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Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB , UniProt , Accession G4LUS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 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
1M38.3Very low63.4Low238 Ų238124.4 Ų124.4100%1.17269%0.691SS**  01100-68.6-173.8-178.900107T3M1-T3 PolarHBondContact O-N 3.11Å
2A49.7Very low65.1Low103 Ų103119.9 Ų119.985%0.85167%0.669SS**  trans-71.9110.4172.800000107.3R4A2-R4 VanDerWaalsContact C-N 3.26Å; A2-R4 PolarHBondContact O-N 3.49Å
3T48.5Very low66.6Low143 Ų143121.5 Ų121.588%0.87767%0.668SS**  trans-63.793169.3-21.70000106.2M1 M5M1-T3 PolarHBondContact O-N 3.11Å; T3-M5 PolarHBondContact O-N 2.85Å
4R54.8Low68Low169 Ų169118.5 Ų118.564%0.63865%0.649SS**PPolyproline II helixtrans-61.6129.1-179.8-162.7-177.8-170.21625.8107.4A2 S6 E124 R126A2-R4 VanDerWaalsContact C-N 3.26Å; A2-R4 PolarHBondContact O-N 3.49Å; R4-S6 PolarHBondContact O-N 3.42Å; R4-E124 IonicContact NH1-OE1 3.6Å; R4-E124 PolarHBondContact NH1-OE1 3.05Å; R4-E124 IonicContact NH1-OE2 3.21Å; R4-R126 VanDerWaalsContact NH2-NH2 3.19Å
5M57.8Low69Low158 Ų158112.9 Ų112.978%0.77862%0.618SS**PPolyproline II helixtrans-52.7131.9176.9-73.617561.800109.2T3T3-M5 PolarHBondContact O-N 2.85Å
6S63.5Low70Confident91 Ų91118.4 Ų118.464%0.63663%0.627SS**PPolyproline II helixtrans-54.6146.7166.452.40000108.9R4 M8R4-S6 PolarHBondContact O-N 3.42Å; S6-M8 WeakPolarHBondContact O-CG 3.45Å; S6-M8 PolarHBondContact O-N 3.21Å
7D65.5Low71.1Confident61 Ų61122.6 Ų122.633%0.32663%0.632SS.*PPolyproline II helixtrans-52.1128.7178.3-139.842.5000110.9D11 V12 N15D7-D11 HydrophobicContact CB-CB 4.46Å; D7-D11 WeakPolarHBondContact OD1-CB 3.21Å; D7-D11 VanDerWaalsContact OD2-CB 3.27Å; D7-D11 WeakPolarHBondContact OD2-CB 3.44Å; D7-D11 VanDerWaalsContact OD2-O 3.13Å; D7-V12 HydrophobicContact CB-CG2 3.89Å; D7-V12 WeakPolarHBondContact O-CG2 3.49Å; D7-V12 WeakPolarHBondContact OD2-CA 3.4Å; D7-V12 PolarHBondContact OD2-N 3.15Å; D7-V12 VanDerWaalsContact OD2-N 3.08Å; D7-N15 PolarHBondContact OD2-ND2 3.26Å
8M75.7Confident71.9Confident126 Ų126118.6 Ų118.662%0.62161%0.612SS**  trans-123.1139.5-175-69.4-72-99.400111.2S6 M10 D11S6-M8 WeakPolarHBondContact O-CG 3.45Å; S6-M8 PolarHBondContact O-N 3.21Å; M8-M10 PolarHBondContact O-N 3.46Å; M8-D11 PolarHBondContact O-N 3.16Å
9G81Confident72.7Confident53 Ų53113.5 Ų113.555%0.54659%0.586SS.*THydrogen-bonded Turntrans58.4-105.1168.700000114.1Q13G9-Q13 PolarHBondContact O-N 3.18Å
10M82.5Confident73.5Confident141 Ų141112.3 Ų112.370%0.69559%0.587SS**Hα-helixtrans-67.4-38.5-174-168.7179.5-74.700112.4M8 V12 Q13 I14M8-M10 PolarHBondContact O-N 3.46Å; M10-V12 VanDerWaalsContact C-N 3.33Å; M10-V12 PolarHBondContact O-N 3.5Å; M10-Q13 WeakPolarHBondContact O-CB 3.41Å; M10-Q13 PolarHBondContact O-N 3.41Å; M10-I14 HydrophobicContact CG-CD1 3.97Å; M10-I14 HydrophobicContact CG-CG1 4.47Å; M10-I14 WeakPolarHBondContact O-CG1 3.49Å; M10-I14 PolarHBondContact O-N 3.13Å
11D80.3Confident74.4Confident85 Ų85113.4 Ų113.446%0.45559%0.588SS.*Hα-helixtrans-65.7-38.6-178.6-64-47.5000111.4D7 M8 Q13 I14 N15D7-D11 HydrophobicContact CB-CB 4.46Å; D7-D11 WeakPolarHBondContact OD1-CB 3.21Å; D7-D11 VanDerWaalsContact OD2-CB 3.27Å; D7-D11 WeakPolarHBondContact OD2-CB 3.44Å; D7-D11 VanDerWaalsContact OD2-O 3.13Å; M8-D11 PolarHBondContact O-N 3.16Å; D11-Q13 VanDerWaalsContact C-N 3.3Å; D11-Q13 PolarHBondContact O-N 3.14Å; D11-I14 PolarHBondContact O-N 3.46Å; D11-N15 WeakPolarHBondContact O-CB 3.47Å; D11-N15 PolarHBondContact O-N 3.24Å
12V83.2Confident77Confident71 Ų71104 Ų10443%0.4354%0.54SS..Hα-helixtrans-60.5-42.5175178.30000110.7D7 M10 R16D7-V12 HydrophobicContact CB-CG2 3.89Å; D7-V12 WeakPolarHBondContact O-CG2 3.49Å; D7-V12 WeakPolarHBondContact OD2-CA 3.4Å; D7-V12 PolarHBondContact OD2-N 3.15Å; D7-V12 VanDerWaalsContact OD2-N 3.08Å; M10-V12 VanDerWaalsContact C-N 3.33Å; M10-V12 PolarHBondContact O-N 3.5Å; V12-R16 VanDerWaalsContact O-CB 3.25Å; V12-R16 WeakPolarHBondContact O-CB 3.49Å; V12-R16 PolarHBondContact O-N 3.02Å
13Q85.1Confident79Confident141 Ų141102.3 Ų102.366%0.65952%0.516SS*.Hα-helixtrans-66-41.5177.9-67179.98.400111.6G9 M10 D11 R16 R17G9-Q13 PolarHBondContact O-N 3.18Å; M10-Q13 WeakPolarHBondContact O-CB 3.41Å; M10-Q13 PolarHBondContact O-N 3.41Å; D11-Q13 VanDerWaalsContact C-N 3.3Å; D11-Q13 PolarHBondContact O-N 3.14Å; Q13-R16 PolarHBondContact O-N 3Å; Q13-R17 WeakPolarHBondContact O-CB 3.4Å; Q13-R17 PolarHBondContact O-N 2.97Å
14I85.8Confident81.2Confident79 Ų7999 Ų9941%0.40550%0.504SS..Hα-helixtrans-62.5-51.9176.1-68.9166.5000109.9M10 D11 R16 R17 L18M10-I14 HydrophobicContact CG-CD1 3.97Å; M10-I14 HydrophobicContact CG-CG1 4.47Å; M10-I14 WeakPolarHBondContact O-CG1 3.49Å; M10-I14 PolarHBondContact O-N 3.13Å; D11-I14 PolarHBondContact O-N 3.46Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 3.09Å; I14-R17 PolarHBondContact O-N 3.49Å; I14-R17 VanDerWaalsContact O-N 3.12Å; I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CG 3.16Å; I14-L18 PolarHBondContact O-N 3.36Å
15N82.7Confident83.1Confident34 Ų3498.9 Ų98.918%0.18251%0.51CS..Hα-helixtrans-61.7-38.8179.6-78.1-28.5000111.7D7 D11 L18 N19D7-N15 PolarHBondContact OD2-ND2 3.26Å; D11-N15 WeakPolarHBondContact O-CB 3.47Å; D11-N15 PolarHBondContact O-N 3.24Å; N15-L18 PolarHBondContact O-N 3.39Å; N15-N19 WeakPolarHBondContact O-CB 3.44Å; N15-N19 PolarHBondContact O-N 2.81Å; N15-N19 PolarHBondContact O-ND2 2.92Å
16R86.3Confident84.9Confident202 Ų20292.8 Ų92.876%0.76248%0.483SS*.Hα-helixtrans-62.1-44.2173.9-168.3179.7-160.9-172.95.8111.9V12 Q13 I14 S20V12-R16 VanDerWaalsContact O-CB 3.25Å; V12-R16 WeakPolarHBondContact O-CB 3.49Å; V12-R16 PolarHBondContact O-N 3.02Å; Q13-R16 PolarHBondContact O-N 3Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 3.09Å; R16-S20 WeakPolarHBondContact O-CB 3.19Å; R16-S20 PolarHBondContact O-N 2.93Å
17R88.4Confident86.5Confident189 Ų18989.1 Ų89.171%0.71346%0.456SS*.Hα-helixtrans-70.3-33.5179.7-173.5177.9-175.4173.42.2112.9Q13 I14 S20Q13-R17 WeakPolarHBondContact O-CB 3.4Å; Q13-R17 PolarHBondContact O-N 2.97Å; I14-R17 PolarHBondContact O-N 3.49Å; I14-R17 VanDerWaalsContact O-N 3.12Å; R17-S20 PolarHBondContact O-OG 2.92Å
18L85.9Confident88Confident51 Ų5187.9 Ų87.927%0.26745%0.454SS..Hα-helixtrans-67.1-53.8173.5-72.2173.5000109.5I14 N15 S20 K21 N127 P129I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CG 3.16Å; I14-L18 PolarHBondContact O-N 3.36Å; N15-L18 PolarHBondContact O-N 3.39Å; L18-S20 VanDerWaalsContact C-N 3.25Å; L18-S20 PolarHBondContact O-N 3.28Å; L18-K21 VanDerWaalsContact O-CB 3.31Å; L18-K21 WeakPolarHBondContact O-CB 3.35Å; L18-K21 PolarHBondContact O-N 3.39Å; L18-N127 HydrophobicContact CD1-CB 4.42Å; L18-P129 WeakPolarHBondContact O-CG 3.2Å
19N86.7Confident89Confident21 Ų2186 Ų8611%0.11244%0.444CS..Hα-helixtrans-68.3-19.6-177.3-70.9-66.5000114.2N15 K21 Y22 R46 R126N15-N19 WeakPolarHBondContact O-CB 3.44Å; N15-N19 PolarHBondContact O-N 2.81Å; N15-N19 PolarHBondContact O-ND2 2.92Å; N19-K21 PolarHBondContact O-N 3.08Å; N19-Y22 VanDerWaalsContact O-CB 3.24Å; N19-Y22 WeakPolarHBondContact O-CB 3.45Å; N19-Y22 PolarHBondContact O-N 3.48Å; N19-Y22 VanDerWaalsContact O-N 3.12Å; N19-R46 VanDerWaalsContact CG-CZ 3.47Å; N19-R46 PolarHBondContact ND2-NH2 3.19Å; N19-R46 PolarHBondContact OD1-NE 3.12Å; N19-R46 PolarHBondContact OD1-NH2 3.41Å; N19-R126 PolarHBondContact ND2-O 3.24Å
