175000111.5L43 C74 T75 R76 R83 V84 L87 L88L43-L79 HydrophobicContact CD1-CD2 4.03Å; C74-L79 HydrophobicContact CB-CD2 3.72Å; C74-L79 HydrophobicContact CB-CG 4.28Å; T75-L79 WeakPolarHBondContact O-CG 3.34Å; T75-L79 PolarHBondContact O-N 2.95Å; R76-L79 PolarHBondContact O-N 3.47Å; L79-R83 PolarHBondContact O-N 3.28Å; L79-V84 HydrophobicContact CD2-CG2 4.21Å; L79-V84 CarbonylContact O-C 3.36Å; L79-V84 PolarHBondContact O-N 3.44Å; L79-L87 HydrophobicContact CD2-CD2 3.7Å; L79-L88 HydrophobicContact CD1-CD1 4.27Å; L79-L88 HydrophobicContact CD1-CD2 4.28Å; L79-L88 HydrophobicContact CD1-CG 4Å
80S97.9Very high98.2Very high73 Ų7345.2 Ų45.251%0.5123%0.228SC..Hα-helixtrans-64.5-45.4172.8-62.90000112.3R76 E78 Y82 R83R76-S80 PolarHBondContact O-N 3.2Å; R76-S80 PolarHBondContact O-OG 2.78Å; E78-S80 VanDerWaalsContact C-N 3.29Å; E78-S80 PolarHBondContact O-N 2.92Å; S80-Y82 VanDerWaalsContact C-N 3.26Å; S80-Y82 PolarHBondContact O-N 2.95Å; S80-R83 PolarHBondContact O-N 3.32Å; S80-R83 VanDerWaalsContact O-N 3.07Å
81R97Very high98.2Very high147 Ų14745.2 Ų45.256%0.55523%0.228SC*.Hα-helixtrans-58.6-37.4179.1177.7179.4177.1165.5-0.3112.6Y48 G77 E78 R83Y48-R81 PolarHBondContact OH-NH2 3.43Å; G77-R81 VanDerWaalsContact O-CB 3.31Å; G77-R81 WeakPolarHBondContact O-CB 3.12Å; G77-R81 PolarHBondContact O-N 3.36Å; E78-R81 WeakPolarHBondContact O-CB 3.41Å; E78-R81 PolarHBondContact O-N 3.19Å; E78-R81 VanDerWaalsContact O-N 3.1Å; R81-R83 VanDerWaalsContact C-N 3.29Å
82Y97.4Very high98.2Very high11 Ų1151 Ų514%0.04326%0.255CS..THydrogen-bonded Turntrans-9314-179.7-56.3-51.3000113.4L43 K47 Y48 E78 S80 V84 Y136L43-Y82 HydrophobicContact CD2-CD2 3.47Å; L43-Y82 VanDerWaalsContact CD2-CD2 3.47Å; L43-Y82 HydrophobicContact CD2-CE2 4.47Å; L43-Y82 HydrophobicContact CD2-CG 3.78Å; K47-Y82 PolarHBondContact N-O 3.43Å; K47-Y82 VanDerWaalsContact N-O 3.1Å; Y48-Y82 HydrophobicContact CD1-CD1 4.18Å; Y48-Y82 AromaticContact CD1-CE1 3.84Å; Y48-Y82 HydrophobicContact CD1-CE1 3.84Å; Y48-Y82 HydrophobicContact CD2-CD1 4.01Å; Y48-Y82 HydrophobicContact CD2-CE1 4.18Å; Y48-Y82 HydrophobicContact CE1-CE1 4.18Å; Y48-Y82 AromaticContact CG-CD1 3.72Å; Y48-Y82 HydrophobicContact CG-CD1 3.72Å; Y48-Y82 AromaticContact CG-CE1 3.84Å; Y48-Y82 HydrophobicContact CG-CE1 3.84Å; E78-Y82 HydrophobicContact CB-CD2 4.06Å; E78-Y82 HydrophobicContact CB-CE2 3.8Å; E78-Y82 HydrophobicContact CG-CE2 4.15Å; E78-Y82 WeakPolarHBondContact O-CD2 3.5Å; E78-Y82 PolarHBondContact O-N 3.19Å; S80-Y82 VanDerWaalsContact C-N 3.26Å; S80-Y82 PolarHBondContact O-N 2.95Å; Y82-V84 VanDerWaalsContact C-N 3.31Å; Y82-V84 PolarHBondContact O-N 3.37Å; Y82-Y136 AromaticContact CD1-CD2 3.99Å; Y82-Y136 HydrophobicContact CD1-CD2 3.99Å; Y82-Y136 AromaticContact CD1-CE2 3.69Å; Y82-Y136 HydrophobicContact CD1-CE2 3.69Å; Y82-Y136 AromaticContact CD2-CD2 3.71Å; Y82-Y136 HydrophobicContact CD2-CD2 3.71Å; Y82-Y136 HydrophobicContact CD2-CE2 4.26Å; Y82-Y136 AromaticContact CE1-CD2 3.66Å; Y82-Y136 HydrophobicContact CE1-CD2 3.66Å; Y82-Y136 AromaticContact CE1-CE2 3.4Å; Y82-Y136 HydrophobicContact CE1-CE2 3.4Å; Y82-Y136 VanDerWaalsContact CE1-CE2 3.4Å; Y82-Y136 HydrophobicContact CE1-CG 4.39Å; Y82-Y136 AromaticContact CE1-CZ 3.99Å; Y82-Y136 AromaticContact CE2-CD2 3.37Å; Y82-Y136 HydrophobicContact CE2-CD2 3.37Å; Y82-Y136 HydrophobicContact CE2-CE2 4.04Å; Y82-Y136 AromaticContact CE2-CG 3.81Å; Y82-Y136 HydrophobicContact CE2-CG 3.81Å; Y82-Y136 HydrophobicContact CG-CD2 4.01Å; Y82-Y136 HydrophobicContact CG-CE2 4.1Å; Y82-Y136 AromaticContact CZ-CD2 3.33Å; Y82-Y136 AromaticContact CZ-CE2 3.59Å; Y82-Y136 AromaticContact CZ-CG 3.72Å
83R97.4Very high98.1Very high191 Ų19158.3 Ų58.372%0.72129%0.289SS*.THydrogen-bonded Turntrans59.334.5175.5-50.9-174.2173.7-138.73.6114.4K47 L79 S80 R81K47-R83 HydrophobicContact CB-CB 4.15Å; K47-R83 HydrophobicContact CB-CG 4.41Å; L79-R83 PolarHBondContact O-N 3.28Å; S80-R83 PolarHBondContact O-N 3.32Å; S80-R83 VanDerWaalsContact O-N 3.07Å; R81-R83 VanDerWaalsContact C-N 3.29Å
84V97.8Very high98Very high2 Ų261.9 Ų61.91%0.01230%0.303CS..  trans-128.149.2173.7-67.30000112.2L43 G45 L55 L79 Y82 S86 L87L43-V84 HydrophobicContact CD1-CG2 4.24Å; L43-V84 HydrophobicContact CD2-CG2 3.92Å; L43-V84 HydrophobicContact CG-CG2 4.19Å; G45-V84 VanDerWaalsContact C-CG1 3.44Å; G45-V84 WeakPolarHBondContact O-CG1 3.35Å; L55-V84 HydrophobicContact CD2-CG1 4.48Å; L79-V84 HydrophobicContact CD2-CG2 4.21Å; L79-V84 CarbonylContact O-C 3.36Å; L79-V84 PolarHBondContact O-N 3.44Å; Y82-V84 VanDerWaalsContact C-N 3.31Å; Y82-V84 PolarHBondContact O-N 3.37Å; V84-S86 PolarHBondContact O-N 3.16Å; V84-L87 HydrophobicContact CB-CB 4.23Å; V84-L87 HydrophobicContact CG2-CB 4.46Å; V84-L87 VanDerWaalsContact O-CB 3.29Å; V84-L87 WeakPolarHBondContact O-CB 3.41Å; V84-L87 PolarHBondContact O-N 3.47Å; V84-L87 VanDerWaalsContact O-N 3.09Å
85P98.1Very high98Very high76 Ų7664.8 Ų64.849%0.49433%0.332SS..THydrogen-bonded Turntrans-62.4-27.2-175.928-36.2000113.4
86S97.9Very high98Very high45 Ų4563.2 Ų63.232%0.31532%0.321SS..THydrogen-bonded Turntrans-89.77.3178.656.60000114V84 L88 E89 V90V84-S86 PolarHBondContact O-N 3.16Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.89Å; S86-E89 PolarHBondContact O-N 2.91Å; S86-E89 VanDerWaalsContact O-N 3.15Å; S86-V90 WeakPolarHBondContact O-CG2 3.16Å; S86-V90 PolarHBondContact O-N 3.31Å
87L98.4Very high98Very high0 Ų058.7 Ų58.70%031%0.312CS..Hα-helixtrans-50.7-47.9-175.8176.365.1000113L43 P44 L55 L79 V84 V90 Y91L43-L87 HydrophobicContact CD1-CD2 3.61Å; P44-L87 HydrophobicContact CB-CD1 4.34Å; L55-L87 HydrophobicContact CD1-CD1 3.34Å; L79-L87 HydrophobicContact CD2-CD2 3.7Å; V84-L87 HydrophobicContact CB-CB 4.23Å; V84-L87 HydrophobicContact CG2-CB 4.46Å; V84-L87 VanDerWaalsContact O-CB 3.29Å; V84-L87 WeakPolarHBondContact O-CB 3.41Å; V84-L87 PolarHBondContact O-N 3.47Å; V84-L87 VanDerWaalsContact O-N 3.09Å; L87-V90 PolarHBondContact O-N 3.39Å; L87-Y91 HydrophobicContact CD1-CD2 4.13Å; L87-Y91 HydrophobicContact CD1-CE1 4.08Å; L87-Y91 HydrophobicContact CD1-CE2 3.58Å; L87-Y91 HydrophobicContact CD2-CE2 4Å; L87-Y91 HydrophobicContact CG-CD2 4Å; L87-Y91 HydrophobicContact CG-CE2 3.58Å; L87-Y91 WeakPolarHBondContact O-CD2 3.27Å; L87-Y91 PolarHBondContact O-N 3.35Å
88L98.5Very high98Very high21 Ų2157.7 Ų57.711%0.1130%0.295CS..Hα-helixtrans-63.2-44.9-177.4-54.6-179.6000111.1V72 L79 S86 V90 Y91 E92 V98 H100V72-L88 HydrophobicContact CB-CD2 4.06Å; V72-L88 HydrophobicContact CG1-CD2 4.03Å; V72-L88 HydrophobicContact CG2-CD2 3.84Å; L79-L88 HydrophobicContact CD1-CD1 4.27Å; L79-L88 HydrophobicContact CD1-CD2 4.28Å; L79-L88 HydrophobicContact CD1-CG 4Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 2.89Å; L88-V90 PolarHBondContact O-N 3.39Å; L88-Y91 WeakPolarHBondContact O-CB 3.34Å; L88-Y91 PolarHBondContact O-N 3.14Å; L88-E92 WeakPolarHBondContact O-CG 3.24Å; L88-E92 PolarHBondContact O-N 3.24Å; L88-V98 HydrophobicContact CD2-CG1 3.89Å; L88-H100 HydrophobicContact CD1-CB 4.35Å
89E98.3Very high98Very high98 Ų9858.5 Ų58.546%0.45830%0.299SS..Hα-helixtrans-64.5-40.9177.8-64.3168.4-168.200111.4S86 Y91 E92 Q93S86-E89 PolarHBondContact O-N 2.91Å; S86-E89 VanDerWaalsContact O-N 3.15Å; E89-Y91 VanDerWaalsContact C-N 3.31Å; E89-Y91 PolarHBondContact O-N 3.07Å; E89-E92 PolarHBondContact O-N 2.89Å; E89-Q93 WeakPolarHBondContact O-CB 3.29Å; E89-Q93 WeakPolarHBondContact O-CG 3.29Å; E89-Q93 PolarHBondContact O-N 3.07Å
90V98.4Very high98Very high12 Ų1261.5 Ų61.57%0.07331%0.313CS..Hα-helixtrans-64.5-37.9177.5173.40000110.9L55 V59 S86 L87 L88 R94L55-V90 HydrophobicContact CD2-CB 4.34Å; L55-V90 HydrophobicContact CD2-CG2 3.96Å; L55-V90 HydrophobicContact CG-CG1 4.37Å; V59-V90 HydrophobicContact CB-CG1 4.32Å; V59-V90 HydrophobicContact CG1-CG1 4.19Å; V59-V90 HydrophobicContact CG2-CG1 4.01Å; S86-V90 WeakPolarHBondContact O-CG2 3.16Å; S86-V90 PolarHBondContact O-N 3.31Å; L87-V90 PolarHBondContact O-N 3.39Å; L88-V90 PolarHBondContact O-N 3.39Å; V90-R94 HydrophobicContact CG1-CG 4.44Å; V90-R94 WeakPolarHBondContact O-CB 3.38Å; V90-R94 WeakPolarHBondContact O-CG 3.21Å; V90-R94 PolarHBondContact O-N 3Å; V90-R94 VanDerWaalsContact O-N 3.1Å
91Y98.6Very high98.1Very high0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-62.3-51172.1-74.3-39.3000111.7P44 V59 L62 V70 V72 L87 L88 E89 Q93 R94 G95 F96 V98 H134P44-Y91 VanDerWaalsContact CG-OH 3.26Å; P44-Y91 WeakPolarHBondContact CG-OH 3.23Å; V59-Y91 HydrophobicContact CG1-CD1 4.05Å; V59-Y91 HydrophobicContact CG1-CE1 4.43Å; V59-Y91 HydrophobicContact CG2-CD1 3.98Å; V59-Y91 HydrophobicContact CG2-CE1 3.78Å; L62-Y91 HydrophobicContact CD1-CE1 3.8Å; V70-Y91 HydrophobicContact CB-CE2 4.4Å; V70-Y91 HydrophobicContact CG1-CE1 4.47Å; V70-Y91 HydrophobicContact CG2-CD1 4.41Å; V70-Y91 HydrophobicContact CG2-CD2 3.66Å; V70-Y91 HydrophobicContact CG2-CE2 3.94Å; V70-Y91 HydrophobicContact CG2-CG 3.91Å; V72-Y91 HydrophobicContact CG2-CD2 4.3Å; V72-Y91 HydrophobicContact CG2-CE2 3.86Å; L87-Y91 HydrophobicContact CD1-CD2 4.13Å; L87-Y91 HydrophobicContact CD1-CE1 4.08Å; L87-Y91 HydrophobicContact CD1-CE2 3.58Å; L87-Y91 HydrophobicContact CD2-CE2 4Å; L87-Y91 HydrophobicContact CG-CD2 4Å; L87-Y91 HydrophobicContact CG-CE2 3.58Å; L87-Y91 WeakPolarHBondContact O-CD2 3.27Å; L87-Y91 PolarHBondContact O-N 3.35Å; L88-Y91 WeakPolarHBondContact O-CB 3.34Å; L88-Y91 PolarHBondContact O-N 3.14Å; E89-Y91 VanDerWaalsContact C-N 3.31Å; E89-Y91 PolarHBondContact O-N 3.07Å; Y91-Q93 VanDerWaalsContact C-N 3.34Å; Y91-Q93 PolarHBondContact O-N 3.46Å; Y91-R94 PolarHBondContact O-N 3.22Å; Y91-R94 VanDerWaalsContact O-N 3.07Å; Y91-G95 PolarHBondContact O-N 3.45Å; Y91-F96 AromaticContact CD1-CD2 3.89Å; Y91-F96 HydrophobicContact CD1-CD2 3.89Å; Y91-F96 HydrophobicContact CD1-CE2 4.22Å; Y91-F96 HydrophobicContact CD1-CG 4.33Å; Y91-F96 HydrophobicContact CG-CD2 4.45Å; Y91-F96 VanDerWaalsContact O-CD2 3.24Å; Y91-F96 WeakPolarHBondContact O-CD2 3.36Å; Y91-F96 PolarHBondContact O-N 3.27Å; Y91-F96 VanDerWaalsContact O-N 3.07Å; Y91-V98 VanDerWaalsContact CB-CG2 3.43Å; Y91-V98 HydrophobicContact CD2-CG2 4.31Å; Y91-V98 HydrophobicContact CG-CG2 4.32Å; Y91-H134 AromaticContact CE2-NE2 3.7Å; Y91-H134 AromaticContact CZ-NE2 3.83Å; Y91-H134 PolarHBondContact OH-NE2 3.1Å
92E98.1Very high98.1Very high121 Ų12153.9 Ų53.957%0.56528%0.282SS*.Hα-helixtrans-58.6-45.8179.6-68.6174.4155.800111.7L88 E89 R94 G95 V98L88-E92 WeakPolarHBondContact O-CG 3.24Å; L88-E92 PolarHBondContact O-N 3.24Å; E89-E92 PolarHBondContact O-N 2.89Å; E92-R94 PolarHBondContact O-N 3.16Å; E92-G95 PolarHBondContact O-N 2.97Å; E92-V98 HydrophobicContact CG-CB 4.39Å; E92-V98 HydrophobicContact CG-CG2 3.77Å