20S88.7Confident89.8Confident89 Ų8983.5 Ų83.562%0.62242%0.418SS*.THydrogen-bonded Turntrans-67.2-13.5171.169.70000113.4R16 R17 L18 Y22R16-S20 WeakPolarHBondContact O-CB 3.19Å; R16-S20 PolarHBondContact O-N 2.93Å; R17-S20 PolarHBondContact O-OG 2.92Å; L18-S20 VanDerWaalsContact C-N 3.25Å; L18-S20 PolarHBondContact O-N 3.28Å; S20-Y22 VanDerWaalsContact C-N 3.26Å
21K91.4Very high90.5Very high136 Ų13676.8 Ų76.859%0.59139%0.385SS*.THydrogen-bonded Turntrans-86.34173.5-58179.5177.7-177.70112.9L18 N19 D23 P129L18-K21 VanDerWaalsContact O-CB 3.31Å; L18-K21 WeakPolarHBondContact O-CB 3.35Å; L18-K21 PolarHBondContact O-N 3.39Å; N19-K21 PolarHBondContact O-N 3.08Å; K21-D23 PolarHBondContact O-N 3.2Å; K21-P129 HydrophobicContact CB-CB 4.27Å; K21-P129 HydrophobicContact CB-CG 4.34Å
22Y92.6Very high91.3Very high42 Ų4276.9 Ų76.917%0.16539%0.385CS..  trans-73.3105.8175.9-165.1-88.8000109N19 S20 E27 R46 M128 P129 L132N19-Y22 VanDerWaalsContact O-CB 3.24Å; N19-Y22 WeakPolarHBondContact O-CB 3.45Å; N19-Y22 PolarHBondContact O-N 3.48Å; N19-Y22 VanDerWaalsContact O-N 3.12Å; S20-Y22 VanDerWaalsContact C-N 3.26Å; Y22-E27 HydrophobicContact CE1-CB 4.33Å; Y22-E27 HydrophobicContact CE1-CG 4.41Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.45Å; Y22-E27 VanDerWaalsContact OH-CG 3.25Å; Y22-E27 WeakPolarHBondContact OH-CG 3.47Å; Y22-E27 PolarHBondContact OH-OE2 3.28Å; Y22-E27 VanDerWaalsContact OH-OE2 3.07Å; Y22-R46 HydrophobicContact CD1-CB 4.16Å; Y22-R46 HydrophobicContact CD2-CG 4.22Å; Y22-R46 HydrophobicContact CE1-CB 3.7Å; Y22-R46 HydrophobicContact CE1-CG 4.34Å; Y22-R46 HydrophobicContact CE2-CB 4.21Å; Y22-R46 HydrophobicContact CE2-CG 4.04Å; Y22-R46 HydrophobicContact CG-CG 4.47Å; Y22-R46 WeakPolarHBondContact OH-CA 3.47Å; Y22-M128 HydrophobicContact CD2-CB 3.75Å; Y22-M128 HydrophobicContact CE2-CB 3.73Å; Y22-P129 HydrophobicContact CD2-CG 3.99Å; Y22-P129 HydrophobicContact CG-CG 4.37Å; Y22-L132 HydrophobicContact CD2-CD1 3.89Å; Y22-L132 HydrophobicContact CE1-CD1 4.49Å; Y22-L132 HydrophobicContact CE2-CD1 3.34Å; Y22-L132 HydrophobicContact CE2-CG 3.93Å
23D93.1Very high92Very high67 Ų6773.9 Ų73.936%0.35837%0.366SS..  trans-106.5143.4178.968.4103.1000111.6K21 E25 S26 E27K21-D23 PolarHBondContact O-N 3.2Å; D23-E25 VanDerWaalsContact C-N 3.31Å; D23-E25 PolarHBondContact O-N 3.25Å; D23-S26 WeakPolarHBondContact OD1-CB 3.35Å; D23-S26 PolarHBondContact OD1-N 3.22Å; D23-S26 PolarHBondContact OD1-OG 3.38Å; D23-S26 WeakPolarHBondContact OD2-CB 3.31Å; D23-S26 PolarHBondContact OD2-OG 3.13Å; D23-E27 PolarHBondContact O-N 3.05Å
24A94.3Very high92.6Very high74 Ų7467.1 Ų67.161%0.61234%0.335SS*.Hα-helixtrans-72.3-23.8-17500000113.1A28A24-A28 VanDerWaalsContact O-CB 3.28Å; A24-A28 WeakPolarHBondContact O-CB 3.46Å; A24-A28 PolarHBondContact O-N 3.37Å
25E95.1Very high93.2Very high165 Ų16564.5 Ų64.577%0.77132%0.321SS*.Hα-helixtrans-72.8-48.7179.7-66.2-177.6179.300111D23 E27 A28 E29D23-E25 VanDerWaalsContact C-N 3.31Å; D23-E25 PolarHBondContact O-N 3.25Å; E25-E27 VanDerWaalsContact C-N 3.27Å; E25-E27 PolarHBondContact O-N 3.47Å; E25-A28 PolarHBondContact O-N 3.09Å; E25-E29 PolarHBondContact O-N 3.32Å
26S94.6Very high93.9Very high30 Ų3069.2 Ų69.221%0.2134%0.342CS..Hα-helixtrans-61-37.4173.5-63.30000111.9D23 A30D23-S26 WeakPolarHBondContact OD1-CB 3.35Å; D23-S26 PolarHBondContact OD1-N 3.22Å; D23-S26 PolarHBondContact OD1-OG 3.38Å; D23-S26 WeakPolarHBondContact OD2-CB 3.31Å; D23-S26 PolarHBondContact OD2-OG 3.13Å; S26-A30 VanDerWaalsContact O-CB 3.26Å; S26-A30 WeakPolarHBondContact O-CB 3.25Å; S26-A30 PolarHBondContact O-N 3.46Å
27E97.2Very high94.3Very high14 Ų1460.7 Ų60.77%0.06531%0.312CS..Hα-helixtrans-62.1-52172.7-172.7-164.8151.400110.8Y22 D23 E25 E29 A30 I31 F44 G45 V49 L132Y22-E27 HydrophobicContact CE1-CB 4.33Å; Y22-E27 HydrophobicContact CE1-CG 4.41Å; Y22-E27 WeakPolarHBondContact CE1-OE2 3.45Å; Y22-E27 VanDerWaalsContact OH-CG 3.25Å; Y22-E27 WeakPolarHBondContact OH-CG 3.47Å; Y22-E27 PolarHBondContact OH-OE2 3.28Å; Y22-E27 VanDerWaalsContact OH-OE2 3.07Å; D23-E27 PolarHBondContact O-N 3.05Å; E25-E27 VanDerWaalsContact C-N 3.27Å; E25-E27 PolarHBondContact O-N 3.47Å; E27-E29 VanDerWaalsContact C-N 3.3Å; E27-E29 PolarHBondContact O-N 3.08Å; E27-A30 PolarHBondContact O-N 3.36Å; E27-I31 HydrophobicContact CG-CG1 3.95Å; E27-I31 VanDerWaalsContact O-CB 3.26Å; E27-I31 WeakPolarHBondContact O-CB 3.43Å; E27-I31 VanDerWaalsContact O-CG1 3.25Å; E27-I31 WeakPolarHBondContact O-CG1 3.27Å; E27-I31 PolarHBondContact O-N 2.83Å; E27-F44 HydrophobicContact CG-CD1 4.47Å; E27-F44 WeakPolarHBondContact OE1-CA 3.43Å; E27-F44 WeakPolarHBondContact OE1-CB 3.2Å; E27-G45 PolarHBondContact OE1-N 2.88Å; E27-V49 HydrophobicContact CG-CG2 4.24Å; E27-L132 HydrophobicContact CB-CD1 3.84Å; E27-L132 HydrophobicContact CG-CD1 4.41Å; E27-L132 HydrophobicContact CG-CD2 4.47Å
28A97Very high94.7Very high35 Ų3551.8 Ų51.829%0.28928%0.278SS..Hα-helixtrans-56.7-46.3-17900000111.2A24 E25 N32 F44A24-A28 VanDerWaalsContact O-CB 3.28Å; A24-A28 WeakPolarHBondContact O-CB 3.46Å; A24-A28 PolarHBondContact O-N 3.37Å; E25-A28 PolarHBondContact O-N 3.09Å; A28-N32 WeakPolarHBondContact O-CB 3.37Å; A28-N32 PolarHBondContact O-N 3.21Å; A28-N32 PolarHBondContact O-ND2 3.33Å; A28-F44 HydrophobicContact CB-CE1 4.48Å
29E97.2Very high95.1Very high88 Ų8856.4 Ų56.441%0.41130%0.303SS..Hα-helixtrans-63.3-53178.9-170.1-176.4168.600112E25 E27 I31 W33 L136 G153E25-E29 PolarHBondContact O-N 3.32Å; E27-E29 VanDerWaalsContact C-N 3.3Å; E27-E29 PolarHBondContact O-N 3.08Å; E29-I31 PolarHBondContact O-N 2.88Å; E29-W33 VanDerWaalsContact O-CB 3.31Å; E29-W33 WeakPolarHBondContact O-CB 3.12Å; E29-W33 PolarHBondContact O-N 3.5Å; E29-W33 VanDerWaalsContact O-N 3.08Å; E29-L136 HydrophobicContact CB-CD2 4.22Å; E29-L136 HydrophobicContact CG-CD2 4.09Å; E29-G153 PolarHBondContact OE1-N 2.94Å
30A97.3Very high95.5Very high0 Ų059 Ų590%032%0.315CS..Hα-helixtrans-65-41.2-176.300000112.5S26 E27 L34 L132 L135 L136S26-A30 VanDerWaalsContact O-CB 3.26Å; S26-A30 WeakPolarHBondContact O-CB 3.25Å; S26-A30 PolarHBondContact O-N 3.46Å; E27-A30 PolarHBondContact O-N 3.36Å; A30-L34 VanDerWaalsContact O-CB 3.25Å; A30-L34 WeakPolarHBondContact O-CB 3.45Å; A30-L34 PolarHBondContact O-N 3.38Å; A30-L132 HydrophobicContact CB-CD2 4.15Å; A30-L135 HydrophobicContact CB-CB 4.1Å; A30-L135 HydrophobicContact CB-CD1 4.34Å; A30-L136 HydrophobicContact CB-CD2 3.97Å; A30-L136 HydrophobicContact CB-CG 4.26Å
31I97.6Very high95.8Very high0 Ų061.7 Ų61.70%032%0.322CS..Hα-helixtrans-78.6-37.3-176.3-60.1-56.7000111.7E27 E29 W33 L34 N35 V42 F44 V49 L132E27-I31 HydrophobicContact CG-CG1 3.95Å; E27-I31 VanDerWaalsContact O-CB 3.26Å; E27-I31 WeakPolarHBondContact O-CB 3.43Å; E27-I31 VanDerWaalsContact O-CG1 3.25Å; E27-I31 WeakPolarHBondContact O-CG1 3.27Å; E27-I31 PolarHBondContact O-N 2.83Å; E29-I31 PolarHBondContact O-N 2.88Å; I31-W33 VanDerWaalsContact C-N 3.32Å; I31-W33 PolarHBondContact O-N 3.12Å; I31-L34 PolarHBondContact O-N 3.15Å; I31-N35 VanDerWaalsContact O-CB 3.3Å; I31-N35 WeakPolarHBondContact O-CB 2.97Å; I31-N35 VanDerWaalsContact O-CG 3.27Å; I31-N35 PolarHBondContact O-N 3.47Å; I31-N35 PolarHBondContact O-ND2 3.23Å; I31-V42 HydrophobicContact CD1-CG1 4.37Å; I31-V42 HydrophobicContact CG2-CB 3.94Å; I31-V42 HydrophobicContact CG2-CG1 3.97Å; I31-F44 HydrophobicContact CB-CD1 4.34Å; I31-F44 HydrophobicContact CB-CE1 3.94Å; I31-F44 HydrophobicContact CG2-CD1 4.27Å; I31-F44 HydrophobicContact CG2-CE1 3.95Å; I31-V49 HydrophobicContact CD1-CB 4.43Å; I31-V49 HydrophobicContact CD1-CG1 3.61Å; I31-V49 HydrophobicContact CD1-CG2 3.94Å; I31-V49 HydrophobicContact CG1-CG1 4.34Å; I31-V49 HydrophobicContact CG1-CG2 3.85Å; I31-L132 HydrophobicContact CD1-CD2 4.47Å