93Q97.8Very high98.2Very high153 Ų15353.7 Ų53.772%0.71528%0.281SS*.Hα-helixtrans-61.6-29.2177.4-72.9172.610.600113.2E89 Y91 G95E89-Q93 WeakPolarHBondContact O-CB 3.29Å; E89-Q93 WeakPolarHBondContact O-CG 3.29Å; E89-Q93 PolarHBondContact O-N 3.07Å; Y91-Q93 VanDerWaalsContact C-N 3.34Å; Y91-Q93 PolarHBondContact O-N 3.46Å; Q93-G95 VanDerWaalsContact C-N 3.3Å
94R96.9Very high98.2Very high76 Ų7648.3 Ų48.329%0.28727%0.271SS..Hα-helixtrans-86.4-2.6177.9-68.3-67.8-169.2144.33.2113.1Q56 V59 D60 K63 V90 Y91 E92 F96Q56-R94 VanDerWaalsContact CD-NH2 3.33Å; Q56-R94 VanDerWaalsContact NE2-CZ 3.28Å; V59-R94 HydrophobicContact CG1-CB 3.94Å; V59-R94 HydrophobicContact CG1-CG 3.74Å; D60-R94 VanDerWaalsContact CG-NH1 3.28Å; D60-R94 IonicContact OD1-CZ 3.86Å; D60-R94 IonicContact OD1-NE 3.34Å; D60-R94 PolarHBondContact OD1-NE 3.16Å; D60-R94 IonicContact OD1-NH1 3.46Å; D60-R94 PolarHBondContact OD1-NH1 3.36Å; D60-R94 IonicContact OD1-NH2 3.99Å; D60-R94 PolarHBondContact OD1-NH2 3.29Å; D60-R94 VanDerWaalsContact OD1-NH2 3.14Å; D60-R94 IonicContact OD2-CZ 3.91Å; D60-R94 IonicContact OD2-NH1 2.6Å; D60-R94 PolarHBondContact OD2-NH1 2.89Å; D60-R94 IonicContact OD2-NH2 3.48Å; D60-R94 PolarHBondContact OD2-NH2 3.04Å; K63-R94 PolarHBondContact NZ-O 2.91Å; V90-R94 HydrophobicContact CG1-CG 4.44Å; V90-R94 WeakPolarHBondContact O-CB 3.38Å; V90-R94 WeakPolarHBondContact O-CG 3.21Å; V90-R94 PolarHBondContact O-N 3Å; V90-R94 VanDerWaalsContact O-N 3.1Å; Y91-R94 PolarHBondContact O-N 3.22Å; Y91-R94 VanDerWaalsContact O-N 3.07Å; E92-R94 PolarHBondContact O-N 3.16Å; R94-F96 HydrophobicContact CB-CD2 3.81Å; R94-F96 HydrophobicContact CB-CE2 3.61Å
95G97.6Very high98.1Very high60 Ų6052.1 Ų52.162%0.61929%0.291SS*.THydrogen-bonded Turntrans93.616.4173.600000114.4Y91 E92 Q93Y91-G95 PolarHBondContact O-N 3.45Å; E92-G95 PolarHBondContact O-N 2.97Å; Q93-G95 VanDerWaalsContact C-N 3.3Å
96F98.5Very high98Very high11 Ų1149.5 Ų49.55%0.04828%0.278CS..PPolyproline II helixtrans-79.2145.7174.1-62.1-83.1000110.6V59 L62 K63 V67 V70 Y91 R94V59-F96 HydrophobicContact CG1-CD2 4.28Å; V59-F96 HydrophobicContact CG1-CE2 3.48Å; V59-F96 VanDerWaalsContact CG1-CE2 3.48Å; V59-F96 HydrophobicContact CG1-CZ 4.23Å; L62-F96 HydrophobicContact CB-CE1 4.19Å; L62-F96 HydrophobicContact CB-CZ 3.9Å; K63-F96 HydrophobicContact CB-CZ 3.9Å; V67-F96 HydrophobicContact CB-CE1 3.85Å; V67-F96 HydrophobicContact CG1-CD1 4.12Å; V67-F96 HydrophobicContact CG1-CE1 3.89Å; V67-F96 VanDerWaalsContact O-CE1 3.23Å; V67-F96 WeakPolarHBondContact O-CE1 3.46Å; V70-F96 HydrophobicContact CG1-CB 4.38Å; V70-F96 HydrophobicContact CG1-CD1 3.84Å; V70-F96 HydrophobicContact CG1-CE1 4.46Å; V70-F96 HydrophobicContact CG1-CG 4.25Å; V70-F96 HydrophobicContact CG2-CB 4.17Å; Y91-F96 AromaticContact CD1-CD2 3.89Å; Y91-F96 HydrophobicContact CD1-CD2 3.89Å; Y91-F96 HydrophobicContact CD1-CE2 4.22Å; Y91-F96 HydrophobicContact CD1-CG 4.33Å; Y91-F96 HydrophobicContact CG-CD2 4.45Å; Y91-F96 VanDerWaalsContact O-CD2 3.24Å; Y91-F96 WeakPolarHBondContact O-CD2 3.36Å; Y91-F96 PolarHBondContact O-N 3.27Å; Y91-F96 VanDerWaalsContact O-N 3.07Å; R94-F96 HydrophobicContact CB-CD2 3.81Å; R94-F96 HydrophobicContact CB-CE2 3.61Å
97T98.6Very high98Very high65 Ų6549.5 Ų49.540%0.39927%0.274SS..EExtended strand (participates in β ladder)trans-84.1119162.9-57.70000108.2Q68 D69 V70Q68-T97 PolarHBondContact O-N 3.33Å; D69-T97 WeakPolarHBondContact CA-O 3.19Å; D69-T97 VanDerWaalsContact OD1-CB 3.31Å; D69-T97 WeakPolarHBondContact OD1-CB 3.46Å; D69-T97 WeakPolarHBondContact OD1-CG2 3.14Å; V70-T97 PolarHBondContact N-O 2.91Å
98V98.6Very high97.9Very high31 Ų3151 Ų5119%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-102122-173.3-176.90000110.3V70 V72 L88 Y91 E92V70-V98 HydrophobicContact CG2-CB 4.24Å; V70-V98 HydrophobicContact CG2-CG1 4.3Å; V70-V98 HydrophobicContact CG2-CG2 3.81Å; V72-V98 HydrophobicContact CG2-CG1 4.31Å; L88-V98 HydrophobicContact CD2-CG1 3.89Å; Y91-V98 VanDerWaalsContact CB-CG2 3.43Å; Y91-V98 HydrophobicContact CD2-CG2 4.31Å; Y91-V98 HydrophobicContact CG-CG2 4.32Å; E92-V98 HydrophobicContact CG-CB 4.39Å; E92-V98 HydrophobicContact CG-CG2 3.77Å
99H98.6Very high97.9Very high33 Ų3350.2 Ų50.215%0.15328%0.28CS..EExtended strand (participates in β ladder)trans-108.696.1174.6-55.2-87.6000108.4D69 V70 F71 V72 A101 E120D69-H99 IonicContact OD1-CD2 3.21Å; D69-H99 IonicContact OD1-CE1 2.89Å; D69-H99 IonicContact OD1-NE2 3.4Å; D69-H99 PolarHBondContact OD1-NE2 3.1Å; V70-H99 PolarHBondContact O-N 3.49Å; F71-H99 WeakPolarHBondContact CA-O 3.41Å; F71-H99 HydrophobicContact CD1-CB 3.47Å; F71-H99 VanDerWaalsContact CD1-CB 3.47Å; F71-H99 HydrophobicContact CD2-CB 4.22Å; F71-H99 AromaticContact CD2-CD2 3.88Å; F71-H99 HydrophobicContact CE1-CB 3.48Å; F71-H99 VanDerWaalsContact CE1-CB 3.48Å; F71-H99 AromaticContact CE1-CG 3.66Å; F71-H99 HydrophobicContact CE2-CB 4.21Å; F71-H99 AromaticContact CE2-CD2 3.4Å; F71-H99 WeakPolarHBondContact CE2-CD2 3.43Å; F71-H99 AromaticContact CE2-CG 3.82Å; F71-H99 AromaticContact CE2-NE2 3.91Å; F71-H99 HydrophobicContact CG-CB 3.87Å; F71-H99 HydrophobicContact CZ-CB 3.86Å; F71-H99 AromaticContact CZ-CD2 3.54Å; F71-H99 AromaticContact CZ-CG 3.51Å; F71-H99 AromaticContact CZ-ND1 3.92Å; F71-H99 AromaticContact CZ-NE2 3.93Å; V72-H99 PolarHBondContact N-O 2.98Å; H99-A101 PolarHBondContact O-N 2.85Å; H99-E120 IonicContact CG-OE2 3.37Å; H99-E120 IonicContact ND1-OE2 3.43Å; H99-E120 PolarHBondContact ND1-OE2 2.93Å
100H98.6Very high97.8Very high65 Ų6552.7 Ų52.730%0.30129%0.291SS..EExtended strand (participates in β ladder)trans-92.899.5-177.6-173.4-146.7000111.3V72 C74 L88 P102V72-H100 PolarHBondContact O-CD2 2.99Å; C74-H100 PolarHBondContact O-NE2 3.4Å; L88-H100 HydrophobicContact CD1-CB 4.35Å; H100-P102 WeakPolarHBondContact O-CD 3.45Å
101A98.3Very high97.7Very high13 Ų1354.2 Ų54.211%0.10730%0.299CS..  trans-124.475.2-177.700000110.9V72 H99 I117V72-A101 PolarHBondContact O-N 2.94Å; V72-A101 VanDerWaalsContact O-N 3.09Å; H99-A101 PolarHBondContact O-N 2.85Å; A101-I117 HydrophobicContact CB-CD1 3.66Å; A101-I117 HydrophobicContact CB-CG1 3.57Å
102P98.3Very high97.6Very high48 Ų4859.5 Ų59.531%0.31232%0.324SS..  trans-76.1143.1-171.431-35.7000112.9L73 T75 H100 Q113L73-P102 WeakPolarHBondContact O-CA 3.5Å; T75-P102 HydrophobicContact CG2-CB 4Å; H100-P102 WeakPolarHBondContact O-CD 3.45Å; P102-Q113 PolarHBondContact O-NE2 3.18Å
103F98.3Very high97.6Very high6 Ų655.9 Ų55.93%0.02631%0.307CS..  trans-148.2156.3165.361.7-84.3000111.2L73 P109 R141 L144 I145L73-F103 HydrophobicContact CB-CD1 4.43Å; L73-F103 HydrophobicContact CB-CE1 3.99Å; L73-F103 HydrophobicContact CD1-CE1 3.85Å; L73-F103 HydrophobicContact CD1-CZ 4.12Å; L73-F103 HydrophobicContact CD2-CE1 3.96Å; L73-F103 HydrophobicContact CG-CE1 4.13Å; L73-F103 PolarHBondContact O-N 3.41Å; F103-P109 HydrophobicContact CB-CB 4.39Å; F103-P109 HydrophobicContact CD1-CB 4.04Å; F103-P109 HydrophobicContact CD2-CB 4.36Å; F103-P109 HydrophobicContact CE1-CB 4.33Å; F103-P109 HydrophobicContact CE1-CG 4.45Å; F103-P109 HydrophobicContact CE2-CG 4.49Å; F103-P109 HydrophobicContact CG-CB 4.05Å; F103-P109 HydrophobicContact CZ-CG 4.38Å; F103-R141 HydrophobicContact CD2-CG 4.06Å; F103-R141 HydrophobicContact CE1-CB 4.33Å; F103-R141 HydrophobicContact CE2-CB 3.77Å; F103-R141 HydrophobicContact CE2-CG 3.35Å; F103-R141 HydrophobicContact CZ-CB 3.51Å; F103-R141 HydrophobicContact CZ-CG 3.66Å; F103-R141 PolarHBondContact O-NH1 3.2Å; F103-R141 VanDerWaalsContact O-NH1 3.09Å; F103-L144 HydrophobicContact CE2-CD2 4.24Å; F103-L144 HydrophobicContact CZ-CD2 4.38Å; F103-I145 HydrophobicContact CE1-CD1 4.36Å; F103-I145 HydrophobicContact CE1-CG1 4.31Å; F103-I145 HydrophobicContact CZ-CD1 4.43Å; F103-I145 HydrophobicContact CZ-CG1 4.28Å
104P97.6Very high97.6Very high79 Ų7948.6 Ų48.651%0.51327%0.273SS..  trans-58.7144.3-169.7-25.535.2000114.2D107P104-D107 HydrophobicContact CB-CB 4.08Å; P104-D107 PolarHBondContact O-N 3.15Å; P104-D107 VanDerWaalsContact O-N 3.17Å
105D96.1Very high97.6Very high82 Ų8245 Ų4544%0.43926%0.259SS..THydrogen-bonded Turntrans-64139.7177.6-163.844.3000112.2D107 R141D105-D107 PolarHBondContact O-N 3.49Å; D105-R141 VanDerWaalsContact CG-NH2 3.32Å; D105-R141 IonicContact OD1-CZ 2.57Å; D105-R141 VanDerWaalsContact OD1-CZ 3.22Å; D105-R141 IonicContact OD1-NE 2.76Å; D105-R141 PolarHBondContact OD1-NE 3.06Å; D105-R141 IonicContact OD1-NH2 2.98Å; D105-R141 PolarHBondContact OD1-NH2 3.36Å
106G95.6Very high97.6Very high21 Ų2146.2 Ų46.222%0.21625%0.249CC..THydrogen-bonded Turntrans72.1-2.7-173.700000115.3T177G106-T177 WeakPolarHBondContact O-CB 3.47Å; G106-T177 WeakPolarHBondContact O-CG2 3.09Å; G106-T177 PolarHBondContact O-OG1 2.91Å
107D97.6Very high97.6Very high44 Ų4445.8 Ų45.824%0.23525%0.247CC..SBendtrans-104.9-172178.9-135-38.4000112.5P104 D105 K179 Q180P104-D107 HydrophobicContact CB-CB 4.08Å; P104-D107 PolarHBondContact O-N 3.15Å; P104-D107 VanDerWaalsContact O-N 3.17Å; D105-D107 PolarHBondContact O-N 3.49Å; D107-K179 VanDerWaalsContact OD1-CD 3.25Å; D107-K179 WeakPolarHBondContact OD1-CD 3.4Å; D107-K179 IonicContact OD1-NZ 3.72Å; D107-K179 PolarHBondContact OD1-NZ 3.26Å; D107-K179 IonicContact OD2-NZ 2.68Å; D107-K179 PolarHBondContact OD2-NZ 3.41Å; D107-Q180 PolarHBondContact O-NE2 3.05Å; D107-Q180 VanDerWaalsContact O-NE2 3.12Å
108V98.1Very high97.6Very high32 Ų3242.7 Ų42.719%0.19423%0.228CC..  trans-118.6150.9176.8-58.70000110L144 K179 Q180 F183V108-L144 HydrophobicContact CB-CD2 4.12Å; V108-L144 HydrophobicContact CG1-CD2 3.88Å; V108-K179 HydrophobicContact CG1-CB 4.34Å; V108-Q180 HydrophobicContact CG1-CB 4.29Å; V108-Q180 HydrophobicContact CG1-CG 3.8Å; V108-F183 HydrophobicContact CB-CB 4.23Å; V108-F183 HydrophobicContact CB-CD2 3.81Å; V108-F183 HydrophobicContact CB-CE2 4.35Å; V108-F183 HydrophobicContact CB-CG 4.03Å; V108-F183 HydrophobicContact CG1-CB 3.71Å; V108-F183 HydrophobicContact CG1-CD2 4.26Å; V108-F183 HydrophobicContact CG1-CG 4.02Å; V108-F183 HydrophobicContact CG2-CB 4.49Å; V108-F183 HydrophobicContact CG2-CD2 3.77Å; V108-F183 HydrophobicContact CG2-CE2 4.38Å; V108-F183 HydrophobicContact CG2-CG 4.37Å
109P97.7Very high97.5Very high5 Ų543.6 Ų43.63%0.03223%0.232CC..  trans-69.6163173.832.7-36.3000110.5F103 Q113 C114 I145 F183F103-P109 HydrophobicContact CB-CB 4.39Å; F103-P109 HydrophobicContact CD1-CB 4.04Å; F103-P109 HydrophobicContact CD2-CB 4.36Å; F103-P109 HydrophobicContact CE1-CB 4.33Å; F103-P109 HydrophobicContact CE1-CG 4.45Å; F103-P109 HydrophobicContact CE2-CG 4.49Å; F103-P109 HydrophobicContact CG-CB 4.05Å; F103-P109 HydrophobicContact CZ-CG 4.38Å; P109-Q113 HydrophobicContact CB-CB 4.37Å; P109-Q113 HydrophobicContact CB-CG 4.44Å; P109-C114 HydrophobicContact CB-CB 4.47Å; P109-C114 HydrophobicContact CG-CB 3.78Å; P109-I145 HydrophobicContact CG-CD1 4.27Å; P109-F183 HydrophobicContact CG-CZ 4.42Å
110E96.8Very high97.4Very high149 Ų14945.9 Ų45.970%0.69624%0.242SC*.  trans-60.2149.6161.4-67.1-174.2175.700109.7E112 Q113 C114E110-E112 VanDerWaalsContact C-N 3.3Å; E110-E112 PolarHBondContact O-N 3.18Å; E110-Q113 HydrophobicContact CB-CB 4.41Å; E110-Q113 PolarHBondContact O-N 3.48Å; E110-C114 PolarHBondContact O-N 3.4Å
111L96.1Very high97.4Very high45 Ų4542.8 Ų42.824%0.23623%0.228CC..Hα-helixtrans-57.5-45-176.3178.167.3000111.8Q113 C114 C115 K190L111-Q113 PolarHBondContact O-N 3.24Å; L111-C114 VanDerWaalsContact O-CB 3.31Å; L111-C114 WeakPolarHBondContact O-CB 3.28Å; L111-C114 PolarHBondContact O-N 2.83Å; L111-C115 PolarHBondContact O-N 3.09Å; L111-C115 PolarHBondContact O-SG 3.44Å; L111-K190 HydrophobicContact CD1-CB 3.76Å; L111-K190 HydrophobicContact CD2-CB 3.71Å; L111-K190 HydrophobicContact CD2-CG 4.46Å; L111-K190 WeakPolarHBondContact CD2-O 3.47Å; L111-K190 HydrophobicContact CG-CB 4.36Å
112E96.1Very high97.4Very high110 Ų11045 Ų4551%0.51424%0.236SC..Hα-helixtrans-61-44.2179.1178.7170.5-166.100111.9E110 C114 C115 Q116 Y194E110-E112 VanDerWaalsContact C-N 3.3Å; E110-E112 PolarHBondContact O-N 3.18Å; E112-C114 VanDerWaalsContact C-N 3.33Å; E112-C114 PolarHBondContact O-N 3.39Å; E112-C115 PolarHBondContact O-N 3.32Å; E112-Q116 WeakPolarHBondContact O-CG 3.33Å; E112-Q116 PolarHBondContact O-N 2.94Å; E112-Y194 HydrophobicContact CB-CE2 4.03Å; E112-Y194 HydrophobicContact CG-CE2 3.98Å
113Q97.4Very high97.3Very high45 Ų4545.6 Ų45.621%0.2124%0.239CC..Hα-helixtrans-62.4-41175.1-173.9-176.216.600111.4P102 P109 E110 L111 Q116 I117P102-Q113 PolarHBondContact O-NE2 3.18Å; P109-Q113 HydrophobicContact CB-CB 4.37Å; P109-Q113 HydrophobicContact CB-CG 4.44Å; E110-Q113 HydrophobicContact CB-CB 4.41Å; E110-Q113 PolarHBondContact O-N 3.48Å; L111-Q113 PolarHBondContact O-N 3.24Å; Q113-Q116 PolarHBondContact O-N 3.26Å; Q113-I117 HydrophobicContact CG-CD1 4.22Å; Q113-I117 VanDerWaalsContact O-CG1 3.28Å; Q113-I117 WeakPolarHBondContact O-CG1 3.49Å; Q113-I117 PolarHBondContact O-N 3.03Å
114C98.3Very high97.3Very high0 Ų045.6 Ų45.60%024%0.239CC..Hα-helixtrans-57.9-51.1174.3-166.50000110.8P109 E110 L111 E112 Q116 I117 L118 F183P109-C114 HydrophobicContact CB-CB 4.47Å; P109-C114 HydrophobicContact CG-CB 3.78Å; E110-C114 PolarHBondContact O-N 3.4Å; L111-C114 VanDerWaalsContact O-CB 3.31Å; L111-C114 WeakPolarHBondContact O-CB 3.28Å; L111-C114 PolarHBondContact O-N 2.83Å; E112-C114 VanDerWaalsContact C-N 3.33Å; E112-C114 PolarHBondContact O-N 3.39Å; C114-Q116 VanDerWaalsContact C-N 3.32Å; C114-Q116 PolarHBondContact O-N 3.43Å; C114-I117 PolarHBondContact O-N 2.6Å; C114-L118 VanDerWaalsContact O-CG 3.26Å; C114-L118 WeakPolarHBondContact O-CG 3.33Å; C114-L118 PolarHBondContact O-N 2.71Å; C114-F183 HydrophobicContact CB-CZ 4.03Å
115C96.9Very high97.3Very high0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-59.1-41.7179-63.50000112.2L111 E112 L118 D119 Y194L111-C115 PolarHBondContact O-N 3.09Å; L111-C115 PolarHBondContact O-SG 3.44Å; E112-C115 PolarHBondContact O-N 3.32Å; C115-L118 PolarHBondContact O-N 3.11Å; C115-D119 WeakPolarHBondContact O-CB 3.41Å; C115-D119 VanDerWaalsContact O-CG 3.27Å; C115-D119 PolarHBondContact O-N 2.96Å; C115-Y194 HydrophobicContact CB-CD1 3.81Å; C115-Y194 HydrophobicContact CB-CE1 3.32Å; C115-Y194 HydrophobicContact CB-CE2 4.4Å; C115-Y194 WeakPolarHBondContact SG-CD1 3.17Å; C115-Y194 VanDerWaalsContact SG-CE1 3.6Å
116Q97Very high97.3Very high87 Ų8744.3 Ų44.341%0.40722%0.224SC..Hα-helixtrans-60.6-46.4176-72.2169-2.700112E112 Q113 C114 L118 D119 E120E112-Q116 WeakPolarHBondContact O-CG 3.33Å; E112-Q116 PolarHBondContact O-N 2.94Å; Q113-Q116 PolarHBondContact O-N 3.26Å; C114-Q116 VanDerWaalsContact C-N 3.32Å; C114-Q116 PolarHBondContact O-N 3.43Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 3.31Å; Q116-D119 PolarHBondContact O-N 2.93Å; Q116-E120 WeakPolarHBondContact O-CG 3.4Å; Q116-E120 PolarHBondContact O-N 2.6Å
117I98.4Very high97.3Very high2 Ų252 Ų521%0.0125%0.247CC..Hα-helixtrans-58.9-42.7175.9-66.2163.1000110.6F71 L73 A101 Q113 C114 E120 L121 I145F71-I117 HydrophobicContact CD1-CG2 4Å; F71-I117 HydrophobicContact CE1-CG2 4.29Å; L73-I117 HydrophobicContact CD2-CD1 4.33Å; A101-I117 HydrophobicContact CB-CD1 3.66Å; A101-I117 HydrophobicContact CB-CG1 3.57Å; Q113-I117 HydrophobicContact CG-CD1 4.22Å; Q113-I117 VanDerWaalsContact O-CG1 3.28Å; Q113-I117 WeakPolarHBondContact O-CG1 3.49Å; Q113-I117 PolarHBondContact O-N 3.03Å; C114-I117 PolarHBondContact O-N 2.6Å; I117-E120 PolarHBondContact O-N 2.98Å; I117-L121 HydrophobicContact CG2-CD1 3.9Å; I117-L121 HydrophobicContact CG2-CG 4.41Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 VanDerWaalsContact O-CG 3.3Å; I117-L121 WeakPolarHBondContact O-CG 3.28Å; I117-L121 PolarHBondContact O-N 3.14Å; I117-I145 HydrophobicContact CD1-CD1 4.01Å; I117-I145 HydrophobicContact CG2-CD1 4.35Å; I117-I145 HydrophobicContact CG2-CG2 3.69Å
118L98.3Very high97.3Very high0 Ų055.1 Ų55.10%026%0.263CS..Hα-helixtrans-70.6-38.8-178.9-62.8173.4000112.7C114 C115 Q116 L121 Q122 I145 C148 L149 Q152 F187C114-L118 VanDerWaalsContact O-CG 3.26Å; C114-L118 WeakPolarHBondContact O-CG 3.33Å; C114-L118 PolarHBondContact O-N 2.71Å; C115-L118 PolarHBondContact O-N 3.11Å; Q116-L118 VanDerWaalsContact C-N 3.28Å; Q116-L118 PolarHBondContact O-N 3.31Å; L118-L121 HydrophobicContact CD2-CD1 4.34Å; L118-L121 PolarHBondContact O-N 3.3Å; L118-Q122 WeakPolarHBondContact O-CB 3.49Å; L118-Q122 PolarHBondContact O-N 2.57Å; L118-I145 HydrophobicContact CD2-CG2 4.44Å; L118-C148 HydrophobicContact CD1-CB 3.87Å; L118-C148 HydrophobicContact CD2-CB 4.06Å; L118-L149 HydrophobicContact CD2-CB 3.78Å; L118-L149 HydrophobicContact CD2-CD1 4.3Å; L118-Q152 VanDerWaalsContact CD1-OE1 3.29Å; L118-F187 HydrophobicContact CD1-CE2 3.83Å; L118-F187 HydrophobicContact CD1-CZ 3.46Å; L118-F187 VanDerWaalsContact CD1-CZ 3.46Å
119D96.8Very high97.3Very high50 Ų5056.8 Ų56.827%0.26727%0.266SS..Hα-helixtrans-59.8-46.8173.5-73.9-9000109.9C115 Q116 Q122 V123 R198C115-D119 WeakPolarHBondContact O-CB 3.41Å; C115-D119 VanDerWaalsContact O-CG 3.27Å; C115-D119 PolarHBondContact O-N 2.96Å; Q116-D119 PolarHBondContact O-N 2.93Å; D119-Q122 PolarHBondContact O-N 3.4Å; D119-V123 WeakPolarHBondContact O-CG2 3.43Å; D119-V123 PolarHBondContact O-N 3.49Å; D119-R198 IonicContact OD2-CZ 2.74Å; D119-R198 IonicContact OD2-NH1 3.07Å; D119-R198 PolarHBondContact OD2-NH1 2.89Å
120E98.2Very high97.3Very high80 Ų8061.4 Ų61.437%0.37428%0.283SS..Hα-helixtrans-65.5-42.3177.5-71173.6-178.700112.5F71 H99 Q116 I117 Q122 V123 C124F71-E120 HydrophobicContact CE1-CB 3.76Å; F71-E120 HydrophobicContact CZ-CB 3.72Å; H99-E120 IonicContact CG-OE2 3.37Å; H99-E120 IonicContact ND1-OE2 3.43Å; H99-E120 PolarHBondContact ND1-OE2 2.93Å; Q116-E120 WeakPolarHBondContact O-CG 3.4Å; Q116-E120 PolarHBondContact O-N 2.6Å; I117-E120 PolarHBondContact O-N 2.98Å; E120-Q122 VanDerWaalsContact C-N 3.35Å; E120-V123 PolarHBondContact O-N 3.28Å; E120-C124 PolarHBondContact O-N 2.99Å; E120-C124 PolarHBondContact O-SG 3.03Å
121L98.3Very high97.4Very high0 Ų054.3 Ų54.30%025%0.25CS..Hα-helixtrans-59-47.7173.9-81.6169.4000110.8L38 F71 I117 L118 V123 C124 L125 T131 I145 L149L38-L121 HydrophobicContact CD1-CD2 3.91Å; F71-L121 HydrophobicContact CD1-CD2 4.48Å; F71-L121 HydrophobicContact CD1-CG 4.35Å; F71-L121 HydrophobicContact CD2-CD2 3.66Å; F71-L121 HydrophobicContact CD2-CG 4.35Å; F71-L121 HydrophobicContact CE1-CD2 4.38Å; F71-L121 HydrophobicContact CE1-CG 4.04Å; F71-L121 HydrophobicContact CE2-CD2 3.56Å; F71-L121 HydrophobicContact CE2-CG 4.06Å; F71-L121 HydrophobicContact CG-CD2 4.15Å; F71-L121 HydrophobicContact CG-CG 4.5Å; F71-L121 HydrophobicContact CZ-CD2 3.93Å; F71-L121 HydrophobicContact CZ-CG 3.89Å; I117-L121 HydrophobicContact CG2-CD1 3.9Å; I117-L121 HydrophobicContact CG2-CG 4.41Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 VanDerWaalsContact O-CG 3.3Å; I117-L121 WeakPolarHBondContact O-CG 3.28Å; I117-L121 PolarHBondContact O-N 3.14Å; L118-L121 HydrophobicContact CD2-CD1 4.34Å; L118-L121 PolarHBondContact O-N 3.3Å; L121-V123 VanDerWaalsContact C-N 3.34Å; L121-V123 PolarHBondContact O-N 3.25Å; L121-C124 WeakPolarHBondContact O-CB 3.48Å; L121-C124 PolarHBondContact O-N 3.3Å; L121-C124 VanDerWaalsContact O-N 3.11Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.44Å; L121-T131 HydrophobicContact CD2-CG2 3.68Å; L121-I145 HydrophobicContact CD1-CG2 3.65Å; L121-L149 HydrophobicContact CB-CD1 4.37Å
122Q96.8Very high97.5Very high60 Ų6052.2 Ų52.228%0.2824%0.239SC..Hα-helixtrans-59.5-45.4178.6-179.5171.8-9.100111.3L118 D119 E120 C124 L125 E126L118-Q122 WeakPolarHBondContact O-CB 3.49Å; L118-Q122 PolarHBondContact O-N 2.57Å; D119-Q122 PolarHBondContact O-N 3.4Å; E120-Q122 VanDerWaalsContact C-N 3.35Å; Q122-C124 VanDerWaalsContact C-N 3.27Å; Q122-C124 PolarHBondContact O-N 3.22Å; Q122-L125 PolarHBondContact O-N 3.43Å; Q122-L125 VanDerWaalsContact O-N 3.15Å; Q122-E126 HydrophobicContact CG-CG 4.33Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.36Å; Q122-E126 PolarHBondContact NE2-OE1 3.34Å; Q122-E126 WeakPolarHBondContact O-CG 3.34Å; Q122-E126 PolarHBondContact O-N 2.97Å
123V97.6Very high97.6Very high60 Ų6047 Ų4736%0.36421%0.214SC..Hα-helixtrans-58-39.9175169.10000111.7D119 E120 L121 R127D119-V123 WeakPolarHBondContact O-CG2 3.43Å; D119-V123 PolarHBondContact O-N 3.49Å; E120-V123 PolarHBondContact O-N 3.28Å; L121-V123 VanDerWaalsContact C-N 3.34Å; L121-V123 PolarHBondContact O-N 3.25Å; V123-R127 WeakPolarHBondContact O-CB 3.34Å; V123-R127 VanDerWaalsContact O-CG 3.27Å; V123-R127 WeakPolarHBondContact O-CG 3.26Å; V123-R127 PolarHBondContact O-N 2.89Å
124C97.8Very high97.6Very high6 Ų644.8 Ų44.84%0.04120%0.204CC..Hα-helixtrans-65.2-44.5176.6-63.30000112E120 L121 Q122 R127 N128 R129 T131E120-C124 PolarHBondContact O-N 2.99Å; E120-C124 PolarHBondContact O-SG 3.03Å; L121-C124 WeakPolarHBondContact O-CB 3.48Å; L121-C124 PolarHBondContact O-N 3.3Å; L121-C124 VanDerWaalsContact O-N 3.11Å; Q122-C124 VanDerWaalsContact C-N 3.27Å; Q122-C124 PolarHBondContact O-N 3.22Å; C124-R127 CarbonylContact O-C 2.91Å; C124-R127 PolarHBondContact O-N 3.37Å; C124-N128 PolarHBondContact O-N 3.22Å; C124-R129 HydrophobicContact CB-CB 4.42Å; C124-R129 WeakPolarHBondContact O-CB 3.36Å; C124-R129 PolarHBondContact O-N 2.84Å; C124-T131 HydrophobicContact CB-CG2 4.34Å; C124-T131 VanDerWaalsContact CB-OG1 3.23Å; C124-T131 WeakPolarHBondContact CB-OG1 3.26Å