32N97.6Very high96Very high87 Ų8755.4 Ų55.447%0.46530%0.295SS..Hα-helixtrans-60.3-45.6170.9-79-43.4000111.2A28 N35 Q36 F44A28-N32 WeakPolarHBondContact O-CB 3.37Å; A28-N32 PolarHBondContact O-N 3.21Å; A28-N32 PolarHBondContact O-ND2 3.33Å; N32-N35 PolarHBondContact O-N 3Å; N32-Q36 VanDerWaalsContact O-CB 3.31Å; N32-Q36 WeakPolarHBondContact O-CB 3.38Å; N32-Q36 PolarHBondContact O-N 3.32Å; N32-F44 WeakPolarHBondContact OD1-CZ 3.39Å
33W97.8Very high96.2Very high7 Ų756.4 Ų56.43%0.02731%0.307CS..Hα-helixtrans-61.2-45.9177.2179.773.1000112.3E29 I31 Q36 L37 L62 V66 L138 P150 C152E29-W33 VanDerWaalsContact O-CB 3.31Å; E29-W33 WeakPolarHBondContact O-CB 3.12Å; E29-W33 PolarHBondContact O-N 3.5Å; E29-W33 VanDerWaalsContact O-N 3.08Å; I31-W33 VanDerWaalsContact C-N 3.32Å; I31-W33 PolarHBondContact O-N 3.12Å; W33-Q36 PolarHBondContact O-N 3.28Å; W33-L37 HydrophobicContact CD2-CD1 3.96Å; W33-L37 HydrophobicContact CH2-CD1 3.98Å; W33-L37 HydrophobicContact CZ2-CD1 3.33Å; W33-L37 PolarHBondContact O-N 2.82Å; W33-L62 HydrophobicContact CE3-CD1 4.32Å; W33-L62 HydrophobicContact CH2-CD1 4.07Å; W33-L62 HydrophobicContact CZ3-CD1 3.89Å; W33-L62 HydrophobicContact CZ3-CD2 3.97Å; W33-L62 HydrophobicContact CZ3-CG 4.38Å; W33-V66 HydrophobicContact CH2-CG2 4.01Å; W33-V66 HydrophobicContact CZ2-CG2 4.2Å; W33-L138 HydrophobicContact CH2-CD2 4.18Å; W33-L138 HydrophobicContact CH2-CG 4.15Å; W33-L138 HydrophobicContact CZ3-CD2 4.43Å; W33-P150 PolarHBondContact NE1-O 3.42Å; W33-C152 HydrophobicContact CB-CB 3.73Å; W33-C152 HydrophobicContact CD2-CB 3.54Å; W33-C152 HydrophobicContact CE3-CB 4.26Å; W33-C152 HydrophobicContact CG-CB 3.26Å
34L97.9Very high96.3Very high0 Ų058.1 Ų58.10%031%0.311CS..Hα-helixtrans-62.1-46.6177.5176.9154.5000111.7A30 I31 Q36 L37 T38 V42 L53 I58 L62 L135A30-L34 VanDerWaalsContact O-CB 3.25Å; A30-L34 WeakPolarHBondContact O-CB 3.45Å; A30-L34 PolarHBondContact O-N 3.38Å; I31-L34 PolarHBondContact O-N 3.15Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 2.87Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-T38 WeakPolarHBondContact O-CB 3.34Å; L34-T38 WeakPolarHBondContact O-CG2 3.39Å; L34-T38 PolarHBondContact O-N 3.23Å; L34-T38 PolarHBondContact O-OG1 2.85Å; L34-V42 HydrophobicContact CD2-CB 4.5Å; L34-V42 HydrophobicContact CD2-CG2 3.71Å; L34-L53 HydrophobicContact CD1-CD1 4.29Å; L34-L53 HydrophobicContact CD1-CD2 3.82Å; L34-L53 HydrophobicContact CD2-CD2 4.48Å; L34-I58 HydrophobicContact CD1-CG2 4.27Å; L34-I58 HydrophobicContact CD2-CG2 3.58Å; L34-I58 HydrophobicContact CG-CG2 4.16Å; L34-L62 HydrophobicContact CD1-CD2 4.05Å; L34-L62 HydrophobicContact CG-CD2 4.33Å; L34-L135 HydrophobicContact CD1-CD1 4.07Å; L34-L135 HydrophobicContact CD1-CD2 4.34Å
35N97.7Very high96.3Very high23 Ų2355.9 Ų55.912%0.12330%0.296CS..Hα-helixtrans-62.4-41.3177.2-75.4-19.2000111.3I31 N32 N39 E40 V42I31-N35 VanDerWaalsContact O-CB 3.3Å; I31-N35 WeakPolarHBondContact O-CB 2.97Å; I31-N35 VanDerWaalsContact O-CG 3.27Å; I31-N35 PolarHBondContact O-N 3.47Å; I31-N35 PolarHBondContact O-ND2 3.23Å; N32-N35 PolarHBondContact O-N 3Å; N35-N39 WeakPolarHBondContact O-CA 3.38Å; N35-N39 PolarHBondContact O-N 3.41Å; N35-E40 VanDerWaalsContact CB-O 3.28Å; N35-E40 WeakPolarHBondContact CB-O 3.5Å; N35-E40 VanDerWaalsContact CG-O 3.25Å; N35-E40 PolarHBondContact OD1-O 3.04Å; N35-E40 VanDerWaalsContact OD1-O 3.1Å; N35-V42 PolarHBondContact ND2-N 3.06Å; N35-V42 PolarHBondContact ND2-O 3.21Å; N35-V42 VanDerWaalsContact ND2-O 3.15Å; N35-V42 WeakPolarHBondContact OD1-CB 3.36Å; N35-V42 WeakPolarHBondContact OD1-CG2 3.39Å; N35-V42 PolarHBondContact OD1-N 3.03Å
36Q96.6Very high96.2Very high134 Ų13451.6 Ų51.663%0.62627%0.273SS*.Hα-helixtrans-63.8-42.3178.1-173178.54.700112.5N32 W33 L34 P150N32-Q36 VanDerWaalsContact O-CB 3.31Å; N32-Q36 WeakPolarHBondContact O-CB 3.38Å; N32-Q36 PolarHBondContact O-N 3.32Å; W33-Q36 PolarHBondContact O-N 3.28Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 2.87Å; Q36-P150 HydrophobicContact CG-CG 4.17Å; Q36-P150 VanDerWaalsContact OE1-CB 3.31Å
37L96.3Very high96.1Very high23 Ų2355.7 Ų55.712%0.1229%0.288CS..Hα-helixtrans-76.3-39.2-179.6-74.1-174.4000113.1W33 L34 L62 V65 V66 F147 P150W33-L37 HydrophobicContact CD2-CD1 3.96Å; W33-L37 HydrophobicContact CH2-CD1 3.98Å; W33-L37 HydrophobicContact CZ2-CD1 3.33Å; W33-L37 PolarHBondContact O-N 2.82Å; L34-L37 PolarHBondContact O-N 3.49Å; L37-L62 HydrophobicContact CB-CD1 3.96Å; L37-L62 HydrophobicContact CD1-CD1 3.68Å; L37-L62 HydrophobicContact CG-CD1 4.46Å; L37-V65 HydrophobicContact CB-CG1 4.13Å; L37-V65 HydrophobicContact CD2-CG1 4.03Å; L37-V66 HydrophobicContact CD1-CG2 4.18Å; L37-F147 HydrophobicContact CD1-CE1 4.04Å; L37-F147 HydrophobicContact CD1-CZ 4.03Å; L37-F147 HydrophobicContact CD2-CE1 3.94Å; L37-F147 HydrophobicContact CD2-CZ 3.7Å; L37-P150 HydrophobicContact CD2-CG 3.73Å; L37-P150 HydrophobicContact CG-CG 4.07Å
38T95.8Very high96.1Very high2 Ų258.9 Ų58.91%0.01231%0.306CS..Hα-helixtrans-89.9-13.4-175.661.90000112.8L34 E40 I58 K61 L62L34-T38 WeakPolarHBondContact O-CB 3.34Å; L34-T38 WeakPolarHBondContact O-CG2 3.39Å; L34-T38 PolarHBondContact O-N 3.23Å; L34-T38 PolarHBondContact O-OG1 2.85Å; T38-E40 PolarHBondContact O-N 3.34Å; T38-E40 WeakPolarHBondContact OG1-CB 3.49Å; T38-E40 WeakPolarHBondContact OG1-CG 3.43Å; T38-E40 PolarHBondContact OG1-N 3.23Å; T38-I58 HydrophobicContact CG2-CG2 4.28Å; T38-K61 HydrophobicContact CG2-CB 4.23Å; T38-K61 HydrophobicContact CG2-CD 4.5Å; T38-K61 HydrophobicContact CG2-CG 4.23Å; T38-K61 WeakPolarHBondContact O-CE 3.36Å; T38-K61 PolarHBondContact O-NZ 3.47Å; T38-L62 HydrophobicContact CG2-CB 3.7Å; T38-L62 HydrophobicContact CG2-CD1 4.22Å
39N95.4Very high96.1Very high148 Ų14857.2 Ų57.279%0.79129%0.292SS*.THydrogen-bonded Turntrans5236.5-168.7-162.934.9000111.9N35N35-N39 WeakPolarHBondContact O-CA 3.38Å; N35-N39 PolarHBondContact O-N 3.41Å
40E94.5Very high96Very high75 Ų7553 Ų5335%0.3527%0.272SS..  trans-100.3165.2170.8-62.8-66.316200109.2N35 T38 I58 K61N35-E40 VanDerWaalsContact CB-O 3.28Å; N35-E40 WeakPolarHBondContact CB-O 3.5Å; N35-E40 VanDerWaalsContact CG-O 3.25Å; N35-E40 PolarHBondContact OD1-O 3.04Å; N35-E40 VanDerWaalsContact OD1-O 3.1Å; T38-E40 PolarHBondContact O-N 3.34Å; T38-E40 WeakPolarHBondContact OG1-CB 3.49Å; T38-E40 WeakPolarHBondContact OG1-CG 3.43Å; T38-E40 PolarHBondContact OG1-N 3.23Å; E40-I58 HydrophobicContact CB-CD1 4.44Å; E40-I58 HydrophobicContact CG-CD1 4.33Å; E40-I58 HydrophobicContact CG-CG1 4.17Å; E40-I58 HydrophobicContact CG-CG2 4.18Å; E40-K61 HydrophobicContact CG-CD 4.35Å; E40-K61 IonicContact OE1-NZ 2.69Å; E40-K61 PolarHBondContact OE1-NZ 3.37Å
41N95.2Very high95.9Very high146 Ų14656.3 Ų56.378%0.78130%0.3SS*.  trans-120.672.9176.1-173.218.4000110.1P43N41-P43 WeakPolarHBondContact O-CD 3.36Å
42V95.8Very high95.9Very high3 Ų357.6 Ų57.62%0.01831%0.31CS..PPolyproline II helixtrans-71.2119.1173.2177.70000108.6I31 L34 N35 V49 A52 L53 I58I31-V42 HydrophobicContact CD1-CG1 4.37Å; I31-V42 HydrophobicContact CG2-CB 3.94Å; I31-V42 HydrophobicContact CG2-CG1 3.97Å; L34-V42 HydrophobicContact CD2-CB 4.5Å; L34-V42 HydrophobicContact CD2-CG2 3.71Å; N35-V42 PolarHBondContact ND2-N 3.06Å; N35-V42 PolarHBondContact ND2-O 3.21Å; N35-V42 VanDerWaalsContact ND2-O 3.15Å; N35-V42 WeakPolarHBondContact OD1-CB 3.36Å; N35-V42 WeakPolarHBondContact OD1-CG2 3.39Å; N35-V42 PolarHBondContact OD1-N 3.03Å; V42-V49 HydrophobicContact CG1-CB 4.49Å; V42-V49 HydrophobicContact CG1-CG2 4.15Å; V42-A52 HydrophobicContact CB-CB 4.41Å; V42-A52 HydrophobicContact CG1-CB 3.83Å; V42-A52 HydrophobicContact CG2-CB 4.05Å; V42-L53 HydrophobicContact CG2-CD2 4.42Å; V42-I58 HydrophobicContact CG2-CD1 3.81Å