125L96.6Very high97.6Very high8 Ų844.9 Ų44.94%0.04221%0.205CC..Hα-helixtrans-64-43.7179.3-64.3176000111.7L29 Q36 L121 Q122 R127 N128 L149L29-L125 HydrophobicContact CD1-CD1 3.54Å; L29-L125 HydrophobicContact CD1-CD2 3.93Å; L29-L125 HydrophobicContact CD1-CG 4.4Å; Q36-L125 HydrophobicContact CB-CD2 3.71Å; Q36-L125 HydrophobicContact CG-CB 4.27Å; Q36-L125 HydrophobicContact CG-CD2 4.2Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.44Å; Q122-L125 PolarHBondContact O-N 3.43Å; Q122-L125 VanDerWaalsContact O-N 3.15Å; L125-R127 PolarHBondContact O-N 3.36Å; L125-N128 PolarHBondContact O-N 3.03Å; L125-L149 HydrophobicContact CD1-CD1 4.45Å; L125-L149 HydrophobicContact CD1-CD2 4.06Å
126E96.4Very high97.6Very high127 Ų12747.6 Ų47.659%0.59322%0.215SC*.Hα-helixtrans-61.8-31.1176.5-72.8173.3-177.700112.3Q122 N128Q122-E126 HydrophobicContact CG-CG 4.33Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.36Å; Q122-E126 PolarHBondContact NE2-OE1 3.34Å; Q122-E126 WeakPolarHBondContact O-CG 3.34Å; Q122-E126 PolarHBondContact O-N 2.97Å; E126-N128 PolarHBondContact O-N 2.8Å
127R97.1Very high97.5Very high181 Ų18144.8 Ų44.868%0.68321%0.209SC*.THydrogen-bonded Turntrans-84.49.3174.8-68176.2179.4-176.52.1113.5V123 C124 L125 R129V123-R127 WeakPolarHBondContact O-CB 3.34Å; V123-R127 VanDerWaalsContact O-CG 3.27Å; V123-R127 WeakPolarHBondContact O-CG 3.26Å; V123-R127 PolarHBondContact O-N 2.89Å; C124-R127 CarbonylContact O-C 2.91Å; C124-R127 PolarHBondContact O-N 3.37Å; L125-R127 PolarHBondContact O-N 3.36Å; R127-R129 HydrophobicContact CB-CG 3.93Å; R127-R129 PolarHBondContact O-N 3Å
128N96.7Very high97.4Very high110 Ų11044.7 Ų44.759%0.58821%0.209SC*.THydrogen-bonded Turntrans53.135.4-176.1-59.6-75.4000112.9Q36 C124 L125 E126Q36-N128 PolarHBondContact NE2-OD1 2.83Å; C124-N128 PolarHBondContact O-N 3.22Å; L125-N128 PolarHBondContact O-N 3.03Å; E126-N128 PolarHBondContact O-N 2.8Å
129R97.5Very high97.2Very high67 Ų6747.1 Ų47.125%0.25322%0.222SC..  trans-90135.7-180-64-158.850.686.3-8.6110.2Q68 D69 C124 R127 T131Q68-R129 VanDerWaalsContact CG-NH2 3.29Å; Q68-R129 PolarHBondContact O-NH2 3.09Å; D69-R129 IonicContact OD2-CZ 2.96Å; D69-R129 IonicContact OD2-NE 2.7Å; D69-R129 PolarHBondContact OD2-NE 3.22Å; D69-R129 IonicContact OD2-NH2 3.91Å; D69-R129 PolarHBondContact OD2-NH2 2.98Å; C124-R129 HydrophobicContact CB-CB 4.42Å; C124-R129 WeakPolarHBondContact O-CB 3.36Å; C124-R129 PolarHBondContact O-N 2.84Å; R127-R129 HydrophobicContact CB-CG 3.93Å; R127-R129 PolarHBondContact O-N 3Å; R129-T131 PolarHBondContact O-N 3.26Å; R129-T131 VanDerWaalsContact O-N 3.08Å; R129-T131 PolarHBondContact O-OG1 3.19Å
130R97.8Very high97.2Very high103 Ų10344.7 Ų44.739%0.38921%0.209SC..  trans-79.297-177.5-172.4162.6-170.41540.4109.2W26 Q65 G66 Q68 D69W26-R130 HydrophobicContact CH2-CG 3.47Å; W26-R130 VanDerWaalsContact CH2-CG 3.47Å; W26-R130 HydrophobicContact CZ2-CG 4.3Å; W26-R130 HydrophobicContact CZ3-CG 3.8Å; Q65-R130 VanDerWaalsContact O-CD 3.27Å; Q65-R130 WeakPolarHBondContact O-CD 3.44Å; Q65-R130 VanDerWaalsContact O-CZ 3.22Å; Q65-R130 PolarHBondContact O-NE 3.37Å; Q65-R130 VanDerWaalsContact O-NE 3.14Å; Q65-R130 PolarHBondContact O-NH1 2.95Å; G66-R130 WeakPolarHBondContact O-CB 3.33Å; Q68-R130 PolarHBondContact N-O 3.24Å; D69-R130 PolarHBondContact N-O 2.91Å
131T98.5Very high97.3Very high0 Ų040.9 Ų40.90%019%0.191CC..EExtended strand (participates in β ladder)trans-106.1144.2-167.9-57.20000111.9L38 G39 D69 F71 L121 C124 R129L38-T131 HydrophobicContact CD1-CG2 4.4Å; G39-T131 PolarHBondContact N-O 3Å; D69-T131 HydrophobicContact CB-CG2 3.95Å; D69-T131 WeakPolarHBondContact O-CA 3.38Å; F71-T131 HydrophobicContact CD2-CG2 3.63Å; F71-T131 HydrophobicContact CE2-CG2 3.52Å; L121-T131 HydrophobicContact CD2-CG2 3.68Å; C124-T131 HydrophobicContact CB-CG2 4.34Å; C124-T131 VanDerWaalsContact CB-OG1 3.23Å; C124-T131 WeakPolarHBondContact CB-OG1 3.26Å; R129-T131 PolarHBondContact O-N 3.26Å; R129-T131 VanDerWaalsContact O-N 3.08Å; R129-T131 PolarHBondContact O-OG1 3.19Å
132M98.3Very high97.3Very high0 Ų040.9 Ų40.90%019%0.191CC..EExtended strand (participates in β ladder)trans-131155.4171.562.5165.1-75.900112.3M24 G39 C41 L62 V67 D69 V70 F71 H134M24-M132 HydrophobicContact CE-CB 4.26Å; M24-M132 HydrophobicContact CE-CE 3.97Å; M24-M132 HydrophobicContact CE-SD 3.56Å; M24-M132 VanDerWaalsContact CE-SD 3.56Å; M24-M132 HydrophobicContact SD-CB 4.28Å; G39-M132 CarbonylContact O-C 3.49Å; G39-M132 WeakPolarHBondContact O-CA 3.24Å; G39-M132 WeakPolarHBondContact O-CB 3.48Å; C41-M132 WeakPolarHBondContact SG-CE 3.44Å; L62-M132 HydrophobicContact CD1-SD 3.84Å; L62-M132 HydrophobicContact CD2-SD 3.67Å; L62-M132 HydrophobicContact CG-SD 4.32Å; V67-M132 HydrophobicContact CG1-CB 4.44Å; V67-M132 HydrophobicContact CG1-CG 3.6Å; V67-M132 HydrophobicContact CG1-SD 3.83Å; D69-M132 PolarHBondContact O-N 2.98Å; V70-M132 HydrophobicContact CB-CG 4.27Å; V70-M132 HydrophobicContact CG1-CG 3.76Å; V70-M132 HydrophobicContact CG1-SD 3.85Å; F71-M132 PolarHBondContact N-O 3.47Å; M132-H134 HydrophobicContact CE-CB 3.84Å
133V98.6Very high97.3Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-124.5135.3171.661.10000109.9L38 G39 I40 F71 L73 I145L38-V133 HydrophobicContact CD1-CG1 4.36Å; L38-V133 HydrophobicContact CD2-CG1 4.12Å; L38-V133 HydrophobicContact CG-CG1 4.32Å; G39-V133 PolarHBondContact O-N 3.18Å; I40-V133 HydrophobicContact CG1-CG1 4.07Å; F71-V133 HydrophobicContact CB-CB 4.02Å; F71-V133 HydrophobicContact CB-CG2 3.92Å; F71-V133 WeakPolarHBondContact O-CA 3.32Å; L73-V133 HydrophobicContact CD1-CG2 3.68Å; L73-V133 HydrophobicContact CD2-CG2 4.28Å; L73-V133 HydrophobicContact CG-CG2 3.94Å; V133-I145 HydrophobicContact CG2-CG2 4.49Å
134H98.4Very high97.4Very high0 Ų035.2 Ų35.20%016%0.16CC..EExtended strand (participates in β ladder)trans-141.7153175.88387.6000112.9C41 F71 L73 Y91 M132 S142C41-H134 WeakPolarHBondContact O-CB 3.29Å; F71-H134 PolarHBondContact O-N 3.04Å; L73-H134 PolarHBondContact N-O 3.45Å; Y91-H134 AromaticContact CE2-NE2 3.7Å; Y91-H134 AromaticContact CZ-NE2 3.83Å; Y91-H134 PolarHBondContact OH-NE2 3.1Å; M132-H134 HydrophobicContact CE-CB 3.84Å; H134-S142 VanDerWaalsContact CA-OG 3.29Å; H134-S142 WeakPolarHBondContact CA-OG 3.29Å
135C97.4Very high97.4Very high1 Ų134.9 Ų34.91%0.00716%0.158CC..  trans-124.1-142.6168.566.90000107.9L43 L73 G138 R141 S142L43-C135 PolarHBondContact N-O 3.08Å; L73-C135 HydrophobicContact CB-CB 4.13Å; C135-G138 PolarHBondContact SG-N 3.23Å; C135-R141 HydrophobicContact CB-CB 3.83Å; C135-S142 PolarHBondContact N-OG 3.15Å; C135-S142 PolarHBondContact SG-OG 3.28Å; C135-S142 VanDerWaalsContact SG-OG 3.37Å
136Y97.4Very high97.5Very high58 Ų5834.5 Ų34.523%0.22716%0.156CC..SBendtrans-71.9-63.1171.1172-114.3000111.7A42 L43 Y48 C74 Y82A42-Y136 WeakPolarHBondContact CA-O 3.42Å; L43-Y136 HydrophobicContact CB-CD2 4.49Å; L43-Y136 HydrophobicContact CD2-CD2 4.28Å; L43-Y136 PolarHBondContact N-O 3.15Å; Y48-Y136 WeakPolarHBondContact CD1-OH 3.32Å; C74-Y136 PolarHBondContact SG-N 2.94Å; C74-Y136 VanDerWaalsContact SG-N 3.36Å; Y82-Y136 AromaticContact CD1-CD2 3.99Å; Y82-Y136 HydrophobicContact CD1-CD2 3.99Å; Y82-Y136 AromaticContact CD1-CE2 3.69Å; Y82-Y136 HydrophobicContact CD1-CE2 3.69Å; Y82-Y136 AromaticContact CD2-CD2 3.71Å; Y82-Y136 HydrophobicContact CD2-CD2 3.71Å; Y82-Y136 HydrophobicContact CD2-CE2 4.26Å; Y82-Y136 AromaticContact CE1-CD2 3.66Å; Y82-Y136 HydrophobicContact CE1-CD2 3.66Å; Y82-Y136 AromaticContact CE1-CE2 3.4Å; Y82-Y136 HydrophobicContact CE1-CE2 3.4Å; Y82-Y136 VanDerWaalsContact CE1-CE2 3.4Å; Y82-Y136 HydrophobicContact CE1-CG 4.39Å; Y82-Y136 AromaticContact CE1-CZ 3.99Å; Y82-Y136 AromaticContact CE2-CD2 3.37Å; Y82-Y136 HydrophobicContact CE2-CD2 3.37Å; Y82-Y136 HydrophobicContact CE2-CE2 4.04Å; Y82-Y136 AromaticContact CE2-CG 3.81Å; Y82-Y136 HydrophobicContact CE2-CG 3.81Å; Y82-Y136 HydrophobicContact CG-CD2 4.01Å; Y82-Y136 HydrophobicContact CG-CE2 4.1Å; Y82-Y136 AromaticContact CZ-CD2 3.33Å; Y82-Y136 AromaticContact CZ-CE2 3.59Å; Y82-Y136 AromaticContact CZ-CG 3.72Å
137G95.2Very high97.6Very high27 Ų2728.5 Ų28.528%0.27813%0.128SC..SBendtrans-95.9-13.2-174.200000115.6L139G137-L139 VanDerWaalsContact C-N 3.28Å; G137-L139 PolarHBondContact O-N 3.4Å
138G94.8Very high97.7Very high0 Ų019.9 Ų19.90%010%0.096CC..SBendtrans63.332.6-173.200000113.7C41 C135 R170C41-G138 WeakPolarHBondContact O-CA 3.37Å; C135-G138 PolarHBondContact SG-N 3.23Å; G138-R170 PolarHBondContact O-NE 3.02Å; G138-R170 PolarHBondContact O-NH2 3.35Å
139L95.6Very high97.8Very high51 Ų5114.6 Ų14.627%0.2677%0.068SC..SBendtrans-127.6-45.1-175.3-68.2176.3000113.8G137 A143 R170 A174 I175 Q176G137-L139 VanDerWaalsContact C-N 3.28Å; G137-L139 PolarHBondContact O-N 3.4Å; L139-A143 WeakPolarHBondContact O-CB 3.38Å; L139-R170 HydrophobicContact CD2-CB 4.06Å; L139-R170 WeakPolarHBondContact CD2-O 3.35Å; L139-A174 WeakPolarHBondContact O-CA 3.48Å; L139-I175 PolarHBondContact O-N 3.02Å; L139-I175 VanDerWaalsContact O-N 3.15Å; L139-Q176 HydrophobicContact CB-CG 4.39Å
140G97.1Very high97.8Very high0 Ų011.4 Ų11.40%06%0.056CC..SBendtrans-88.6-86.5178.700000111.7S142 A143 L144 Q176G140-S142 PolarHBondContact O-N 3.5Å; G140-A143 PolarHBondContact O-N 3.33Å; G140-L144 WeakPolarHBondContact O-CB 3.39Å; G140-L144 PolarHBondContact O-N 2.82Å; G140-Q176 VanDerWaalsContact CA-OE1 3.27Å; G140-Q176 VanDerWaalsContact N-OE1 3.17Å
141R98.4Very high97.8Very high0 Ų06.6 Ų6.60%04%0.038CC..Hα-helixtrans-55.5-46-175-64.4178.7-85.6175.8-3.3114.1L73 E78 F103 D105 C135 L144 I145L73-R141 HydrophobicContact CB-CB 4.45Å; L73-R141 HydrophobicContact CD1-CB 3.9Å; L73-R141 PolarHBondContact O-NH1 2.67Å; E78-R141 IonicContact OE1-CZ 3.3Å; E78-R141 IonicContact OE1-NH1 2.66Å; E78-R141 PolarHBondContact OE1-NH1 3.24Å; E78-R141 IonicContact OE1-NH2 2.81Å; E78-R141 PolarHBondContact OE1-NH2 3.32Å; E78-R141 IonicContact OE2-CZ 3.14Å; E78-R141 IonicContact OE2-NH1 3.43Å; E78-R141 PolarHBondContact OE2-NH1 3.19Å; F103-R141 HydrophobicContact CD2-CG 4.06Å; F103-R141 HydrophobicContact CE1-CB 4.33Å; F103-R141 HydrophobicContact CE2-CB 3.77Å; F103-R141 HydrophobicContact CE2-CG 3.35Å; F103-R141 HydrophobicContact CZ-CB 3.51Å; F103-R141 HydrophobicContact CZ-CG 3.66Å; F103-R141 PolarHBondContact O-NH1 3.2Å; F103-R141 VanDerWaalsContact O-NH1 3.09Å; D105-R141 VanDerWaalsContact CG-NH2 3.32Å; D105-R141 IonicContact OD1-CZ 2.57Å; D105-R141 VanDerWaalsContact OD1-CZ 3.22Å; D105-R141 IonicContact OD1-NE 2.76Å; D105-R141 PolarHBondContact OD1-NE 3.06Å; D105-R141 IonicContact OD1-NH2 2.98Å; D105-R141 PolarHBondContact OD1-NH2 3.36Å; C135-R141 HydrophobicContact CB-CB 3.83Å; R141-L144 WeakPolarHBondContact O-CB 3.31Å; R141-L144 PolarHBondContact O-N 3.36Å; R141-I145 PolarHBondContact O-N 2.96Å; R141-I145 VanDerWaalsContact O-N 3.08Å