43P95.7Very high95.9Very high64 Ų6453.4 Ų53.442%0.41629%0.288SS..PPolyproline II helixtrans-72.1142.7177.89.6-0.2000110.9N41 N48N41-P43 WeakPolarHBondContact O-CD 3.36Å; P43-N48 HydrophobicContact CB-CB 3.98Å; P43-N48 HydrophobicContact CG-CB 3.96Å; P43-N48 VanDerWaalsContact O-CB 3.29Å; P43-N48 WeakPolarHBondContact O-CB 3.39Å
44F95.3Very high95.8Very high102 Ų10256.5 Ų56.545%0.44730%0.302SS..SBendtrans-65.1158.5172.6-61.6-72.9000112.1E27 A28 I31 N32 N48E27-F44 HydrophobicContact CG-CD1 4.47Å; E27-F44 WeakPolarHBondContact OE1-CA 3.43Å; E27-F44 WeakPolarHBondContact OE1-CB 3.2Å; A28-F44 HydrophobicContact CB-CE1 4.48Å; I31-F44 HydrophobicContact CB-CD1 4.34Å; I31-F44 HydrophobicContact CB-CE1 3.94Å; I31-F44 HydrophobicContact CG2-CD1 4.27Å; I31-F44 HydrophobicContact CG2-CE1 3.95Å; N32-F44 WeakPolarHBondContact OD1-CZ 3.39Å; F44-N48 PolarHBondContact O-ND2 3.14Å
45G94.2Very high95.7Very high28 Ų2858.6 Ų58.629%0.28931%0.313SS..SBendtrans105.9131.1-17300000111E27 E47 N48 V49E27-G45 PolarHBondContact OE1-N 2.88Å; G45-E47 VanDerWaalsContact C-N 3.28Å; G45-E47 PolarHBondContact O-N 3.46Å; G45-E47 VanDerWaalsContact O-N 3.1Å; G45-N48 WeakPolarHBondContact O-CA 3.41Å; G45-N48 WeakPolarHBondContact O-CB 3.25Å; G45-N48 PolarHBondContact O-N 3.2Å; G45-V49 WeakPolarHBondContact O-CG2 3.31Å; G45-V49 PolarHBondContact O-N 3.13Å
46R92.8Very high95.6Very high75 Ų7557.5 Ų57.528%0.28331%0.307SS..Hα-helixtrans-42.4-49.6179.9-178.5-179.9165.4-148.2-9114.5N19 Y22 A50 L125 M128N19-R46 VanDerWaalsContact CG-CZ 3.47Å; N19-R46 PolarHBondContact ND2-NH2 3.19Å; N19-R46 PolarHBondContact OD1-NE 3.12Å; N19-R46 PolarHBondContact OD1-NH2 3.41Å; Y22-R46 HydrophobicContact CD1-CB 4.16Å; Y22-R46 HydrophobicContact CD2-CG 4.22Å; Y22-R46 HydrophobicContact CE1-CB 3.7Å; Y22-R46 HydrophobicContact CE1-CG 4.34Å; Y22-R46 HydrophobicContact CE2-CB 4.21Å; Y22-R46 HydrophobicContact CE2-CG 4.04Å; Y22-R46 HydrophobicContact CG-CG 4.47Å; Y22-R46 WeakPolarHBondContact OH-CA 3.47Å; R46-A50 VanDerWaalsContact O-CB 3.25Å; R46-A50 WeakPolarHBondContact O-CB 3.42Å; R46-A50 PolarHBondContact O-N 2.7Å; R46-L125 PolarHBondContact NH2-O 3.21Å; R46-M128 HydrophobicContact CG-CB 4.06Å; R46-M128 HydrophobicContact CG-CG 3.97Å
47E94.1Very high95.6Very high115 Ų11554.1 Ų54.154%0.53729%0.291SS..Hα-helixtrans-68.7-38-178.7-64.7-62.2157.100112.2G45 A50 A51 L125G45-E47 VanDerWaalsContact C-N 3.28Å; G45-E47 PolarHBondContact O-N 3.46Å; G45-E47 VanDerWaalsContact O-N 3.1Å; E47-A50 PolarHBondContact O-N 3.13Å; E47-A51 VanDerWaalsContact O-CB 3.27Å; E47-A51 WeakPolarHBondContact O-CB 3.47Å; E47-A51 PolarHBondContact O-N 3.05Å; E47-L125 WeakPolarHBondContact OE1-CD2 3.15Å; E47-L125 WeakPolarHBondContact OE2-CD2 3.31Å
48N96.2Very high95.7Very high81 Ų8154 Ų5443%0.43329%0.29SS..Hα-helixtrans-68.2-47.1178.8-69.7-28.6000111.3P43 F44 G45 A50 A51 A52P43-N48 HydrophobicContact CB-CB 3.98Å; P43-N48 HydrophobicContact CG-CB 3.96Å; P43-N48 VanDerWaalsContact O-CB 3.29Å; P43-N48 WeakPolarHBondContact O-CB 3.39Å; F44-N48 PolarHBondContact O-ND2 3.14Å; G45-N48 WeakPolarHBondContact O-CA 3.41Å; G45-N48 WeakPolarHBondContact O-CB 3.25Å; G45-N48 PolarHBondContact O-N 3.2Å; N48-A50 VanDerWaalsContact C-N 3.33Å; N48-A50 PolarHBondContact O-N 2.88Å; N48-A51 PolarHBondContact O-N 3.48Å; N48-A52 WeakPolarHBondContact O-CB 3.43Å; N48-A52 PolarHBondContact O-N 3.06Å
49V96.3Very high95.8Very high0 Ų053.9 Ų53.90%029%0.289CS..Hα-helixtrans-58.3-48.2174.9173.10000110.2E27 I31 V42 G45 A51 A52 L53 M128E27-V49 HydrophobicContact CG-CG2 4.24Å; I31-V49 HydrophobicContact CD1-CB 4.43Å; I31-V49 HydrophobicContact CD1-CG1 3.61Å; I31-V49 HydrophobicContact CD1-CG2 3.94Å; I31-V49 HydrophobicContact CG1-CG1 4.34Å; I31-V49 HydrophobicContact CG1-CG2 3.85Å; V42-V49 HydrophobicContact CG1-CB 4.49Å; V42-V49 HydrophobicContact CG1-CG2 4.15Å; G45-V49 WeakPolarHBondContact O-CG2 3.31Å; G45-V49 PolarHBondContact O-N 3.13Å; V49-A51 PolarHBondContact O-N 3.21Å; V49-A52 PolarHBondContact O-N 3.5Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.43Å; V49-L53 WeakPolarHBondContact O-CB 3.37Å; V49-L53 WeakPolarHBondContact O-CG 3.3Å; V49-L53 PolarHBondContact O-N 3.16Å; V49-M128 HydrophobicContact CB-CE 4.33Å; V49-M128 HydrophobicContact CG1-CE 3.71Å
50A95.7Very high95.9Very high0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-62.6-45.2-179.900000111.5R46 E47 N48 A52 L53 K54 L125 M128R46-A50 VanDerWaalsContact O-CB 3.25Å; R46-A50 WeakPolarHBondContact O-CB 3.42Å; R46-A50 PolarHBondContact O-N 2.7Å; E47-A50 PolarHBondContact O-N 3.13Å; N48-A50 VanDerWaalsContact C-N 3.33Å; N48-A50 PolarHBondContact O-N 2.88Å; A50-A52 PolarHBondContact O-N 3.06Å; A50-L53 PolarHBondContact O-N 3.14Å; A50-K54 WeakPolarHBondContact O-CA 3.39Å; A50-K54 VanDerWaalsContact O-CB 3.23Å; A50-K54 WeakPolarHBondContact O-CB 3.44Å; A50-K54 PolarHBondContact O-N 3.09Å; A50-L125 HydrophobicContact CB-CD1 3.35Å; A50-L125 HydrophobicContact CB-CD2 4.03Å; A50-L125 HydrophobicContact CB-CG 3.62Å; A50-M128 HydrophobicContact CB-CE 4.11Å; A50-M128 HydrophobicContact CB-CG 4.24Å; A50-M128 HydrophobicContact CB-SD 3.65Å
51A96.2Very high96.1Very high70 Ų7047.1 Ų47.158%0.57925%0.252SS*.Hα-helixtrans-61.6-42.4177.300000112.8E47 N48 V49E47-A51 VanDerWaalsContact O-CB 3.27Å; E47-A51 WeakPolarHBondContact O-CB 3.47Å; E47-A51 PolarHBondContact O-N 3.05Å; N48-A51 PolarHBondContact O-N 3.48Å; V49-A51 PolarHBondContact O-N 3.21Å
52A96.8Very high96.2Very high26 Ų2640.2 Ų40.222%0.21522%0.215CC..Hα-helixtrans-68.1-40.5-179.700000112.6V42 N48 V49 A50 I58V42-A52 HydrophobicContact CB-CB 4.41Å; V42-A52 HydrophobicContact CG1-CB 3.83Å; V42-A52 HydrophobicContact CG2-CB 4.05Å; N48-A52 WeakPolarHBondContact O-CB 3.43Å; N48-A52 PolarHBondContact O-N 3.06Å; V49-A52 PolarHBondContact O-N 3.5Å; A50-A52 PolarHBondContact O-N 3.06Å; A52-I58 HydrophobicContact CB-CD1 4.38Å
53L97.2Very high96.3Very high0 Ų040 Ų400%021%0.214CC..Hα-helixtrans-86.2-13.5-177.9-59.7-177.9000113.3L34 V42 V49 A50 N55 G56 I58 L59 L122 L135L34-L53 HydrophobicContact CD1-CD1 4.29Å; L34-L53 HydrophobicContact CD1-CD2 3.82Å; L34-L53 HydrophobicContact CD2-CD2 4.48Å; V42-L53 HydrophobicContact CG2-CD2 4.42Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.43Å; V49-L53 WeakPolarHBondContact O-CB 3.37Å; V49-L53 WeakPolarHBondContact O-CG 3.3Å; V49-L53 PolarHBondContact O-N 3.16Å; A50-L53 PolarHBondContact O-N 3.14Å; L53-N55 VanDerWaalsContact C-N 3.27Å; L53-N55 PolarHBondContact O-N 2.98Å; L53-N55 VanDerWaalsContact O-N 3.15Å; L53-G56 PolarHBondContact O-N 2.81Å; L53-I58 HydrophobicContact CD2-CB 3.83Å; L53-I58 HydrophobicContact CD2-CD1 4.32Å; L53-I58 HydrophobicContact CD2-CG2 3.77Å; L53-L59 HydrophobicContact CD1-CD2 4.35Å; L53-L59 HydrophobicContact CD2-CD2 4.21Å; L53-L59 HydrophobicContact CD2-CG 4.47Å; L53-L122 HydrophobicContact CB-CD1 3.96Å; L53-L122 HydrophobicContact CB-CD2 4.09Å; L53-L135 HydrophobicContact CD1-CD1 4.36Å
54K96.4Very high96.4Very high72 Ų7238.1 Ų38.131%0.31320%0.2SC..THydrogen-bonded Turntrans-54.3-35.6-173.7-174.5165.5-178161.90114.8A50 G56 I99 Y123A50-K54 WeakPolarHBondContact O-CA 3.39Å; A50-K54 VanDerWaalsContact O-CB 3.23Å; A50-K54 WeakPolarHBondContact O-CB 3.44Å; A50-K54 PolarHBondContact O-N 3.09Å; K54-G56 PolarHBondContact O-N 3.3Å; K54-I99 WeakPolarHBondContact O-CD1 3.44Å; K54-Y123 WeakPolarHBondContact CE-O 3.41Å; K54-Y123 HydrophobicContact CG-CD2 4.06Å; K54-Y123 HydrophobicContact CG-CE2 4.41Å; K54-Y123 PolarHBondContact NZ-O 2.87Å
55N94.9Very high96.5Very high43 Ų4335.4 Ų35.423%0.2319%0.192CC..THydrogen-bonded Turntrans-78.1-9.7-179.671.911.7000113.4L53 Q57 Q95 N98L53-N55 VanDerWaalsContact C-N 3.27Å; L53-N55 PolarHBondContact O-N 2.98Å; L53-N55 VanDerWaalsContact O-N 3.15Å; N55-Q57 HydrophobicContact CB-CG 4.44Å; N55-Q57 PolarHBondContact O-N 2.8Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.46Å; N55-Q57 PolarHBondContact OD1-N 2.91Å; N55-Q95 HydrophobicContact CB-CG 4.16Å; N55-N98 WeakPolarHBondContact O-CB 3.41Å; N55-N98 PolarHBondContact O-ND2 3.18Å
56G96.8Very high96.6Very high0 Ų034.1 Ų34.10%018%0.178CC..SBendtrans71.2-0.2-178.500000116L53 K54 L59 I60L53-G56 PolarHBondContact O-N 2.81Å; K54-G56 PolarHBondContact O-N 3.3Å; G56-L59 PolarHBondContact O-N 3.06Å; G56-I60 WeakPolarHBondContact O-CG1 3.22Å; G56-I60 PolarHBondContact O-N 3.44Å
57Q96.8Very high96.8Very high64 Ų6430.6 Ų30.630%0.29917%0.165SC..Hα-helixtrans-71.2-43.7-175.5-63.3179.71.300112N55 L59 I60 K61 A86 N87N55-Q57 HydrophobicContact CB-CG 4.44Å; N55-Q57 PolarHBondContact O-N 2.8Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.46Å; N55-Q57 PolarHBondContact OD1-N 2.91Å; Q57-L59 VanDerWaalsContact C-N 3.26Å; Q57-L59 PolarHBondContact O-N 3.13Å; Q57-I60 PolarHBondContact O-N 3.39Å; Q57-K61 PolarHBondContact O-N 2.85Å; Q57-A86 HydrophobicContact CB-CB 4.38Å; Q57-A86 HydrophobicContact CG-CB 4.17Å; Q57-N87 PolarHBondContact NE2-O 3.4Å; Q57-N87 VanDerWaalsContact NE2-O 3.1Å
58I97.8Very high96.8Very high19 Ų1930.6 Ų30.610%0.09717%0.169CC..Hα-helixtrans-62.4-38.1176.2-59.6-179.9000110.3L34 T38 E40 V42 A52 L53 K61 L62L34-I58 HydrophobicContact CD1-CG2 4.27Å; L34-I58 HydrophobicContact CD2-CG2 3.58Å; L34-I58 HydrophobicContact CG-CG2 4.16Å; T38-I58 HydrophobicContact CG2-CG2 4.28Å; E40-I58 HydrophobicContact CB-CD1 4.44Å; E40-I58 HydrophobicContact CG-CD1 4.33Å; E40-I58 HydrophobicContact CG-CG1 4.17Å; E40-I58 HydrophobicContact CG-CG2 4.18Å; V42-I58 HydrophobicContact CG2-CD1 3.81Å; A52-I58 HydrophobicContact CB-CD1 4.38Å; L53-I58 HydrophobicContact CD2-CB 3.83Å; L53-I58 HydrophobicContact CD2-CD1 4.32Å; L53-I58 HydrophobicContact CD2-CG2 3.77Å; I58-K61 WeakPolarHBondContact O-CB 3.49Å; I58-K61 PolarHBondContact O-N 2.84Å; I58-L62 WeakPolarHBondContact O-CB 3.45Å; I58-L62 PolarHBondContact O-N 3.03Å
59L98.2Very high96.7Very high0 Ų027.8 Ų27.80%016%0.16CC..Hα-helixtrans-63.9-41.7175.1-63.6-179.9000112.1L53 G56 Q57 K61 L62 I63 I99 F102 F117 L122 L135L53-L59 HydrophobicContact CD1-CD2 4.35Å; L53-L59 HydrophobicContact CD2-CD2 4.21Å; L53-L59 HydrophobicContact CD2-CG 4.47Å; G56-L59 PolarHBondContact O-N 3.06Å; Q57-L59 VanDerWaalsContact C-N 3.26Å; Q57-L59 PolarHBondContact O-N 3.13Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-L62 WeakPolarHBondContact O-CB 3.47Å; L59-L62 PolarHBondContact O-N 3.19Å; L59-I63 PolarHBondContact O-N 3.24Å; L59-I99 HydrophobicContact CD1-CG1 4.47Å; L59-F102 HydrophobicContact CB-CB 3.88Å; L59-F102 HydrophobicContact CB-CD1 4.25Å; L59-F102 HydrophobicContact CB-CD2 3.75Å; L59-F102 HydrophobicContact CB-CE2 4.36Å; L59-F102 HydrophobicContact CB-CG 3.68Å; L59-F102 HydrophobicContact CD1-CD1 4.06Å; L59-F102 HydrophobicContact CD1-CG 4.29Å; L59-F102 HydrophobicContact CD2-CE1 4.42Å; L59-F102 HydrophobicContact CD2-CE2 4.44Å; L59-F102 HydrophobicContact CD2-CZ 4.35Å; L59-F102 HydrophobicContact CG-CG 4.45Å; L59-F102 VanDerWaalsContact O-CD2 3.26Å; L59-F102 WeakPolarHBondContact O-CD2 3.29Å; L59-F117 HydrophobicContact CD1-CZ 3.99Å; L59-L122 HydrophobicContact CD1-CD2 3.64Å; L59-L135 HydrophobicContact CD2-CD2 4.06Å
60I98Very high96.6Very high3 Ų328.2 Ų28.22%0.01516%0.162CC..Hα-helixtrans-64.5-40.3174.1-72.3175.7000111.3G56 Q57 I63 N64 F84 A86 N98 T101G56-I60 WeakPolarHBondContact O-CG1 3.22Å; G56-I60 PolarHBondContact O-N 3.44Å; Q57-I60 PolarHBondContact O-N 3.39Å; I60-I63 WeakPolarHBondContact O-CG2 3.03Å; I60-N64 WeakPolarHBondContact O-CB 3.2Å; I60-N64 PolarHBondContact O-N 3.01Å; I60-N64 PolarHBondContact O-ND2 3.26Å; I60-F84 HydrophobicContact CG2-CB 3.91Å; I60-F84 VanDerWaalsContact CG2-O 3.31Å; I60-F84 WeakPolarHBondContact CG2-O 3.47Å; I60-A86 HydrophobicContact CB-CB 4.09Å; I60-A86 HydrophobicContact CD1-CB 3.75Å; I60-A86 HydrophobicContact CG2-CB 3.9Å; I60-N98 HydrophobicContact CD1-CB 3.66Å; I60-T101 HydrophobicContact CD1-CG2 4.48Å
61K97.6Very high96.2Very high79 Ų7933.2 Ų33.234%0.34320%0.204SC..Hα-helixtrans-61.5-46.8175.1-167.4176-174.2-168.70110.8T38 E40 Q57 I58 L59 I63 N64 V65T38-K61 HydrophobicContact CG2-CB 4.23Å; T38-K61 HydrophobicContact CG2-CD 4.5Å; T38-K61 HydrophobicContact CG2-CG 4.23Å; T38-K61 WeakPolarHBondContact O-CE 3.36Å; T38-K61 PolarHBondContact O-NZ 3.47Å; E40-K61 HydrophobicContact CG-CD 4.35Å; E40-K61 IonicContact OE1-NZ 2.69Å; E40-K61 PolarHBondContact OE1-NZ 3.37Å; Q57-K61 PolarHBondContact O-N 2.85Å; I58-K61 WeakPolarHBondContact O-CB 3.49Å; I58-K61 PolarHBondContact O-N 2.84Å; L59-K61 VanDerWaalsContact C-N 3.34Å; K61-I63 PolarHBondContact O-N 3.5Å; K61-N64 PolarHBondContact O-N 3.35Å; K61-V65 WeakPolarHBondContact O-CG2 3.35Å; K61-V65 PolarHBondContact O-N 2.84Å
62L98Very high95.9Very high0 Ų034.2 Ų34.20%021%0.206CC..Hα-helixtrans-56.5-52.4177.217664.9000111.4W33 L34 L37 T38 I58 L59 N64 V65 V66 F102 L135 L138W33-L62 HydrophobicContact CE3-CD1 4.32Å; W33-L62 HydrophobicContact CH2-CD1 4.07Å; W33-L62 HydrophobicContact CZ3-CD1 3.89Å; W33-L62 HydrophobicContact CZ3-CD2 3.97Å; W33-L62 HydrophobicContact CZ3-CG 4.38Å; L34-L62 HydrophobicContact CD1-CD2 4.05Å; L34-L62 HydrophobicContact CG-CD2 4.33Å; L37-L62 HydrophobicContact CB-CD1 3.96Å; L37-L62 HydrophobicContact CD1-CD1 3.68Å; L37-L62 HydrophobicContact CG-CD1 4.46Å; T38-L62 HydrophobicContact CG2-CB 3.7Å; T38-L62 HydrophobicContact CG2-CD1 4.22Å; I58-L62 WeakPolarHBondContact O-CB 3.45Å; I58-L62 PolarHBondContact O-N 3.03Å; L59-L62 WeakPolarHBondContact O-CB 3.47Å; L59-L62 PolarHBondContact O-N 3.19Å; L62-N64 VanDerWaalsContact C-N 3.32Å; L62-N64 PolarHBondContact O-N 3.36Å; L62-V65 PolarHBondContact O-N 3.11Å; L62-V66 HydrophobicContact CD1-CG2 4.34Å; L62-V66 WeakPolarHBondContact O-CG2 3.24Å; L62-V66 PolarHBondContact O-N 3.17Å; L62-F102 HydrophobicContact CD2-CE2 4.38Å; L62-L135 HydrophobicContact CD2-CD2 3.62Å; L62-L138 HydrophobicContact CD2-CD2 4.28Å
63I97.5Very high95.7Very high0 Ų034.9 Ų34.90%021%0.206CC..Hα-helixtrans-68.3-32.8-176.8-159.661.3000112L59 I60 K61 V66 F67 F84 F102 A105 L138L59-I63 PolarHBondContact O-N 3.24Å; I60-I63 WeakPolarHBondContact O-CG2 3.03Å; K61-I63 PolarHBondContact O-N 3.5Å; I63-V66 HydrophobicContact CD1-CB 4.45Å; I63-V66 HydrophobicContact CD1-CG1 4.4Å; I63-V66 PolarHBondContact O-N 3Å; I63-F67 HydrophobicContact CD1-CD2 3.79Å; I63-F67 HydrophobicContact CD1-CE2 3.57Å; I63-F67 HydrophobicContact CG1-CD2 3.69Å; I63-F67 HydrophobicContact CG1-CE2 3.56Å; I63-F67 WeakPolarHBondContact O-CB 3.39Å; I63-F67 WeakPolarHBondContact O-CD2 3.45Å; I63-F67 PolarHBondContact O-N 3.39Å; I63-F84 HydrophobicContact CG2-CD2 3.87Å; I63-F84 HydrophobicContact CG2-CE2 4.31Å; I63-F102 HydrophobicContact CB-CD2 3.85Å; I63-F102 HydrophobicContact CB-CE2 4.18Å; I63-F102 HydrophobicContact CD1-CE2 4.46Å; I63-F102 HydrophobicContact CG1-CD2 4.43Å; I63-F102 HydrophobicContact CG2-CD2 4.21Å; I63-A105 HydrophobicContact CG1-CB 3.65Å; I63-A105 HydrophobicContact CG2-CB 4.32Å; I63-L138 HydrophobicContact CD1-CD1 3.9Å; I63-L138 HydrophobicContact CD1-CD2 3.96Å