142S98.4Very high97.7Very high0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-66-40.7178.9-52.30000112.5H134 C135 G140 L144 I145 A146H134-S142 VanDerWaalsContact CA-OG 3.29Å; H134-S142 WeakPolarHBondContact CA-OG 3.29Å; C135-S142 PolarHBondContact N-OG 3.15Å; C135-S142 PolarHBondContact SG-OG 3.28Å; C135-S142 VanDerWaalsContact SG-OG 3.37Å; G140-S142 PolarHBondContact O-N 3.5Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-I145 PolarHBondContact O-N 3.41Å; S142-A146 WeakPolarHBondContact O-CB 3.47Å; S142-A146 PolarHBondContact O-N 3.08Å
143A98.4Very high97.6Very high0 Ų010.2 Ų10.20%06%0.056CC..Hα-helixtrans-68.5-35.6176.400000111.4L139 G140 A146 A147 L166 A174 I175L139-A143 WeakPolarHBondContact O-CB 3.38Å; G140-A143 PolarHBondContact O-N 3.33Å; A143-A146 PolarHBondContact O-N 3.33Å; A143-A147 VanDerWaalsContact O-CB 3.27Å; A143-A147 WeakPolarHBondContact O-CB 3.1Å; A143-A147 PolarHBondContact O-N 2.86Å; A143-L166 HydrophobicContact CB-CB 4.35Å; A143-L166 HydrophobicContact CB-CD1 4.24Å; A143-L166 HydrophobicContact CB-CG 4.18Å; A143-A174 HydrophobicContact CB-CB 4.25Å; A143-I175 HydrophobicContact CB-CD1 3.91Å
144L98.7Very high97.5Very high0 Ų011 Ų110%06%0.061CC..Hα-helixtrans-57.7-52.3173.6177.173.3000111.1F103 V108 G140 R141 S142 A146 A147 C148 I175 Q180 F183 L184F103-L144 HydrophobicContact CE2-CD2 4.24Å; F103-L144 HydrophobicContact CZ-CD2 4.38Å; V108-L144 HydrophobicContact CB-CD2 4.12Å; V108-L144 HydrophobicContact CG1-CD2 3.88Å; G140-L144 WeakPolarHBondContact O-CB 3.39Å; G140-L144 PolarHBondContact O-N 2.82Å; R141-L144 WeakPolarHBondContact O-CB 3.31Å; R141-L144 PolarHBondContact O-N 3.36Å; S142-L144 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 2.8Å; L144-A147 PolarHBondContact O-N 3.49Å; L144-C148 PolarHBondContact O-N 3.19Å; L144-C148 PolarHBondContact O-SG 3.11Å; L144-I175 HydrophobicContact CB-CD1 4.36Å; L144-Q180 HydrophobicContact CD1-CB 4.08Å; L144-Q180 HydrophobicContact CD1-CG 4.39Å; L144-Q180 HydrophobicContact CD2-CG 4.21Å; L144-F183 HydrophobicContact CD1-CD1 3.97Å; L144-L184 HydrophobicContact CD1-CD1 4.2Å; L144-L184 HydrophobicContact CD1-CD2 3.89Å; L144-L184 HydrophobicContact CD1-CG 3.74Å
145I98.7Very high97.1Very high0 Ų017.1 Ų17.10%010%0.098CC..Hα-helixtrans-63-43.3179.3-65.4-59.8000111.1L73 F103 P109 I117 L118 L121 V133 R141 S142 A147 C148 L149L73-I145 HydrophobicContact CD1-CB 4.49Å; L73-I145 HydrophobicContact CD1-CG1 3.79Å; L73-I145 HydrophobicContact CD2-CG1 4.5Å; F103-I145 HydrophobicContact CE1-CD1 4.36Å; F103-I145 HydrophobicContact CE1-CG1 4.31Å; F103-I145 HydrophobicContact CZ-CD1 4.43Å; F103-I145 HydrophobicContact CZ-CG1 4.28Å; P109-I145 HydrophobicContact CG-CD1 4.27Å; I117-I145 HydrophobicContact CD1-CD1 4.01Å; I117-I145 HydrophobicContact CG2-CD1 4.35Å; I117-I145 HydrophobicContact CG2-CG2 3.69Å; L118-I145 HydrophobicContact CD2-CG2 4.44Å; L121-I145 HydrophobicContact CD1-CG2 3.65Å; V133-I145 HydrophobicContact CG2-CG2 4.49Å; R141-I145 PolarHBondContact O-N 2.96Å; R141-I145 VanDerWaalsContact O-N 3.08Å; S142-I145 PolarHBondContact O-N 3.41Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A147 PolarHBondContact O-N 2.88Å; I145-C148 PolarHBondContact O-N 3.23Å; I145-L149 PolarHBondContact O-N 3.27Å
146A98.6Very high97Very high0 Ų022.7 Ų22.70%013%0.133CC..Hα-helixtrans-61.8-40.4176.100000112.4L27 L38 I40 S142 A143 L144 L149 L150 L166L27-A146 HydrophobicContact CD2-CB 4.39Å; L38-A146 HydrophobicContact CD2-CB 3.81Å; I40-A146 HydrophobicContact CD1-CB 3.79Å; S142-A146 WeakPolarHBondContact O-CB 3.47Å; S142-A146 PolarHBondContact O-N 3.08Å; A143-A146 PolarHBondContact O-N 3.33Å; L144-A146 PolarHBondContact O-N 2.8Å; A146-L149 WeakPolarHBondContact O-CB 3.41Å; A146-L149 PolarHBondContact O-N 3.09Å; A146-L150 WeakPolarHBondContact O-CG 3.5Å; A146-L150 PolarHBondContact O-N 3.5Å; A146-L166 HydrophobicContact CB-CD1 3.92Å
147A98.6Very high97Very high0 Ų020.7 Ų20.70%013%0.126CC..Hα-helixtrans-65.6-41.3175.100000111.9A143 L144 I145 L149 L150 L151 A162 L166 L184A143-A147 VanDerWaalsContact O-CB 3.27Å; A143-A147 WeakPolarHBondContact O-CB 3.1Å; A143-A147 PolarHBondContact O-N 2.86Å; L144-A147 PolarHBondContact O-N 3.49Å; I145-A147 VanDerWaalsContact C-N 3.34Å; I145-A147 PolarHBondContact O-N 2.88Å; A147-L149 VanDerWaalsContact C-N 3.29Å; A147-L149 PolarHBondContact O-N 3.45Å; A147-L150 PolarHBondContact O-N 3.35Å; A147-L151 WeakPolarHBondContact O-CG 3.43Å; A147-L151 PolarHBondContact O-N 3.17Å; A147-A162 HydrophobicContact CB-CB 4.23Å; A147-L166 HydrophobicContact CB-CD2 3.87Å; A147-L166 HydrophobicContact CB-CG 4.33Å; A147-L184 HydrophobicContact CB-CD1 3.89Å; A147-L184 HydrophobicContact CB-CD2 3.64Å; A147-L184 HydrophobicContact CB-CG 4.46Å
148C98.6Very high97.1Very high0 Ų022.7 Ų22.70%013%0.132CC..Hα-helixtrans-61.5-39.2174.4-62.60000111.6L118 L144 I145 L151 Q152 L184 F187L118-C148 HydrophobicContact CD1-CB 3.87Å; L118-C148 HydrophobicContact CD2-CB 4.06Å; L144-C148 PolarHBondContact O-N 3.19Å; L144-C148 PolarHBondContact O-SG 3.11Å; I145-C148 PolarHBondContact O-N 3.23Å; C148-L151 PolarHBondContact O-N 3.35Å; C148-Q152 WeakPolarHBondContact O-CB 3.17Å; C148-Q152 PolarHBondContact O-N 2.97Å; C148-L184 VanDerWaalsContact SG-CD2 3.53Å; C148-F187 HydrophobicContact CB-CD2 4.35Å; C148-F187 HydrophobicContact CB-CE1 4.28Å; C148-F187 HydrophobicContact CB-CE2 4.02Å; C148-F187 HydrophobicContact CB-CZ 4Å; C148-F187 WeakPolarHBondContact O-CE1 3.47Å
149L98.4Very high97.3Very high0 Ų023.3 Ų23.30%014%0.138CC..Hα-helixtrans-61.8-45.5174.8-179.469.7000111.8L29 L38 L118 L121 L125 I145 A146 A147 L151 Q152 L153L29-L149 HydrophobicContact CD1-CD2 4.35Å; L38-L149 HydrophobicContact CD2-CD2 3.87Å; L118-L149 HydrophobicContact CD2-CB 3.78Å; L118-L149 HydrophobicContact CD2-CD1 4.3Å; L121-L149 HydrophobicContact CB-CD1 4.37Å; L125-L149 HydrophobicContact CD1-CD1 4.45Å; L125-L149 HydrophobicContact CD1-CD2 4.06Å; I145-L149 PolarHBondContact O-N 3.27Å; A146-L149 WeakPolarHBondContact O-CB 3.41Å; A146-L149 PolarHBondContact O-N 3.09Å; A147-L149 VanDerWaalsContact C-N 3.29Å; A147-L149 PolarHBondContact O-N 3.45Å; L149-L151 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 3.21Å; L149-Q152 PolarHBondContact O-N 3.17Å; L149-L153 HydrophobicContact CD1-CD1 4.07Å; L149-L153 HydrophobicContact CD1-CG 4.17Å; L149-L153 HydrophobicContact CD2-CD1 4.49Å; L149-L153 HydrophobicContact CG-CD1 3.93Å; L149-L153 HydrophobicContact CG-CG 4.36Å; L149-L153 WeakPolarHBondContact O-CB 3.38Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.26Å
150L98.4Very high97.4Very high0 Ų023.3 Ų23.30%014%0.142CC..Hα-helixtrans-59.5-43175.9-66.7178.6000111.8L27 L29 I31 V32 A146 A147 Q152 L153 S154 M157 I165 L166L27-L150 HydrophobicContact CD2-CD1 4.28Å; L27-L150 HydrophobicContact CD2-CD2 4.39Å; L27-L150 HydrophobicContact CD2-CG 4.47Å; L29-L150 HydrophobicContact CD2-CD2 3.8Å; I31-L150 HydrophobicContact CD1-CD1 4Å; I31-L150 HydrophobicContact CD1-CD2 3.66Å; I31-L150 HydrophobicContact CD1-CG 4.47Å; I31-L150 HydrophobicContact CG1-CD2 4.2Å; V32-L150 HydrophobicContact CG1-CB 4.38Å; V32-L150 HydrophobicContact CG1-CD2 3.92Å; V32-L150 HydrophobicContact CG2-CD2 3.86Å; A146-L150 WeakPolarHBondContact O-CG 3.5Å; A146-L150 PolarHBondContact O-N 3.5Å; A147-L150 PolarHBondContact O-N 3.35Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.35Å; L150-L153 PolarHBondContact O-N 2.91Å; L150-S154 PolarHBondContact O-N 2.88Å; L150-M157 HydrophobicContact CB-SD 3.72Å; L150-M157 HydrophobicContact CD1-SD 4.41Å; L150-I165 HydrophobicContact CD1-CB 4.4Å; L150-I165 HydrophobicContact CD1-CD1 4.34Å; L150-I165 HydrophobicContact CD1-CG2 3.93Å; L150-L166 HydrophobicContact CD1-CD2 3.66Å
151L98Very high97.5Very high2 Ų227.7 Ų27.71%0.0116%0.162CC..Hα-helixtrans-67.2-31.5177-66.4172.4000113A147 C148 L149 M157 A159 A162 L184 F187 R188A147-L151 WeakPolarHBondContact O-CG 3.43Å; A147-L151 PolarHBondContact O-N 3.17Å; C148-L151 PolarHBondContact O-N 3.35Å; L149-L151 VanDerWaalsContact C-N 3.31Å; L149-L151 PolarHBondContact O-N 3.21Å; L151-M157 HydrophobicContact CD2-CB 4.4Å; L151-M157 HydrophobicContact CD2-CG 4.17Å; L151-M157 WeakPolarHBondContact CD2-O 3.27Å; L151-A159 HydrophobicContact CD1-CB 4.47Å; L151-A162 HydrophobicContact CD2-CB 4.06Å; L151-A162 HydrophobicContact CG-CB 4.06Å; L151-L184 HydrophobicContact CD1-CD2 4.07Å; L151-F187 HydrophobicContact CB-CD1 3.82Å; L151-F187 HydrophobicContact CB-CE1 3.98Å; L151-F187 HydrophobicContact CD1-CB 4.46Å; L151-F187 HydrophobicContact CD1-CD1 3.99Å; L151-R188 PolarHBondContact O-NH1 3.45Å; L151-R188 PolarHBondContact O-NH2 2.94Å; L151-R188 VanDerWaalsContact O-NH2 3.13Å
152Q96.3Very high97.5Very high24 Ų2427.7 Ų27.711%0.11216%0.162CC..Hα-helixtrans-70.7-43.3173.8172.6170.3-43.600111.6L118 C148 L149 L150 Y191L118-Q152 VanDerWaalsContact CD1-OE1 3.29Å; C148-Q152 WeakPolarHBondContact O-CB 3.17Å; C148-Q152 PolarHBondContact O-N 2.97Å; L149-Q152 PolarHBondContact O-N 3.17Å; L150-Q152 VanDerWaalsContact C-N 3.32Å; L150-Q152 PolarHBondContact O-N 3.35Å; Q152-Y191 VanDerWaalsContact CD-OH 3.3Å; Q152-Y191 HydrophobicContact CG-CE1 4.21Å; Q152-Y191 PolarHBondContact OE1-OH 2.93Å
153L95.6Very high97.5Very high52 Ų5227.8 Ų27.827%0.27216%0.163SC..Hα-helixtrans-75.9-32.5-176.2-67.8176.6000113L29 V32 C34 L149 L150L29-L153 HydrophobicContact CD1-CD1 4.41Å; V32-L153 HydrophobicContact CB-CB 3.97Å; V32-L153 HydrophobicContact CG2-CB 3.77Å; V32-L153 HydrophobicContact CG2-CD1 3.8Å; V32-L153 HydrophobicContact CG2-CG 4.46Å; C34-L153 HydrophobicContact CB-CD1 4.45Å; L149-L153 HydrophobicContact CD1-CD1 4.07Å; L149-L153 HydrophobicContact CD1-CG 4.17Å; L149-L153 HydrophobicContact CD2-CD1 4.49Å; L149-L153 HydrophobicContact CG-CD1 3.93Å; L149-L153 HydrophobicContact CG-CG 4.36Å; L149-L153 WeakPolarHBondContact O-CB 3.38Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.26Å; L150-L153 PolarHBondContact O-N 2.91Å
154S96Very high97.5Very high16 Ų1633.4 Ų33.411%0.11219%0.189CC..  trans-110.7123.3176.4171.20000111.3L150 T156 M157 R188L150-S154 PolarHBondContact O-N 2.88Å; S154-T156 VanDerWaalsContact C-N 3.34Å; S154-T156 PolarHBondContact OG-N 3.34Å; S154-T156 PolarHBondContact OG-OG1 3.31Å; S154-M157 WeakPolarHBondContact OG-CB 3.25Å; S154-M157 PolarHBondContact OG-N 3.49Å; S154-R188 PolarHBondContact O-NH1 3.25Å; S154-R188 VanDerWaalsContact O-NH1 3.1Å; S154-R188 PolarHBondContact O-NH2 3.48Å
155V91.3Very high97.4Very high128 Ų12835.1 Ų35.178%0.77620%0.198SC*.SBendtrans-75-22.7175.6-68.40000113.5R188V155-R188 PolarHBondContact O-NH1 2.89Å
156T94.8Very high97.4Very high119 Ų11935.1 Ų35.173%0.7320%0.198SC*.SBendtrans-92.9-21.2-175.752.30000113.4S154S154-T156 VanDerWaalsContact C-N 3.34Å; S154-T156 PolarHBondContact OG-N 3.34Å; S154-T156 PolarHBondContact OG-OG1 3.31Å
157M97.1Very high97.3Very high16 Ų1639.9 Ų39.98%0.07922%0.216CC..  trans-65.3135.4-176.8-174.8171.1-73.500112.3I31 V32 L150 L151 S154 E161 A162 I165 R188I31-M157 HydrophobicContact CD1-CE 4.3Å; V32-M157 HydrophobicContact CG1-CE 3.54Å; V32-M157 HydrophobicContact CG1-SD 4.26Å; L150-M157 HydrophobicContact CB-SD 3.72Å; L150-M157 HydrophobicContact CD1-SD 4.41Å; L151-M157 HydrophobicContact CD2-CB 4.4Å; L151-M157 HydrophobicContact CD2-CG 4.17Å; L151-M157 WeakPolarHBondContact CD2-O 3.27Å; S154-M157 WeakPolarHBondContact OG-CB 3.25Å; S154-M157 PolarHBondContact OG-N 3.49Å; M157-E161 HydrophobicContact CG-CB 4.06Å; M157-A162 HydrophobicContact CG-CB 4.42Å; M157-A162 HydrophobicContact SD-CB 3.97Å; M157-I165 HydrophobicContact CE-CD1 3.67Å; M157-I165 HydrophobicContact SD-CD1 4.09Å; M157-R188 PolarHBondContact O-NE 3Å; M157-R188 VanDerWaalsContact O-NE 3.11Å; M157-R188 PolarHBondContact O-NH2 3.21Å
158T98Very high97.2Very high69 Ų6947.9 Ų47.942%0.42325%0.253SS..  trans-87.5157.7173.865.20000110.9S160 E161 A162T158-S160 PolarHBondContact O-N 3.25Å; T158-E161 WeakPolarHBondContact CB-OE2 3.35Å; T158-E161 PolarHBondContact N-OE2 3.43Å; T158-E161 PolarHBondContact O-N 2.91Å; T158-E161 VanDerWaalsContact OG1-CD 3.3Å; T158-E161 VanDerWaalsContact OG1-CG 3.25Å; T158-E161 WeakPolarHBondContact OG1-CG 3.47Å; T158-E161 PolarHBondContact OG1-N 2.82Å; T158-E161 PolarHBondContact OG1-OE2 3.28Å; T158-A162 PolarHBondContact O-N 3.25Å; T158-A162 VanDerWaalsContact O-N 3.11Å
159A98.1Very high97.1Very high13 Ų1350.1 Ų50.111%0.10726%0.264CS..Hα-helixtrans-57.3-39173.600000111.7L151 A162 I163 L184L151-A159 HydrophobicContact CD1-CB 4.47Å; A159-A162 PolarHBondContact O-N 3.38Å; A159-I163 WeakPolarHBondContact O-CD1 3.48Å; A159-I163 WeakPolarHBondContact O-CG1 3.47Å; A159-I163 PolarHBondContact O-N 3.03Å; A159-L184 HydrophobicContact CB-CB 4.24Å; A159-L184 WeakPolarHBondContact CB-O 3.36Å
160S98.3Very high96.9Very high51 Ų5152.3 Ų52.336%0.35727%0.272SS..Hα-helixtrans-60.6-46.8177.2-55.80000112.3T158 A162 I163 E164T158-S160 PolarHBondContact O-N 3.25Å; S160-A162 PolarHBondContact O-N 3.44Å; S160-I163 PolarHBondContact O-N 2.86Å; S160-E164 WeakPolarHBondContact O-CG 3.49Å; S160-E164 PolarHBondContact O-N 3.43Å
161E98.2Very high96.7Very high91 Ų9153.9 Ų53.943%0.42529%0.288SS..Hα-helixtrans-61.7-44.8177.2-73.1163.6145.100111.4M157 T158 I163 E164 I165M157-E161 HydrophobicContact CG-CB 4.06Å; T158-E161 WeakPolarHBondContact CB-OE2 3.35Å; T158-E161 PolarHBondContact N-OE2 3.43Å; T158-E161 PolarHBondContact O-N 2.91Å; T158-E161 VanDerWaalsContact OG1-CD 3.3Å; T158-E161 VanDerWaalsContact OG1-CG 3.25Å; T158-E161 WeakPolarHBondContact OG1-CG 3.47Å; T158-E161 PolarHBondContact OG1-N 2.82Å; T158-E161 PolarHBondContact OG1-OE2 3.28Å; E161-I163 VanDerWaalsContact C-N 3.32Å; E161-I163 PolarHBondContact O-N 3.26Å; E161-E164 PolarHBondContact O-N 3.02Å; E161-I165 WeakPolarHBondContact O-CD1 3.41Å; E161-I165 VanDerWaalsContact O-CG1 3.31Å; E161-I165 WeakPolarHBondContact O-CG1 3.43Å; E161-I165 PolarHBondContact O-N 2.75Å
162A98.3Very high96.5Very high0 Ų056.9 Ų56.90%032%0.32CS..Hα-helixtrans-60.1-42.8176.600000111.6A147 L151 M157 T158 A159 S160 I165 L166A147-A162 HydrophobicContact CB-CB 4.23Å; L151-A162 HydrophobicContact CD2-CB 4.06Å; L151-A162 HydrophobicContact CG-CB 4.06Å; M157-A162 HydrophobicContact CG-CB 4.42Å; M157-A162 HydrophobicContact SD-CB 3.97Å; T158-A162 PolarHBondContact O-N 3.25Å; T158-A162 VanDerWaalsContact O-N 3.11Å; A159-A162 PolarHBondContact O-N 3.38Å; S160-A162 PolarHBondContact O-N 3.44Å; A162-I165 PolarHBondContact O-N 2.93Å; A162-L166 WeakPolarHBondContact O-CD2 3.17Å; A162-L166 PolarHBondContact O-N 3.38Å; A162-L166 VanDerWaalsContact O-N 3.08Å
163I98.5Very high96.3Very high3 Ų358 Ų582%0.01534%0.337CS..Hα-helixtrans-61.8-44.5176.4-67.9162.2000111A159 S160 E161 L166 R167 I175 Y181 L184A159-I163 WeakPolarHBondContact O-CD1 3.48Å; A159-I163 WeakPolarHBondContact O-CG1 3.47Å; A159-I163 PolarHBondContact O-N 3.03Å; S160-I163 PolarHBondContact O-N 2.86Å; E161-I163 VanDerWaalsContact C-N 3.32Å; E161-I163 PolarHBondContact O-N 3.26Å; I163-L166 PolarHBondContact O-N 3.32Å; I163-R167 HydrophobicContact CG2-CG 4.44Å; I163-R167 WeakPolarHBondContact O-CG 3.39Å; I163-R167 PolarHBondContact O-N 3.49Å; I163-I175 HydrophobicContact CG1-CG1 4.24Å; I163-I175 HydrophobicContact CG2-CG1 4.27Å; I163-Y181 HydrophobicContact CD1-CD2 3.67Å; I163-Y181 HydrophobicContact CD1-CE2 3.76Å; I163-L184 HydrophobicContact CD1-CB 4.47Å; I163-L184 HydrophobicContact CD1-CD1 3.98Å; I163-L184 HydrophobicContact CG1-CD1 3.52Å
164E98.3Very high96.3Very high117 Ų11755.5 Ų55.555%0.54732%0.324SS..Hα-helixtrans-62.1-46.6178.5-75.6178.4176.400111.6S160 E161 L166 R167 E168S160-E164 WeakPolarHBondContact O-CG 3.49Å; S160-E164 PolarHBondContact O-N 3.43Å; E161-E164 PolarHBondContact O-N 3.02Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 2.93Å; E164-R167 PolarHBondContact O-N 3.05Å; E164-E168 WeakPolarHBondContact O-CG 3.36Å; E164-E168 PolarHBondContact O-N 2.88Å
165I98.1Very high96.4Very high37 Ų3755.2 Ų55.219%0.1932%0.321CS..Hα-helixtrans-54.3-46.2174.6-70.7157.2000110.9L27 I31 L150 M157 E161 A162 R167 E168 H169L27-I165 HydrophobicContact CD1-CG2 3.83Å; I31-I165 HydrophobicContact CD1-CD1 3.63Å; I31-I165 HydrophobicContact CD1-CG1 4.32Å; I31-I165 HydrophobicContact CD1-CG2 3.87Å; L150-I165 HydrophobicContact CD1-CB 4.4Å; L150-I165 HydrophobicContact CD1-CD1 4.34Å; L150-I165 HydrophobicContact CD1-CG2 3.93Å; M157-I165 HydrophobicContact CE-CD1 3.67Å; M157-I165 HydrophobicContact SD-CD1 4.09Å; E161-I165 WeakPolarHBondContact O-CD1 3.41Å; E161-I165 VanDerWaalsContact O-CG1 3.31Å; E161-I165 WeakPolarHBondContact O-CG1 3.43Å; E161-I165 PolarHBondContact O-N 2.75Å; A162-I165 PolarHBondContact O-N 2.93Å; I165-R167 VanDerWaalsContact C-N 3.35Å; I165-R167 PolarHBondContact O-N 3.3Å; I165-E168 PolarHBondContact O-N 3.44Å; I165-H169 VanDerWaalsContact O-CB 3.25Å; I165-H169 WeakPolarHBondContact O-CB 3.4Å; I165-H169 PolarHBondContact O-N 3.29Å
166L97.9Very high96.7Very high0 Ų054 Ų540%031%0.307CS..Hα-helixtrans-69.8-31.8180-86.8-52.6000112.5L27 I40 A143 A146 A147 L150 A162 I163 E164 H169 R170 A174L27-L166 HydrophobicContact CD2-CD1 4.32Å; I40-L166 HydrophobicContact CD1-CD1 3.97Å; A143-L166 HydrophobicContact CB-CB 4.35Å; A143-L166 HydrophobicContact CB-CD1 4.24Å; A143-L166 HydrophobicContact CB-CG 4.18Å; A146-L166 HydrophobicContact CB-CD1 3.92Å; A147-L166 HydrophobicContact CB-CD2 3.87Å; A147-L166 HydrophobicContact CB-CG 4.33Å; L150-L166 HydrophobicContact CD1-CD2 3.66Å; A162-L166 WeakPolarHBondContact O-CD2 3.17Å; A162-L166 PolarHBondContact O-N 3.38Å; A162-L166 VanDerWaalsContact O-N 3.08Å; I163-L166 PolarHBondContact O-N 3.32Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 2.93Å; L166-H169 PolarHBondContact O-N 3.42Å; L166-R170 WeakPolarHBondContact O-CB 3.48Å; L166-R170 PolarHBondContact O-N 3.28Å; L166-A174 HydrophobicContact CB-CB 4.36Å; L166-A174 WeakPolarHBondContact O-CB 3.21Å
167R97.7Very high96.9Very high99 Ų9950.4 Ų50.437%0.37429%0.285SS..Hα-helixtrans-71.4-37.1174.3-76.5175.8175.3168.10112.6I163 E164 I165 H169 G171 A174I163-R167 HydrophobicContact CG2-CG 4.44Å; I163-R167 WeakPolarHBondContact O-CG 3.39Å; I163-R167 PolarHBondContact O-N 3.49Å; E164-R167 PolarHBondContact O-N 3.05Å; I165-R167 VanDerWaalsContact C-N 3.35Å; I165-R167 PolarHBondContact O-N 3.3Å; R167-H169 VanDerWaalsContact C-N 3.33Å; R167-G171 WeakPolarHBondContact CA-O 3.45Å; R167-G171 CarbonylContact O-C 2.98Å; R167-G171 WeakPolarHBondContact O-CA 3.35Å; R167-G171 PolarHBondContact O-N 3.3Å; R167-A174 HydrophobicContact CG-CB 3.99Å; R167-A174 PolarHBondContact NE-O 3.1Å
168E96.3Very high96.9Very high169 Ų16954.8 Ų54.879%0.7931%0.312SS*.Hα-helixtrans-65.9-40.4171.4-69.9-178.6168.100110.8E164 I165E164-E168 WeakPolarHBondContact O-CG 3.36Å; E164-E168 PolarHBondContact O-N 2.88Å; I165-E168 PolarHBondContact O-N 3.44Å
169H94.8Very high96.9Very high47 Ų4756.9 Ų56.922%0.21832%0.316CS..Hα-helixtrans-77.7-35-175.8-164.566.5000114.2S25 W26 L27 I165 L166 R167S25-H169 WeakPolarHBondContact CB-NE2 3.25Å; S25-H169 PolarHBondContact OG-CD2 3.47Å; S25-H169 VanDerWaalsContact OG-CD2 3.25Å; S25-H169 PolarHBondContact OG-CE1 3Å; S25-H169 VanDerWaalsContact OG-CE1 3.28Å; S25-H169 PolarHBondContact OG-NE2 2.85Å; S25-H169 PolarHBondContact OG-O 3.14Å; W26-H169 PolarHBondContact O-CE1 3.32Å; W26-H169 VanDerWaalsContact O-CE1 3.22Å; L27-H169 HydrophobicContact CD1-CB 4.29Å; L27-H169 PolarHBondContact N-NE2 3.27Å; I165-H169 VanDerWaalsContact O-CB 3.25Å; I165-H169 WeakPolarHBondContact O-CB 3.4Å; I165-H169 PolarHBondContact O-N 3.29Å; L166-H169 PolarHBondContact O-N 3.42Å; R167-H169 VanDerWaalsContact C-N 3.33Å
170R94.8Very high96.9Very high45 Ų4556.3 Ų56.317%0.1731%0.311CS..Hα-helixtrans-119.21-173.7-60.7-60.1-61.3148.40.8114I40 G138 L139 L166 A174I40-R170 HydrophobicContact CD1-CG 4.34Å; I40-R170 HydrophobicContact CG2-CG 4.47Å; G138-R170 PolarHBondContact O-NE 3.02Å; G138-R170 PolarHBondContact O-NH2 3.35Å; L139-R170 HydrophobicContact CD2-CB 4.06Å; L139-R170 WeakPolarHBondContact CD2-O 3.35Å; L166-R170 WeakPolarHBondContact O-CB 3.48Å; L166-R170 PolarHBondContact O-N 3.28Å; R170-A174 HydrophobicContact CB-CB 4.17Å
171G94.1Very high97Very high34 Ų3458.4 Ų58.435%0.35131%0.312SS..  trans93.7159.4-176.400000112.8R167 G173 A174R167-G171 WeakPolarHBondContact CA-O 3.45Å; R167-G171 CarbonylContact O-C 2.98Å; R167-G171 WeakPolarHBondContact O-CA 3.35Å; R167-G171 PolarHBondContact O-N 3.3Å; G171-G173 PolarHBondContact O-N 3.31Å; G171-A174 WeakPolarHBondContact O-CB 3Å; G171-A174 PolarHBondContact O-N 2.88Å
172G93.3Very high97Very high65 Ų6557.6 Ų57.667%0.6731%0.31SS*.THydrogen-bonded Turntrans-58.8-13-173.600000116A174G172-A174 VanDerWaalsContact C-N 3.33Å
173G92.4Very high97Very high46 Ų4658.2 Ų58.247%0.47431%0.313SS..THydrogen-bonded Turntrans-83.22172.400000115G171 Q176G171-G173 PolarHBondContact O-N 3.31Å; G173-Q176 WeakPolarHBondContact O-CG 3.46Å
174A96.7Very high97Very high0 Ų058.2 Ų58.20%031%0.313CS..  trans-66.6142172.800000111L139 A143 L166 R167 R170 G171 G172L139-A174 WeakPolarHBondContact O-CA 3.48Å; A143-A174 HydrophobicContact CB-CB 4.25Å; L166-A174 HydrophobicContact CB-CB 4.36Å; L166-A174 WeakPolarHBondContact O-CB 3.21Å; R167-A174 HydrophobicContact CG-CB 3.99Å; R167-A174 PolarHBondContact NE-O 3.1Å; R170-A174 HydrophobicContact CB-CB 4.17Å; G171-A174 WeakPolarHBondContact O-CB 3Å; G171-A174 PolarHBondContact O-N 2.88Å; G172-A174 VanDerWaalsContact C-N 3.33Å