64N97.5Very high95.5Very high23 Ų2336.5 Ų36.512%0.12322%0.216CC..Hα-helixtrans-60.8-48171.2-80.4-43.2000111.4I60 K61 L62 V66 F67 D68 F84I60-N64 WeakPolarHBondContact O-CB 3.2Å; I60-N64 PolarHBondContact O-N 3.01Å; I60-N64 PolarHBondContact O-ND2 3.26Å; K61-N64 PolarHBondContact O-N 3.35Å; L62-N64 VanDerWaalsContact C-N 3.32Å; L62-N64 PolarHBondContact O-N 3.36Å; N64-V66 PolarHBondContact O-N 3.27Å; N64-F67 PolarHBondContact O-N 3.42Å; N64-D68 WeakPolarHBondContact O-CB 3.41Å; N64-D68 VanDerWaalsContact O-CG 3.3Å; N64-D68 PolarHBondContact O-N 3.34Å; N64-F84 PolarHBondContact ND2-O 2.67Å; N64-F84 VanDerWaalsContact OD1-CD2 3.26Å; N64-F84 WeakPolarHBondContact OD1-CD2 3.45Å; N64-F84 PolarHBondContact OD1-N 2.88Å
65V96.9Very high95.3Very high46 Ų4637.6 Ų37.628%0.27923%0.233SC..Hα-helixtrans-61.4-44.7178.2172.60000111.3L37 K61 L62 F67 D68 G69L37-V65 HydrophobicContact CB-CG1 4.13Å; L37-V65 HydrophobicContact CD2-CG1 4.03Å; K61-V65 WeakPolarHBondContact O-CG2 3.35Å; K61-V65 PolarHBondContact O-N 2.84Å; L62-V65 PolarHBondContact O-N 3.11Å; V65-F67 VanDerWaalsContact C-N 3.3Å; V65-F67 PolarHBondContact O-N 3.36Å; V65-D68 PolarHBondContact O-N 3.14Å; V65-G69 PolarHBondContact O-N 2.89Å
66V96.9Very high95.3Very high0 Ų037.9 Ų37.90%024%0.242CC..Hα-helixtrans-56.9-46.6174.8165.20000110.9W33 L37 L62 I63 N64 G69 T70 Y109 C142 F147W33-V66 HydrophobicContact CH2-CG2 4.01Å; W33-V66 HydrophobicContact CZ2-CG2 4.2Å; L37-V66 HydrophobicContact CD1-CG2 4.18Å; L62-V66 HydrophobicContact CD1-CG2 4.34Å; L62-V66 WeakPolarHBondContact O-CG2 3.24Å; L62-V66 PolarHBondContact O-N 3.17Å; I63-V66 HydrophobicContact CD1-CB 4.45Å; I63-V66 HydrophobicContact CD1-CG1 4.4Å; I63-V66 PolarHBondContact O-N 3Å; N64-V66 PolarHBondContact O-N 3.27Å; V66-G69 PolarHBondContact O-N 3.26Å; V66-T70 PolarHBondContact O-N 3.48Å; V66-T70 PolarHBondContact O-OG1 3.11Å; V66-Y109 HydrophobicContact CG1-CD1 4.3Å; V66-Y109 HydrophobicContact CG1-CD2 4.21Å; V66-Y109 HydrophobicContact CG1-CE1 3.77Å; V66-Y109 HydrophobicContact CG1-CE2 3.68Å; V66-Y109 HydrophobicContact CG1-CG 4.49Å; V66-Y109 VanDerWaalsContact CG1-CZ 3.43Å; V66-C142 WeakPolarHBondContact CG1-SG 3.25Å; V66-F147 WeakPolarHBondContact O-CD2 3.45Å
67F96.2Very high95.1Very high1 Ų137.9 Ų37.90%0.00424%0.242CC..Hα-helixtrans-68.1-34.7-179.7-94.4-115.1000112.9I63 N64 V65 L73 A77 M80 R82 F84 A105 Y109I63-F67 HydrophobicContact CD1-CD2 3.79Å; I63-F67 HydrophobicContact CD1-CE2 3.57Å; I63-F67 HydrophobicContact CG1-CD2 3.69Å; I63-F67 HydrophobicContact CG1-CE2 3.56Å; I63-F67 WeakPolarHBondContact O-CB 3.39Å; I63-F67 WeakPolarHBondContact O-CD2 3.45Å; I63-F67 PolarHBondContact O-N 3.39Å; N64-F67 PolarHBondContact O-N 3.42Å; V65-F67 VanDerWaalsContact C-N 3.3Å; V65-F67 PolarHBondContact O-N 3.36Å; F67-L73 HydrophobicContact CD1-CD1 4.5Å; F67-L73 HydrophobicContact CD1-CD2 4.06Å; F67-L73 HydrophobicContact CE1-CD2 4.49Å; F67-L73 HydrophobicContact CG-CD2 4.28Å; F67-A77 HydrophobicContact CE1-CB 3.59Å; F67-A77 HydrophobicContact CZ-CB 3.73Å; F67-M80 HydrophobicContact CE1-CE 3.5Å; F67-M80 VanDerWaalsContact CE1-CE 3.5Å; F67-M80 HydrophobicContact CZ-CE 3.37Å; F67-R82 VanDerWaalsContact CB-CZ 3.45Å; F67-R82 PolarHBondContact O-NH1 3.08Å; F67-R82 PolarHBondContact O-NH2 3.24Å; F67-F84 HydrophobicContact CD1-CE2 4.02Å; F67-F84 HydrophobicContact CD1-CZ 4.43Å; F67-F84 HydrophobicContact CD2-CE2 4.4Å; F67-F84 HydrophobicContact CE1-CE2 4.06Å; F67-F84 HydrophobicContact CE1-CZ 4.07Å; F67-F84 HydrophobicContact CE2-CE2 4.41Å; F67-F84 HydrophobicContact CG-CE2 4.19Å; F67-F84 HydrophobicContact CZ-CE2 4.26Å; F67-F84 HydrophobicContact CZ-CZ 4.27Å; F67-A105 HydrophobicContact CE2-CB 4.4Å; F67-A105 HydrophobicContact CZ-CB 4.36Å; F67-Y109 AromaticContact CD2-CD2 3.8Å; F67-Y109 HydrophobicContact CD2-CD2 3.8Å; F67-Y109 HydrophobicContact CD2-CE2 4.32Å; F67-Y109 AromaticContact CE2-CD2 3.48Å; F67-Y109 HydrophobicContact CE2-CD2 3.48Å; F67-Y109 VanDerWaalsContact CE2-CD2 3.48Å; F67-Y109 HydrophobicContact CE2-CE2 4.42Å; F67-Y109 AromaticContact CE2-CG 3.92Å; F67-Y109 HydrophobicContact CE2-CG 3.92Å; F67-Y109 AromaticContact CZ-CD2 3.96Å; F67-Y109 HydrophobicContact CZ-CD2 3.96Å; F67-Y109 HydrophobicContact CZ-CG 4.46Å
68D94.7Very high94.9Very high115 Ų11538 Ų3862%0.61525%0.253SS*.Hα-helixtrans-74.5-35.2177.7-72-29.6000111.5N64 V65 T70 R82N64-D68 WeakPolarHBondContact O-CB 3.41Å; N64-D68 VanDerWaalsContact O-CG 3.3Å; N64-D68 PolarHBondContact O-N 3.34Å; V65-D68 PolarHBondContact O-N 3.14Å; D68-T70 VanDerWaalsContact C-N 3.33Å; D68-T70 PolarHBondContact O-N 2.75Å; D68-R82 VanDerWaalsContact CA-NH2 3.31Å; D68-R82 IonicContact OD1-CZ 2.68Å; D68-R82 IonicContact OD1-NH2 2.84Å; D68-R82 PolarHBondContact OD1-NH2 3.49Å
69G94Very high94.7Very high23 Ų2345.6 Ų45.624%0.23729%0.286CS..SBendtrans-82.6-2.4179.400000115.2V65 V66 N148V65-G69 PolarHBondContact O-N 2.89Å; V66-G69 PolarHBondContact O-N 3.26Å; G69-N148 WeakPolarHBondContact O-CB 3.38Å; G69-N148 PolarHBondContact O-N 3.31Å
70T93.9Very high94.4Very high8 Ų847.9 Ų47.95%0.04930%0.297CS..BIsolated β-bridgetrans-102111.5-179.9-65.90000111.2V66 D68 S72 L73 Y109 N145 F147V66-T70 PolarHBondContact O-N 3.48Å; V66-T70 PolarHBondContact O-OG1 3.11Å; D68-T70 VanDerWaalsContact C-N 3.33Å; D68-T70 PolarHBondContact O-N 2.75Å; T70-S72 PolarHBondContact O-N 2.93Å; T70-L73 HydrophobicContact CG2-CD2 3.92Å; T70-L73 HydrophobicContact CG2-CG 4.43Å; T70-Y109 HydrophobicContact CG2-CE2 4.1Å; T70-Y109 PolarHBondContact OG1-OH 2.97Å; T70-N145 HydrophobicContact CG2-CB 3.92Å; T70-F147 WeakPolarHBondContact OG1-CD2 3.16Å
71A88.6Confident94.1Very high106 Ų10657 Ų5788%0.87634%0.336SS*.SBendtrans-64.8-39.9-174.700000113.5
72S89.6Confident93.7Very high91 Ų9156.8 Ų56.864%0.63633%0.334SS*.SBendtrans-123.594.8178.7179.60000110.1T70T70-S72 PolarHBondContact O-N 2.93Å
73L92.8Very high93.4Very high40 Ų4060.9 Ų60.921%0.20936%0.36CS..  trans-70.5147179-65.8160.1000111.4F67 T70 A77 A78 Y109F67-L73 HydrophobicContact CD1-CD1 4.5Å; F67-L73 HydrophobicContact CD1-CD2 4.06Å; F67-L73 HydrophobicContact CE1-CD2 4.49Å; F67-L73 HydrophobicContact CG-CD2 4.28Å; T70-L73 HydrophobicContact CG2-CD2 3.92Å; T70-L73 HydrophobicContact CG2-CG 4.43Å; L73-A77 HydrophobicContact CB-CB 4.05Å; L73-A77 HydrophobicContact CD2-CB 4.29Å; L73-A78 HydrophobicContact CB-CB 4.38Å; L73-Y109 HydrophobicContact CD2-CD2 4.18Å; L73-Y109 HydrophobicContact CD2-CE2 3.89Å
74P92.6Very high93.3Very high33 Ų3362 Ų6221%0.21437%0.365CS..  trans-54.3152.4166.7-26.334.9000112.3A76 A77 A78 Y109P74-A76 PolarHBondContact O-N 3.32Å; P74-A76 VanDerWaalsContact O-N 3.14Å; P74-A77 HydrophobicContact CB-CB 4.34Å; P74-A77 WeakPolarHBondContact O-CA 3.43Å; P74-A77 WeakPolarHBondContact O-CB 3.24Å; P74-A77 PolarHBondContact O-N 3.46Å; P74-A78 PolarHBondContact O-N 3.12Å; P74-Y109 WeakPolarHBondContact CG-O 3.47Å
75S92.8Very high93.1Very high96 Ų9669.7 Ų69.767%0.67140%0.397SS*.Hα-helixtrans-57-33.9-174.963.10000114.1K79S75-K79 WeakPolarHBondContact O-CG 3.42Å