175I97.8Very high97Very high11 Ų1156.6 Ų56.66%0.05631%0.305CS..SBendtrans61.488.1-169.1-49.5-55.6000109.8L139 A143 L144 I163 Q180 L184L139-I175 PolarHBondContact O-N 3.02Å; L139-I175 VanDerWaalsContact O-N 3.15Å; A143-I175 HydrophobicContact CB-CD1 3.91Å; L144-I175 HydrophobicContact CB-CD1 4.36Å; I163-I175 HydrophobicContact CG1-CG1 4.24Å; I163-I175 HydrophobicContact CG2-CG1 4.27Å; I175-Q180 HydrophobicContact CG2-CB 3.89Å; I175-L184 HydrophobicContact CD1-CD1 3.82Å; I175-L184 HydrophobicContact CG1-CD1 4.09Å; I175-L184 HydrophobicContact CG2-CD1 4.29Å
176Q97.2Very high97Very high102 Ų10258.9 Ų58.948%0.47732%0.315SS..  trans-88.3-24.7-160.4-69.1-175.9-6800113.9L139 G140 G173L139-Q176 HydrophobicContact CB-CG 4.39Å; G140-Q176 VanDerWaalsContact CA-OE1 3.27Å; G140-Q176 VanDerWaalsContact N-OE1 3.17Å; G173-Q176 WeakPolarHBondContact O-CG 3.46Å
177T98.3Very high97Very high44 Ų4458.9 Ų58.927%0.2732%0.315SS..SBendtrans-126.1154-17371.40000112.2G106 K179 Q180 Y181G106-T177 WeakPolarHBondContact O-CB 3.47Å; G106-T177 WeakPolarHBondContact O-CG2 3.09Å; G106-T177 PolarHBondContact O-OG1 2.91Å; T177-K179 PolarHBondContact O-N 2.66Å; T177-Q180 WeakPolarHBondContact O-CB 3.4Å; T177-Q180 PolarHBondContact O-N 2.76Å; T177-Q180 VanDerWaalsContact O-N 3.1Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.37Å; T177-Q180 PolarHBondContact OG1-N 3.19Å; T177-Y181 PolarHBondContact O-N 3.25Å
178V98.1Very high96.8Very high107 Ų10758.1 Ų58.165%0.64831%0.312SS*.Hα-helixtrans-58.7-34174.3178.50000110.9Q180 Y181 N182V178-Q180 PolarHBondContact O-N 3.15Å; V178-Y181 PolarHBondContact O-N 3.49Å; V178-N182 WeakPolarHBondContact O-CB 3.43Å; V178-N182 VanDerWaalsContact O-CG 3.25Å; V178-N182 PolarHBondContact O-N 2.96Å; V178-N182 PolarHBondContact O-OD1 3.36Å
179K98.2Very high96.7Very high114 Ų11457.5 Ų57.550%0.49631%0.309SS..Hα-helixtrans-59.4-46.8174.6-63.8-170.6-178.6-171.90111.9D107 V108 T177 N182 F183D107-K179 VanDerWaalsContact OD1-CD 3.25Å; D107-K179 WeakPolarHBondContact OD1-CD 3.4Å; D107-K179 IonicContact OD1-NZ 3.72Å; D107-K179 PolarHBondContact OD1-NZ 3.26Å; D107-K179 IonicContact OD2-NZ 2.68Å; D107-K179 PolarHBondContact OD2-NZ 3.41Å; V108-K179 HydrophobicContact CG1-CB 4.34Å; T177-K179 PolarHBondContact O-N 2.66Å; K179-N182 PolarHBondContact O-N 2.96Å; K179-F183 WeakPolarHBondContact O-CB 3.27Å; K179-F183 PolarHBondContact O-N 3.12Å
180Q98.6Very high96.7Very high0 Ų058.9 Ų58.90%032%0.315CS..Hα-helixtrans-64.5-42178.2-69.9171.4-900111.7D107 V108 L144 I175 T177 V178 F183 L184D107-Q180 PolarHBondContact O-NE2 3.05Å; D107-Q180 VanDerWaalsContact O-NE2 3.12Å; V108-Q180 HydrophobicContact CG1-CB 4.29Å; V108-Q180 HydrophobicContact CG1-CG 3.8Å; L144-Q180 HydrophobicContact CD1-CB 4.08Å; L144-Q180 HydrophobicContact CD1-CG 4.39Å; L144-Q180 HydrophobicContact CD2-CG 4.21Å; I175-Q180 HydrophobicContact CG2-CB 3.89Å; T177-Q180 WeakPolarHBondContact O-CB 3.4Å; T177-Q180 PolarHBondContact O-N 2.76Å; T177-Q180 VanDerWaalsContact O-N 3.1Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.37Å; T177-Q180 PolarHBondContact OG1-N 3.19Å; V178-Q180 PolarHBondContact O-N 3.15Å; Q180-F183 PolarHBondContact O-N 2.93Å; Q180-L184 WeakPolarHBondContact O-CG 3.48Å; Q180-L184 PolarHBondContact O-N 3.38Å
181Y98.5Very high96.6Very high96 Ų9657.9 Ų57.938%0.37631%0.311SS..Hα-helixtrans-58.9-52.9174.8-177.4-88.6000111.6I163 T177 V178 F183 L184 H185I163-Y181 HydrophobicContact CD1-CD2 3.67Å; I163-Y181 HydrophobicContact CD1-CE2 3.76Å; T177-Y181 PolarHBondContact O-N 3.25Å; V178-Y181 PolarHBondContact O-N 3.49Å; Y181-F183 VanDerWaalsContact C-N 3.31Å; Y181-F183 PolarHBondContact O-N 3.18Å; Y181-L184 PolarHBondContact O-N 3.37Å; Y181-H185 AromaticContact CD1-CD2 3.69Å; Y181-H185 AromaticContact CE1-CD2 3.28Å; Y181-H185 WeakPolarHBondContact CE1-CD2 3.4Å; Y181-H185 AromaticContact CE1-NE2 3.4Å; Y181-H185 WeakPolarHBondContact CE1-NE2 3.28Å; Y181-H185 AromaticContact CE2-NE2 3.61Å; Y181-H185 AromaticContact CZ-CD2 3.49Å; Y181-H185 VanDerWaalsContact CZ-CD2 3.49Å; Y181-H185 AromaticContact CZ-NE2 3.07Å; Y181-H185 PolarHBondContact O-CD2 2.86Å; Y181-H185 PolarHBondContact O-N 3.1Å; Y181-H185 PolarHBondContact OH-NE2 2.74Å; Y181-H185 VanDerWaalsContact OH-NE2 3.07Å
182N98.4Very high96.6Very high74 Ų7458.3 Ų58.340%0.39631%0.312SS..Hα-helixtrans-61.4-40.8180-68.4-5.8000111.6V178 K179 L184 H185 E186V178-N182 WeakPolarHBondContact O-CB 3.43Å; V178-N182 VanDerWaalsContact O-CG 3.25Å; V178-N182 PolarHBondContact O-N 2.96Å; V178-N182 PolarHBondContact O-OD1 3.36Å; K179-N182 PolarHBondContact O-N 2.96Å; N182-L184 VanDerWaalsContact C-N 3.3Å; N182-L184 PolarHBondContact O-N 3.06Å; N182-H185 PolarHBondContact O-N 3.07Å; N182-E186 WeakPolarHBondContact O-CG 3.31Å; N182-E186 PolarHBondContact O-N 3.07Å
183F98.6Very high96.5Very high13 Ų1357.9 Ų57.96%0.05730%0.301CS..Hα-helixtrans-57.9-42.3177.1-175.7-85000112.3V108 P109 C114 L144 K179 Q180 Y181 E186 F187V108-F183 HydrophobicContact CB-CB 4.23Å; V108-F183 HydrophobicContact CB-CD2 3.81Å; V108-F183 HydrophobicContact CB-CE2 4.35Å; V108-F183 HydrophobicContact CB-CG 4.03Å; V108-F183 HydrophobicContact CG1-CB 3.71Å; V108-F183 HydrophobicContact CG1-CD2 4.26Å; V108-F183 HydrophobicContact CG1-CG 4.02Å; V108-F183 HydrophobicContact CG2-CB 4.49Å; V108-F183 HydrophobicContact CG2-CD2 3.77Å; V108-F183 HydrophobicContact CG2-CE2 4.38Å; V108-F183 HydrophobicContact CG2-CG 4.37Å; P109-F183 HydrophobicContact CG-CZ 4.42Å; C114-F183 HydrophobicContact CB-CZ 4.03Å; L144-F183 HydrophobicContact CD1-CD1 3.97Å; K179-F183 WeakPolarHBondContact O-CB 3.27Å; K179-F183 PolarHBondContact O-N 3.12Å; Q180-F183 PolarHBondContact O-N 2.93Å; Y181-F183 VanDerWaalsContact C-N 3.31Å; Y181-F183 PolarHBondContact O-N 3.18Å; F183-E186 CarbonylContact O-C 3.6Å; F183-E186 PolarHBondContact O-N 3.17Å; F183-F187 AromaticContact CE1-CD2 3.98Å; F183-F187 HydrophobicContact CE1-CD2 3.98Å; F183-F187 HydrophobicContact CZ-CD2 4.48Å; F183-F187 WeakPolarHBondContact O-CA 3.25Å; F183-F187 WeakPolarHBondContact O-CB 3.47Å; F183-F187 PolarHBondContact O-N 3.4Å
184L98.5Very high96.5Very high3 Ų357 Ų572%0.01628%0.284CS..Hα-helixtrans-65.6-39.1177.1-70.6172.7000112.6L144 A147 C148 L151 A159 I163 I175 Q180 Y181 N182 E186 F187L144-L184 HydrophobicContact CD1-CD1 4.2Å; L144-L184 HydrophobicContact CD1-CD2 3.89Å; L144-L184 HydrophobicContact CD1-CG 3.74Å; A147-L184 HydrophobicContact CB-CD1 3.89Å; A147-L184 HydrophobicContact CB-CD2 3.64Å; A147-L184 HydrophobicContact CB-CG 4.46Å; C148-L184 VanDerWaalsContact SG-CD2 3.53Å; L151-L184 HydrophobicContact CD1-CD2 4.07Å; A159-L184 HydrophobicContact CB-CB 4.24Å; A159-L184 WeakPolarHBondContact CB-O 3.36Å; I163-L184 HydrophobicContact CD1-CB 4.47Å; I163-L184 HydrophobicContact CD1-CD1 3.98Å; I163-L184 HydrophobicContact CG1-CD1 3.52Å; I175-L184 HydrophobicContact CD1-CD1 3.82Å; I175-L184 HydrophobicContact CG1-CD1 4.09Å; I175-L184 HydrophobicContact CG2-CD1 4.29Å; Q180-L184 WeakPolarHBondContact O-CG 3.48Å; Q180-L184 PolarHBondContact O-N 3.38Å; Y181-L184 PolarHBondContact O-N 3.37Å; N182-L184 VanDerWaalsContact C-N 3.3Å; N182-L184 PolarHBondContact O-N 3.06Å; L184-E186 VanDerWaalsContact C-N 3.32Å; L184-E186 PolarHBondContact O-N 3.35Å; L184-F187 WeakPolarHBondContact O-CB 3.46Å; L184-F187 PolarHBondContact O-N 3.28Å
185H98.4Very high96.1Very high83 Ų8361.3 Ų61.338%0.38430%0.303SS..Hα-helixtrans-67.6-33176.7-82.6-77.5000113Y181 N182Y181-H185 AromaticContact CD1-CD2 3.69Å; Y181-H185 AromaticContact CE1-CD2 3.28Å; Y181-H185 WeakPolarHBondContact CE1-CD2 3.4Å; Y181-H185 AromaticContact CE1-NE2 3.4Å; Y181-H185 WeakPolarHBondContact CE1-NE2 3.28Å; Y181-H185 AromaticContact CE2-NE2 3.61Å; Y181-H185 AromaticContact CZ-CD2 3.49Å; Y181-H185 VanDerWaalsContact CZ-CD2 3.49Å; Y181-H185 AromaticContact CZ-NE2 3.07Å; Y181-H185 PolarHBondContact O-CD2 2.86Å; Y181-H185 PolarHBondContact O-N 3.1Å; Y181-H185 PolarHBondContact OH-NE2 2.74Å; Y181-H185 VanDerWaalsContact OH-NE2 3.07Å; N182-H185 PolarHBondContact O-N 3.07Å
186E97.6Very high95.8Very high84 Ų8467.2 Ų67.239%0.39333%0.33SS..Hα-helixtrans-88.5-8.8177.7-65169.3-164.100112.9N182 F183 L184 R188 E189 K190N182-E186 WeakPolarHBondContact O-CG 3.31Å; N182-E186 PolarHBondContact O-N 3.07Å; F183-E186 CarbonylContact O-C 3.6Å; F183-E186 PolarHBondContact O-N 3.17Å; L184-E186 VanDerWaalsContact C-N 3.32Å; L184-E186 PolarHBondContact O-N 3.35Å; E186-R188 PolarHBondContact O-N 3.49Å; E186-E189 PolarHBondContact O-N 2.68Å; E186-K190 HydrophobicContact CB-CD 4.19Å; E186-K190 WeakPolarHBondContact O-CB 3.1Å; E186-K190 WeakPolarHBondContact O-CG 3.12Å; E186-K190 PolarHBondContact O-N 2.83Å; E186-K190 VanDerWaalsContact O-N 3.16Å; E186-K190 VanDerWaalsContact OE2-CE 3.28Å; E186-K190 WeakPolarHBondContact OE2-CE 3.45Å; E186-K190 IonicContact OE2-NZ 2.92Å; E186-K190 PolarHBondContact OE2-NZ 3.3Å
187F97.7Very high95.3Very high1 Ų165.6 Ų65.60%0.00433%0.33CS..Hα-helixtrans-60.3-47.3-168.2174.9-106.4000112.8L118 C148 L151 F183 L184 E189 K190 Y191L118-F187 HydrophobicContact CD1-CE2 3.83Å; L118-F187 HydrophobicContact CD1-CZ 3.46Å; L118-F187 VanDerWaalsContact CD1-CZ 3.46Å; C148-F187 HydrophobicContact CB-CD2 4.35Å; C148-F187 HydrophobicContact CB-CE1 4.28Å; C148-F187 HydrophobicContact CB-CE2 4.02Å; C148-F187 HydrophobicContact CB-CZ 4Å; C148-F187 WeakPolarHBondContact O-CE1 3.47Å; L151-F187 HydrophobicContact CB-CD1 3.82Å; L151-F187 HydrophobicContact CB-CE1 3.98Å; L151-F187 HydrophobicContact CD1-CB 4.46Å; L151-F187 HydrophobicContact CD1-CD1 3.99Å; F183-F187 AromaticContact CE1-CD2 3.98Å; F183-F187 HydrophobicContact CE1-CD2 3.98Å; F183-F187 HydrophobicContact CZ-CD2 4.48Å; F183-F187 WeakPolarHBondContact O-CA 3.25Å; F183-F187 WeakPolarHBondContact O-CB 3.47Å; F183-F187 PolarHBondContact O-N 3.4Å; L184-F187 WeakPolarHBondContact O-CB 3.46Å; L184-F187 PolarHBondContact O-N 3.28Å; F187-E189 PolarHBondContact O-N 3.24Å; F187-K190 PolarHBondContact O-N 2.83Å; F187-Y191 HydrophobicContact CE1-CG 4.34Å; F187-Y191 HydrophobicContact CE2-CD2 4.3Å; F187-Y191 HydrophobicContact CE2-CG 4.45Å; F187-Y191 AromaticContact CZ-CD2 3.94Å; F187-Y191 HydrophobicContact CZ-CD2 3.94Å; F187-Y191 AromaticContact CZ-CG 3.96Å; F187-Y191 HydrophobicContact CZ-CG 3.96Å; F187-Y191 WeakPolarHBondContact O-CB 3.41Å; F187-Y191 PolarHBondContact O-N 3.34Å
188R94.2Very high94.7Very high82 Ų8268.8 Ų68.831%0.30934%0.337SS..Hα-helixtrans-60-47-176.4-78.8-173-174.2-68-16.1112.6L151 S154 V155 M157 E186 Y191 A192L151-R188 PolarHBondContact O-NH1 3.45Å; L151-R188 PolarHBondContact O-NH2 2.94Å; L151-R188 VanDerWaalsContact O-NH2 3.13Å; S154-R188 PolarHBondContact O-NH1 3.25Å; S154-R188 VanDerWaalsContact O-NH1 3.1Å; S154-R188 PolarHBondContact O-NH2 3.48Å; V155-R188 PolarHBondContact O-NH1 2.89Å; M157-R188 PolarHBondContact O-NE 3Å; M157-R188 VanDerWaalsContact O-NE 3.11Å; M157-R188 PolarHBondContact O-NH2 3.21Å; E186-R188 PolarHBondContact O-N 3.49Å; R188-Y191 PolarHBondContact O-N 3.45Å; R188-A192 WeakPolarHBondContact O-CB 3.38Å; R188-A192 PolarHBondContact O-N 2.9Å
189E95Very high93.9Very high156 Ų15669.4 Ų69.473%0.72933%0.333SS*.Hα-helixtrans-62.3-49.5179.9-176.8-175.9170.100110.4E186 F187 Y191 A192 A193E186-E189 PolarHBondContact O-N 2.68Å; F187-E189 PolarHBondContact O-N 3.24Å; E189-Y191 PolarHBondContact O-N 3.28Å; E189-A192 PolarHBondContact O-N 3.35Å; E189-A193 PolarHBondContact O-N 3.37Å; E189-A193 VanDerWaalsContact O-N 3.07Å
190K94.4Very high93Very high76 Ų7665.8 Ų65.833%0.3333%0.325SS..Hα-helixtrans-60.9-43.5177.7-74.8-178.4-177.71720112.3L111 E186 F187 A193 Y194L111-K190 HydrophobicContact CD1-CB 3.76Å; L111-K190 HydrophobicContact CD2-CB 3.71Å; L111-K190 HydrophobicContact CD2-CG 4.46Å; L111-K190 WeakPolarHBondContact CD2-O 3.47Å; L111-K190 HydrophobicContact CG-CB 4.36Å; E186-K190 HydrophobicContact CB-CD 4.19Å; E186-K190 WeakPolarHBondContact O-CB 3.1Å; E186-K190 WeakPolarHBondContact O-CG 3.12Å; E186-K190 PolarHBondContact O-N 2.83Å; E186-K190 VanDerWaalsContact O-N 3.16Å; E186-K190 VanDerWaalsContact OE2-CE 3.28Å; E186-K190 WeakPolarHBondContact OE2-CE 3.45Å; E186-K190 IonicContact OE2-NZ 2.92Å; E186-K190 PolarHBondContact OE2-NZ 3.3Å; F187-K190 PolarHBondContact O-N 2.83Å; K190-A193 PolarHBondContact O-N 2.83Å; K190-Y194 WeakPolarHBondContact O-CB 3.46Å; K190-Y194 PolarHBondContact O-N 3.1Å
191Y93.4Very high92Very high24 Ų2468.6 Ų68.69%0.09434%0.344CS..Hα-helixtrans-66-40.3-179.9-177.4-111.4000112.2Q152 F187 R188 E189 Y194 K195Q152-Y191 VanDerWaalsContact CD-OH 3.3Å; Q152-Y191 HydrophobicContact CG-CE1 4.21Å; Q152-Y191 PolarHBondContact OE1-OH 2.93Å; F187-Y191 HydrophobicContact CE1-CG 4.34Å; F187-Y191 HydrophobicContact CE2-CD2 4.3Å; F187-Y191 HydrophobicContact CE2-CG 4.45Å; F187-Y191 AromaticContact CZ-CD2 3.94Å; F187-Y191 HydrophobicContact CZ-CD2 3.94Å; F187-Y191 AromaticContact CZ-CG 3.96Å; F187-Y191 HydrophobicContact CZ-CG 3.96Å; F187-Y191 WeakPolarHBondContact O-CB 3.41Å; F187-Y191 PolarHBondContact O-N 3.34Å; R188-Y191 PolarHBondContact O-N 3.45Å; E189-Y191 PolarHBondContact O-N 3.28Å; Y191-Y194 PolarHBondContact O-N 3.32Å; Y191-K195 HydrophobicContact CE1-CD 3.83Å; Y191-K195 HydrophobicContact CE1-CG 4.41Å; Y191-K195 HydrophobicContact CE2-CG 4.46Å; Y191-K195 PolarHBondContact O-N 2.79Å
192A92.3Very high90.9Very high44 Ų4468 Ų6836%0.36435%0.351SS..Hα-helixtrans-61.3-49.8173.800000111.4R188 E189 Y194 K195 E196R188-A192 WeakPolarHBondContact O-CB 3.38Å; R188-A192 PolarHBondContact O-N 2.9Å; E189-A192 PolarHBondContact O-N 3.35Å; A192-Y194 VanDerWaalsContact C-N 3.28Å; A192-Y194 PolarHBondContact O-N 2.89Å; A192-K195 PolarHBondContact O-N 2.9Å; A192-K195 VanDerWaalsContact O-N 3.14Å; A192-E196 PolarHBondContact O-N 2.86Å
193A92.3Very high89.7Confident55 Ų5571 Ų7146%0.45536%0.362SS..Hα-helixtrans-60.1-3817700000112.5E189 K190 S197E189-A193 PolarHBondContact O-N 3.37Å; E189-A193 VanDerWaalsContact O-N 3.07Å; K190-A193 PolarHBondContact O-N 2.83Å; A193-S197 WeakPolarHBondContact O-CB 3.29Å; A193-S197 PolarHBondContact O-N 3.07Å; A193-S197 VanDerWaalsContact O-N 3.1Å
194Y91.4Very high88.2Confident28 Ų2879.6 Ų79.611%0.1139%0.394CS..Hα-helixtrans-62-46.5174.8175.3-97000111.7E112 C115 K190 Y191 A192 S197 R198E112-Y194 HydrophobicContact CB-CE2 4.03Å; E112-Y194 HydrophobicContact CG-CE2 3.98Å; C115-Y194 HydrophobicContact CB-CD1 3.81Å; C115-Y194 HydrophobicContact CB-CE1 3.32Å; C115-Y194 HydrophobicContact CB-CE2 4.4Å; C115-Y194 WeakPolarHBondContact SG-CD1 3.17Å; C115-Y194 VanDerWaalsContact SG-CE1 3.6Å; K190-Y194 WeakPolarHBondContact O-CB 3.46Å; K190-Y194 PolarHBondContact O-N 3.1Å; Y191-Y194 PolarHBondContact O-N 3.32Å; A192-Y194 VanDerWaalsContact C-N 3.28Å; A192-Y194 PolarHBondContact O-N 2.89Å; Y194-S197 PolarHBondContact O-N 3.31Å; Y194-S197 PolarHBondContact O-OG 3.43Å; Y194-R198 HydrophobicContact CE1-CG 4.27Å; Y194-R198 HydrophobicContact CE2-CG 4.5Å; Y194-R198 PolarHBondContact O-N 3.14Å; Y194-R198 VanDerWaalsContact O-N 3.07Å; Y194-R198 VanDerWaalsContact OH-CD 3.28Å; Y194-R198 WeakPolarHBondContact OH-CD 3.43Å; Y194-R198 PolarHBondContact OH-NH1 2.69Å
195K89.4Confident86.6Confident91 Ų9183.6 Ų83.640%0.39642%0.422SS..Hα-helixtrans-61.9-46.2178.8-74.6-161.4-72.5-173.70112.4Y191 A192 S197 R198 E199Y191-K195 HydrophobicContact CE1-CD 3.83Å; Y191-K195 HydrophobicContact CE1-CG 4.41Å; Y191-K195 HydrophobicContact CE2-CG 4.46Å; Y191-K195 PolarHBondContact O-N 2.79Å; A192-K195 PolarHBondContact O-N 2.9Å; A192-K195 VanDerWaalsContact O-N 3.14Å; K195-S197 VanDerWaalsContact C-N 3.28Å; K195-S197 PolarHBondContact O-N 2.93Å; K195-R198 PolarHBondContact O-N 3.13Å; K195-R198 VanDerWaalsContact O-N 3.14Å; K195-E199 WeakPolarHBondContact O-CG 3.03Å; K195-E199 PolarHBondContact O-N 2.65Å
196E90.3Very high84.7Confident134 Ų13485.1 Ų85.163%0.62644%0.437SS*.Hα-helixtrans-58.1-41.1176.1-69.5175-173.600111.8A192 R198 E199 A200A192-E196 PolarHBondContact O-N 2.86Å; E196-R198 PolarHBondContact O-N 2.8Å; E196-E199 PolarHBondContact O-N 2.92Å; E196-A200 WeakPolarHBondContact O-CB 3.42Å; E196-A200 PolarHBondContact O-N 2.93Å
197S87.9Confident82.9Confident69 Ų6986 Ų8648%0.48345%0.453SS..Hα-helixtrans-67.1-34.7178.578.70000113.2A193 Y194 K195 S201A193-S197 WeakPolarHBondContact O-CB 3.29Å; A193-S197 PolarHBondContact O-N 3.07Å; A193-S197 VanDerWaalsContact O-N 3.1Å; Y194-S197 PolarHBondContact O-N 3.31Å; Y194-S197 PolarHBondContact O-OG 3.43Å; K195-S197 VanDerWaalsContact C-N 3.28Å; K195-S197 PolarHBondContact O-N 2.93Å; S197-S201 WeakPolarHBondContact O-CB 3.22Å; S197-S201 PolarHBondContact O-N 3.18Å; S197-S201 VanDerWaalsContact O-N 3.16Å; S197-S201 PolarHBondContact O-OG 2.8Å
198R85.7Confident80.4Confident110 Ų11099.6 Ų99.642%0.41550%0.504SS..Hα-helixtrans-71.9-40.3176.1-87.8-173.764175.6-6.5112.5D119 Y194 K195 E196 S201 T202D119-R198 IonicContact OD2-CZ 2.74Å; D119-R198 IonicContact OD2-NH1 3.07Å; D119-R198 PolarHBondContact OD2-NH1 2.89Å; Y194-R198 HydrophobicContact CE1-CG 4.27Å; Y194-R198 HydrophobicContact CE2-CG 4.5Å; Y194-R198 PolarHBondContact O-N 3.14Å; Y194-R198 VanDerWaalsContact O-N 3.07Å; Y194-R198 VanDerWaalsContact OH-CD 3.28Å; Y194-R198 WeakPolarHBondContact OH-CD 3.43Å; Y194-R198 PolarHBondContact OH-NH1 2.69Å; K195-R198 PolarHBondContact O-N 3.13Å; K195-R198 VanDerWaalsContact O-N 3.14Å; E196-R198 PolarHBondContact O-N 2.8Å; R198-S201 WeakPolarHBondContact CA-OG 3.14Å; R198-S201 PolarHBondContact O-N 2.98Å; R198-S201 PolarHBondContact O-OG 2.78Å; R198-T202 WeakPolarHBondContact O-CB 3.45Å; R198-T202 PolarHBondContact O-N 2.94Å; R198-T202 PolarHBondContact O-OG1 2.76Å
199E81.7Confident79.8Confident121 Ų121100.5 Ų100.557%0.56551%0.514SS*.Hα-helixtrans-63.5-48.7176.3-71.2172-177.800110.5K195 E196 S201 T202 E203K195-E199 WeakPolarHBondContact O-CG 3.03Å; K195-E199 PolarHBondContact O-N 2.65Å; E196-E199 PolarHBondContact O-N 2.92Å; E199-S201 VanDerWaalsContact C-N 3.3Å; E199-S201 PolarHBondContact O-N 3.24Å; E199-T202 PolarHBondContact O-N 2.76Å; E199-T202 VanDerWaalsContact O-N 3.12Å; E199-E203 WeakPolarHBondContact O-CG 3.2Å; E199-E203 PolarHBondContact O-N 3.22Å
200A79.6Confident78.9Confident38 Ų3897.6 Ų97.631%0.31450%0.502SS..Hα-helixtrans-61.6-33.9178.800000113.8E196 R204E196-A200 WeakPolarHBondContact O-CB 3.42Å; E196-A200 PolarHBondContact O-N 2.93Å; A200-R204 WeakPolarHBondContact O-CD 3.47Å; A200-R204 VanDerWaalsContact O-CG 3.25Å; A200-R204 WeakPolarHBondContact O-CG 3.36Å; A200-R204 PolarHBondContact O-N 3.02Å
201S77.2Confident78.1Confident59 Ų5998.8 Ų98.841%0.41351%0.512SS..Hα-helixtrans-75.1-34176.155.10000112.7S197 R198 E199 S205S197-S201 WeakPolarHBondContact O-CB 3.22Å; S197-S201 PolarHBondContact O-N 3.18Å; S197-S201 VanDerWaalsContact O-N 3.16Å; S197-S201 PolarHBondContact O-OG 2.8Å; R198-S201 WeakPolarHBondContact CA-OG 3.14Å; R198-S201 PolarHBondContact O-N 2.98Å; R198-S201 PolarHBondContact O-OG 2.78Å; E199-S201 VanDerWaalsContact C-N 3.3Å; E199-S201 PolarHBondContact O-N 3.24Å; S201-S205 PolarHBondContact O-N 3.1Å; S201-S205 PolarHBondContact O-OG 2.9Å
202T75.8Confident77.2Confident83 Ų83103.2 Ų103.251%0.50954%0.537SS..Hα-helixtrans-68.3-46.8176.1-53.90000111R198 E199 R204 S205 V206R198-T202 WeakPolarHBondContact O-CB 3.45Å; R198-T202 PolarHBondContact O-N 2.94Å; R198-T202 PolarHBondContact O-OG1 2.76Å; E199-T202 PolarHBondContact O-N 2.76Å; E199-T202 VanDerWaalsContact O-N 3.12Å; T202-R204 VanDerWaalsContact C-N 3.32Å; T202-R204 PolarHBondContact O-N 3.3Å; T202-S205 WeakPolarHBondContact O-CB 3.49Å; T202-S205 PolarHBondContact O-N 2.92Å; T202-V206 WeakPolarHBondContact O-CG2 3.42Å; T202-V206 PolarHBondContact O-N 3.25Å; T202-V206 VanDerWaalsContact O-N 3.14Å
203E71.3Confident76.2Confident137 Ų137106.9 Ų106.964%0.6455%0.547SS*.Hα-helixtrans-59.8-39.6178-70.8-179.8166.100113E199 S205 S207E199-E203 WeakPolarHBondContact O-CG 3.2Å; E199-E203 PolarHBondContact O-N 3.22Å; E203-S205 VanDerWaalsContact C-N 3.26Å; E203-S205 PolarHBondContact O-N 2.96Å; E203-S207 PolarHBondContact O-N 2.99Å; E203-S207 PolarHBondContact O-OG 3.45Å
204R68.8Low75.2Confident194 Ų194110.3 Ų110.373%0.73255%0.554SS**Hα-helixtrans-67-26.3175.6-73.9174.6-177.1-179.53.3113.3A200 T202A200-R204 WeakPolarHBondContact O-CD 3.47Å; A200-R204 VanDerWaalsContact O-CG 3.25Å; A200-R204 WeakPolarHBondContact O-CG 3.36Å; A200-R204 PolarHBondContact O-N 3.02Å; T202-R204 VanDerWaalsContact C-N 3.32Å; T202-R204 PolarHBondContact O-N 3.3Å
205S63.2Low74Confident86 Ų86116.2 Ų116.260%0.60159%0.585SS**Hα-helixtrans-84.4-29.4-178.5-57.50000112.5S201 T202 E203S201-S205 PolarHBondContact O-N 3.1Å; S201-S205 PolarHBondContact O-OG 2.9Å; T202-S205 WeakPolarHBondContact O-CB 3.49Å; T202-S205 PolarHBondContact O-N 2.92Å; E203-S205 VanDerWaalsContact C-N 3.26Å; E203-S205 PolarHBondContact O-N 2.96Å
206V60Low72.8Confident115 Ų115118.2 Ų118.270%0.69760%0.6SS**Hα-helixtrans-83.5-17.9178-177.40000112.3T202 R208T202-V206 WeakPolarHBondContact O-CG2 3.42Å; T202-V206 PolarHBondContact O-N 3.25Å; T202-V206 VanDerWaalsContact O-N 3.14Å; V206-R208 VanDerWaalsContact C-N 3.27Å; V206-R208 PolarHBondContact O-N 3.34Å
207S58.8Low71.4Confident103 Ų103116.8 Ų116.872%0.7260%0.598SS**THydrogen-bonded Turntrans-85.113.6179.2-55.50000114.5E203E203-S207 PolarHBondContact O-N 2.99Å; E203-S207 PolarHBondContact O-OG 3.45Å
208R46.5Very low69.9Low287 Ų287121.2 Ų121.2100%1.08361%0.608SS**  trans-118.30177.4-76.2-173.3174.9-167.4-0.6110.8V206V206-R208 VanDerWaalsContact C-N 3.27Å; V206-R208 PolarHBondContact O-N 3.34Å

Retrieved 208 of 208 residues in 175.1 ms (Link to these results)

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