76A93.9Very high93Very high49 Ų4969.4 Ų69.441%0.40540%0.4SS..Hα-helixtrans-72.9-41.6174.900000111.9P74 K79 A108P74-A76 PolarHBondContact O-N 3.32Å; P74-A76 VanDerWaalsContact O-N 3.14Å; A76-K79 PolarHBondContact O-N 3.16Å; A76-A108 HydrophobicContact CB-CB 3.97Å
77A93.6Very high92.8Very high0 Ų071.1 Ų71.10%041%0.409CS..Hα-helixtrans-62.1-41.6175.600000112.9F67 L73 P74 K79 M80 A108 Y109F67-A77 HydrophobicContact CE1-CB 3.59Å; F67-A77 HydrophobicContact CZ-CB 3.73Å; L73-A77 HydrophobicContact CB-CB 4.05Å; L73-A77 HydrophobicContact CD2-CB 4.29Å; P74-A77 HydrophobicContact CB-CB 4.34Å; P74-A77 WeakPolarHBondContact O-CA 3.43Å; P74-A77 WeakPolarHBondContact O-CB 3.24Å; P74-A77 PolarHBondContact O-N 3.46Å; A77-K79 PolarHBondContact O-N 2.84Å; A77-M80 HydrophobicContact CB-CE 4.45Å; A77-M80 PolarHBondContact O-N 3.36Å; A77-A108 WeakPolarHBondContact CB-O 3.49Å; A77-A108 PolarHBondContact N-O 2.91Å; A77-A108 VanDerWaalsContact N-O 3.1Å; A77-Y109 HydrophobicContact CB-CD2 4.49Å
78A91.9Very high92.7Very high66 Ų6676.5 Ų76.555%0.54544%0.442SS..Hα-helixtrans-63.9-24.2-179.700000113.9L73 P74L73-A78 HydrophobicContact CB-CB 4.38Å; P74-A78 PolarHBondContact O-N 3.12Å
79K93.4Very high92.6Very high178 Ų17876 Ų7677%0.77444%0.438SS*.THydrogen-bonded Turntrans-84.8-10-179.2-69.4174.8-176.2-179.40113.9S75 A76 A77S75-K79 WeakPolarHBondContact O-CG 3.42Å; A76-K79 PolarHBondContact O-N 3.16Å; A77-K79 PolarHBondContact O-N 2.84Å
80M92.8Very high92.5Very high48 Ų4880.8 Ų80.824%0.23646%0.462CS..SBendtrans-80144.5-177.7-74.4-168.4-70.400112.3F67 A77 R82 F84 A105 A108F67-M80 HydrophobicContact CE1-CE 3.5Å; F67-M80 VanDerWaalsContact CE1-CE 3.5Å; F67-M80 HydrophobicContact CZ-CE 3.37Å; A77-M80 HydrophobicContact CB-CE 4.45Å; A77-M80 PolarHBondContact O-N 3.36Å; M80-R82 PolarHBondContact O-N 3.33Å; M80-F84 HydrophobicContact CB-CE1 4.21Å; M80-F84 HydrophobicContact CB-CZ 4.11Å; M80-F84 HydrophobicContact CE-CE1 4.38Å; M80-F84 HydrophobicContact CE-CZ 3.72Å; M80-F84 HydrophobicContact SD-CE1 3.89Å; M80-F84 HydrophobicContact SD-CZ 3.84Å; M80-A105 HydrophobicContact CE-CB 4.14Å; M80-A105 HydrophobicContact SD-CB 4.36Å; M80-A108 HydrophobicContact CE-CB 3.26Å; M80-A108 HydrophobicContact SD-CB 3.87Å
81K90.9Very high92.5Very high194 Ų19481.6 Ų81.684%0.84347%0.469SS*.  trans-72.1119.8175.6-174.9178.5-177.9176.40110.1
82R90Very high92.8Very high76 Ų7679.9 Ų79.929%0.28745%0.45SS..SBendtrans-117.5158.2-178.3-68.8171.860.7164.2-4.7112.2F67 D68 M80 F84F67-R82 VanDerWaalsContact CB-CZ 3.45Å; F67-R82 PolarHBondContact O-NH1 3.08Å; F67-R82 PolarHBondContact O-NH2 3.24Å; D68-R82 VanDerWaalsContact CA-NH2 3.31Å; D68-R82 IonicContact OD1-CZ 2.68Å; D68-R82 IonicContact OD1-NH2 2.84Å; D68-R82 PolarHBondContact OD1-NH2 3.49Å; M80-R82 PolarHBondContact O-N 3.33Å; R82-F84 HydrophobicContact CG-CE2 4.4Å
83P91.4Very high93.1Very high85 Ų8581.6 Ų81.655%0.55245%0.446SS*.SBendcis-70.1155.8-1130.7-35.2000111.5K85P83-K85 PolarHBondContact O-N 3.21Å
84F94.9Very high93.3Very high23 Ų2381.7 Ų81.710%0.10144%0.444CS..  trans-67.7122.1172.1-58.5-74.7000108.9I60 I63 N64 F67 M80 R82 T101 A105I60-F84 HydrophobicContact CG2-CB 3.91Å; I60-F84 VanDerWaalsContact CG2-O 3.31Å; I60-F84 WeakPolarHBondContact CG2-O 3.47Å; I63-F84 HydrophobicContact CG2-CD2 3.87Å; I63-F84 HydrophobicContact CG2-CE2 4.31Å; N64-F84 PolarHBondContact ND2-O 2.67Å; N64-F84 VanDerWaalsContact OD1-CD2 3.26Å; N64-F84 WeakPolarHBondContact OD1-CD2 3.45Å; N64-F84 PolarHBondContact OD1-N 2.88Å; F67-F84 HydrophobicContact CD1-CE2 4.02Å; F67-F84 HydrophobicContact CD1-CZ 4.43Å; F67-F84 HydrophobicContact CD2-CE2 4.4Å; F67-F84 HydrophobicContact CE1-CE2 4.06Å; F67-F84 HydrophobicContact CE1-CZ 4.07Å; F67-F84 HydrophobicContact CE2-CE2 4.41Å; F67-F84 HydrophobicContact CG-CE2 4.19Å; F67-F84 HydrophobicContact CZ-CE2 4.26Å; F67-F84 HydrophobicContact CZ-CZ 4.27Å; M80-F84 HydrophobicContact CB-CE1 4.21Å; M80-F84 HydrophobicContact CB-CZ 4.11Å; M80-F84 HydrophobicContact CE-CE1 4.38Å; M80-F84 HydrophobicContact CE-CZ 3.72Å; M80-F84 HydrophobicContact SD-CE1 3.89Å; M80-F84 HydrophobicContact SD-CZ 3.84Å; R82-F84 HydrophobicContact CG-CE2 4.4Å; F84-T101 HydrophobicContact CB-CG2 4.29Å; F84-T101 HydrophobicContact CD1-CG2 3.93Å; F84-T101 HydrophobicContact CG-CG2 4.41Å; F84-A105 HydrophobicContact CD2-CB 4.48Å; F84-A105 HydrophobicContact CE1-CB 3.92Å; F84-A105 HydrophobicContact CE2-CB 3.83Å; F84-A105 HydrophobicContact CZ-CB 3.52Å
85K94.5Very high93.5Very high185 Ų18581.8 Ų81.880%0.80444%0.442SS*.  trans-92.6115.3-178-67-174.3179-172.50110.1P83P83-K85 PolarHBondContact O-N 3.21Å
86A93.3Very high93.7Very high41 Ų4179.9 Ų79.934%0.33942%0.423SS..  trans-72135.4174.900000111.3Q57 I60Q57-A86 HydrophobicContact CB-CB 4.38Å; Q57-A86 HydrophobicContact CG-CB 4.17Å; I60-A86 HydrophobicContact CB-CB 4.09Å; I60-A86 HydrophobicContact CD1-CB 3.75Å; I60-A86 HydrophobicContact CG2-CB 3.9Å
87N93.6Very high93.8Very high35 Ų3581.8 Ų81.819%0.18742%0.424CS..  trans-75.5130.8170.2-158-53.8000110.1Q57 M89 K94 N98Q57-N87 PolarHBondContact NE2-O 3.4Å; Q57-N87 VanDerWaalsContact NE2-O 3.1Å; N87-M89 VanDerWaalsContact OD1-CB 3.24Å; N87-M89 WeakPolarHBondContact OD1-CB 3.32Å; N87-M89 VanDerWaalsContact OD1-CG 3.24Å; N87-M89 WeakPolarHBondContact OD1-CG 3.32Å; N87-M89 PolarHBondContact OD1-N 3.49Å; N87-K94 HydrophobicContact CB-CB 4.31Å; N87-K94 VanDerWaalsContact ND2-CD 3.32Å; N87-K94 WeakPolarHBondContact ND2-CD 3.4Å; N87-K94 VanDerWaalsContact ND2-CE 3.32Å; N87-K94 WeakPolarHBondContact ND2-CE 3.48Å; N87-N98 VanDerWaalsContact CB-OD1 3.27Å; N87-N98 WeakPolarHBondContact CB-OD1 3.24Å; N87-N98 PolarHBondContact N-OD1 3.37Å; N87-N98 PolarHBondContact O-ND2 3.12Å
88T93.2Very high94Very high114 Ų11482 Ų8270%0.69943%0.425SS*.  trans-92-9.2-179.355.30000113.5
89M93Very high94.3Very high106 Ų10678.8 Ų78.852%0.52240%0.399SS..  trans-70.3141.1-179.8-60.2179.176.600111.3N87 A91 K94N87-M89 VanDerWaalsContact OD1-CB 3.24Å; N87-M89 WeakPolarHBondContact OD1-CB 3.32Å; N87-M89 VanDerWaalsContact OD1-CG 3.24Å; N87-M89 WeakPolarHBondContact OD1-CG 3.32Å; N87-M89 PolarHBondContact OD1-N 3.49Å; M89-A91 VanDerWaalsContact C-N 3.26Å; M89-A91 PolarHBondContact O-N 2.83Å; M89-K94 HydrophobicContact CB-CB 4.15Å; M89-K94 HydrophobicContact CB-CG 3.98Å; M89-K94 HydrophobicContact SD-CG 4.23Å
90T91.9Very high94.5Very high123 Ų12374.3 Ų74.376%0.75538%0.38SS*.  trans-80.4-3.8-179.1540000114
91A94.7Very high94.8Very high24 Ų2474 Ų7420%0.19838%0.381CS..  trans-63.3136.9-177.500000111.5M89 F93 K94 Q95M89-A91 VanDerWaalsContact C-N 3.26Å; M89-A91 PolarHBondContact O-N 2.83Å; A91-F93 VanDerWaalsContact C-N 3.32Å; A91-F93 HydrophobicContact CB-CD1 3.84Å; A91-F93 HydrophobicContact CB-CE1 3.48Å; A91-F93 VanDerWaalsContact CB-CE1 3.48Å; A91-F93 HydrophobicContact CB-CZ 4.2Å; A91-F93 PolarHBondContact O-N 3.3Å; A91-F93 VanDerWaalsContact O-N 3.16Å; A91-K94 HydrophobicContact CB-CB 4.48Å; A91-K94 HydrophobicContact CB-CG 4.23Å; A91-K94 WeakPolarHBondContact O-CA 3.42Å; A91-K94 WeakPolarHBondContact O-CB 3.44Å; A91-K94 PolarHBondContact O-N 2.99Å; A91-Q95 PolarHBondContact O-N 2.74Å
92P94.9Very high95.1Very high71 Ų7164.7 Ų64.746%0.46134%0.341SS..Hα-helixtrans-46.3-48.8-178-36.539.2000114.9K94 Q95 M96 Y123P92-K94 VanDerWaalsContact C-N 3.26Å; P92-K94 PolarHBondContact O-N 3.22Å; P92-Q95 PolarHBondContact O-N 3.27Å; P92-M96 WeakPolarHBondContact O-CG 3.28Å; P92-M96 PolarHBondContact O-N 3.07Å; P92-Y123 WeakPolarHBondContact CA-OH 3.25Å; P92-Y123 WeakPolarHBondContact CB-OH 3.45Å; P92-Y123 WeakPolarHBondContact CG-OH 3.38Å
93F95.6Very high95.5Very high127 Ų12761.5 Ų61.556%0.55733%0.329SS*.Hα-helixtrans-67.1-26.3-178.270.1-85.6000113A91 E97A91-F93 VanDerWaalsContact C-N 3.32Å; A91-F93 HydrophobicContact CB-CD1 3.84Å; A91-F93 HydrophobicContact CB-CE1 3.48Å; A91-F93 VanDerWaalsContact CB-CE1 3.48Å; A91-F93 HydrophobicContact CB-CZ 4.2Å; A91-F93 PolarHBondContact O-N 3.3Å; A91-F93 VanDerWaalsContact O-N 3.16Å; F93-E97 VanDerWaalsContact O-CB 3.28Å; F93-E97 WeakPolarHBondContact O-CB 3.35Å; F93-E97 PolarHBondContact O-N 3.14Å
94K96.4Very high95.8Very high41 Ų4161.7 Ų61.718%0.17833%0.325CS..Hα-helixtrans-76.3-37.1175.6-66.6-50.3-157.6-178.20112.4N87 M89 A91 P92 E97 N98N87-K94 HydrophobicContact CB-CB 4.31Å; N87-K94 VanDerWaalsContact ND2-CD 3.32Å; N87-K94 WeakPolarHBondContact ND2-CD 3.4Å; N87-K94 VanDerWaalsContact ND2-CE 3.32Å; N87-K94 WeakPolarHBondContact ND2-CE 3.48Å; M89-K94 HydrophobicContact CB-CB 4.15Å; M89-K94 HydrophobicContact CB-CG 3.98Å; M89-K94 HydrophobicContact SD-CG 4.23Å; A91-K94 HydrophobicContact CB-CB 4.48Å; A91-K94 HydrophobicContact CB-CG 4.23Å; A91-K94 WeakPolarHBondContact O-CA 3.42Å; A91-K94 WeakPolarHBondContact O-CB 3.44Å; A91-K94 PolarHBondContact O-N 2.99Å; P92-K94 VanDerWaalsContact C-N 3.26Å; P92-K94 PolarHBondContact O-N 3.22Å; K94-E97 VanDerWaalsContact CD-OE2 3.24Å; K94-E97 WeakPolarHBondContact CD-OE2 3.45Å; K94-E97 IonicContact NZ-OE1 2.58Å; K94-E97 IonicContact NZ-OE2 3.75Å; K94-E97 PolarHBondContact NZ-OE2 2.95Å; K94-E97 PolarHBondContact O-N 2.8Å; K94-N98 PolarHBondContact O-N 3.48Å
95Q96.7Very high95.9Very high35 Ų3560.6 Ų60.616%0.16432%0.321CS..Hα-helixtrans-64.9-44171.3-63.9-175.8-16.500111N55 A91 P92 E97 N98 I99 Y123N55-Q95 HydrophobicContact CB-CG 4.16Å; A91-Q95 PolarHBondContact O-N 2.74Å; P92-Q95 PolarHBondContact O-N 3.27Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-E97 PolarHBondContact O-N 3.19Å; Q95-N98 WeakPolarHBondContact O-CB 3.42Å; Q95-N98 PolarHBondContact O-N 3Å; Q95-I99 WeakPolarHBondContact O-CG1 3.49Å; Q95-I99 PolarHBondContact O-N 3.36Å; Q95-I99 VanDerWaalsContact O-N 3.14Å; Q95-Y123 HydrophobicContact CB-CD2 4.33Å; Q95-Y123 HydrophobicContact CB-CE2 3.99Å
96M96.8Very high96.1Very high56 Ų5651.8 Ų51.828%0.27628%0.282SS..Hα-helixtrans-62.4-38.5174.2-69.8-177.2-179.500112.8P92 N98 I99 Q100 T119 Y123P92-M96 WeakPolarHBondContact O-CG 3.28Å; P92-M96 PolarHBondContact O-N 3.07Å; M96-N98 VanDerWaalsContact C-N 3.35Å; M96-I99 PolarHBondContact O-N 3.08Å; M96-Q100 WeakPolarHBondContact O-CB 3.41Å; M96-Q100 PolarHBondContact O-N 3.43Å; M96-T119 HydrophobicContact CB-CG2 3.71Å; M96-T119 HydrophobicContact CG-CG2 3.73Å; M96-Y123 HydrophobicContact CE-CD1 3.23Å; M96-Y123 HydrophobicContact CE-CD2 4.36Å; M96-Y123 HydrophobicContact CE-CE1 3.37Å; M96-Y123 HydrophobicContact CE-CE2 4.44Å; M96-Y123 HydrophobicContact CE-CG 3.79Å; M96-Y123 HydrophobicContact CG-CD2 4.06Å; M96-Y123 HydrophobicContact CG-CE2 4.37Å; M96-Y123 HydrophobicContact CG-CG 4.13Å
97E97.5Very high96.3Very high90 Ų9051.7 Ų51.742%0.42128%0.278SS..Hα-helixtrans-62.8-40175.1-179.8173.3-125.500111.8F93 K94 Q95 Q100 T101F93-E97 VanDerWaalsContact O-CB 3.28Å; F93-E97 WeakPolarHBondContact O-CB 3.35Å; F93-E97 PolarHBondContact O-N 3.14Å; K94-E97 VanDerWaalsContact CD-OE2 3.24Å; K94-E97 WeakPolarHBondContact CD-OE2 3.45Å; K94-E97 IonicContact NZ-OE1 2.58Å; K94-E97 IonicContact NZ-OE2 3.75Å; K94-E97 PolarHBondContact NZ-OE2 2.95Å; K94-E97 PolarHBondContact O-N 2.8Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-E97 PolarHBondContact O-N 3.19Å; E97-Q100 PolarHBondContact O-N 3.37Å; E97-T101 WeakPolarHBondContact O-CB 3.46Å; E97-T101 PolarHBondContact O-N 3.34Å; E97-T101 PolarHBondContact O-OG1 3.4Å
98N98Very high96.5Very high3 Ų350.8 Ų50.82%0.01628%0.275CS..Hα-helixtrans-62-47.2174.8-72.6-18.6000111.9N55 I60 N87 K94 Q95 M96 Q100 T101 F102N55-N98 WeakPolarHBondContact O-CB 3.41Å; N55-N98 PolarHBondContact O-ND2 3.18Å; I60-N98 HydrophobicContact CD1-CB 3.66Å; N87-N98 VanDerWaalsContact CB-OD1 3.27Å; N87-N98 WeakPolarHBondContact CB-OD1 3.24Å; N87-N98 PolarHBondContact N-OD1 3.37Å; N87-N98 PolarHBondContact O-ND2 3.12Å; K94-N98 PolarHBondContact O-N 3.48Å; Q95-N98 WeakPolarHBondContact O-CB 3.42Å; Q95-N98 PolarHBondContact O-N 3Å; M96-N98 VanDerWaalsContact C-N 3.35Å; N98-Q100 VanDerWaalsContact C-N 3.35Å; N98-Q100 PolarHBondContact O-N 3.46Å; N98-T101 WeakPolarHBondContact O-CB 3.36Å; N98-T101 PolarHBondContact O-N 2.76Å; N98-F102 PolarHBondContact O-N 2.9Å; N98-F102 VanDerWaalsContact O-N 3.08Å
99I98.1Very high96.6Very high0 Ų045.3 Ų45.30%024%0.241CC..Hα-helixtrans-60.2-46176.8-65.7168000110.4K54 L59 Q95 M96 T101 F102 L103 F117 T119 L122K54-I99 WeakPolarHBondContact O-CD1 3.44Å; L59-I99 HydrophobicContact CD1-CG1 4.47Å; Q95-I99 WeakPolarHBondContact O-CG1 3.49Å; Q95-I99 PolarHBondContact O-N 3.36Å; Q95-I99 VanDerWaalsContact O-N 3.14Å; M96-I99 PolarHBondContact O-N 3.08Å; I99-T101 VanDerWaalsContact C-N 3.27Å; I99-T101 PolarHBondContact O-N 2.79Å; I99-F102 WeakPolarHBondContact O-CB 3.26Å; I99-F102 PolarHBondContact O-N 3.18Å; I99-L103 HydrophobicContact CG2-CD1 4.1Å; I99-L103 HydrophobicContact CG2-CG 4.38Å; I99-L103 WeakPolarHBondContact O-CG 3.45Å; I99-L103 PolarHBondContact O-N 3.38Å; I99-F117 HydrophobicContact CG2-CE2 3.51Å; I99-F117 HydrophobicContact CG2-CZ 3.88Å; I99-T119 HydrophobicContact CB-CG2 4.03Å; I99-T119 HydrophobicContact CD1-CG2 4.17Å; I99-T119 HydrophobicContact CG2-CG2 3.95Å; I99-L122 HydrophobicContact CD1-CB 4.48Å; I99-L122 HydrophobicContact CD1-CD2 3.91Å; I99-L122 HydrophobicContact CD1-CG 4.19Å; I99-L122 HydrophobicContact CG1-CD2 4.1Å
100Q97.6Very high96.8Very high83 Ų8341.9 Ų41.939%0.38823%0.233SC..Hα-helixtrans-63.4-35.6179.1-170.262.447.200112M96 E97 N98 L103 N104 T119M96-Q100 WeakPolarHBondContact O-CB 3.41Å; M96-Q100 PolarHBondContact O-N 3.43Å; E97-Q100 PolarHBondContact O-N 3.37Å; N98-Q100 VanDerWaalsContact C-N 3.35Å; N98-Q100 PolarHBondContact O-N 3.46Å; Q100-L103 PolarHBondContact O-N 3.49Å; Q100-N104 PolarHBondContact NE2-OD1 3.39Å; Q100-N104 WeakPolarHBondContact O-CB 3.44Å; Q100-N104 PolarHBondContact O-N 2.88Å; Q100-N104 PolarHBondContact O-ND2 3.21Å; Q100-T119 PolarHBondContact OE1-OG1 3.49Å
101T97.7Very high97Very high41 Ų4136.2 Ų36.225%0.25220%0.199SC..Hα-helixtrans-62.3-45.6175.1-59.10000110.8I60 F84 E97 N98 I99 N104 A105I60-T101 HydrophobicContact CD1-CG2 4.48Å; F84-T101 HydrophobicContact CB-CG2 4.29Å; F84-T101 HydrophobicContact CD1-CG2 3.93Å; F84-T101 HydrophobicContact CG-CG2 4.41Å; E97-T101 WeakPolarHBondContact O-CB 3.46Å; E97-T101 PolarHBondContact O-N 3.34Å; E97-T101 PolarHBondContact O-OG1 3.4Å; N98-T101 WeakPolarHBondContact O-CB 3.36Å; N98-T101 PolarHBondContact O-N 2.76Å; I99-T101 VanDerWaalsContact C-N 3.27Å; I99-T101 PolarHBondContact O-N 2.79Å; T101-N104 PolarHBondContact O-N 3.21Å; T101-A105 WeakPolarHBondContact O-CB 3.38Å; T101-A105 PolarHBondContact O-N 3.33Å
102F98.2Very high97Very high0 Ų037.8 Ų37.80%021%0.207CC..Hα-helixtrans-58.3-49.3173166.7-97.9000112L59 L62 I63 N98 I99 N104 A105 A106 F117 T134 L135 L138L59-F102 HydrophobicContact CB-CB 3.88Å; L59-F102 HydrophobicContact CB-CD1 4.25Å; L59-F102 HydrophobicContact CB-CD2 3.75Å; L59-F102 HydrophobicContact CB-CE2 4.36Å; L59-F102 HydrophobicContact CB-CG 3.68Å; L59-F102 HydrophobicContact CD1-CD1 4.06Å; L59-F102 HydrophobicContact CD1-CG 4.29Å; L59-F102 HydrophobicContact CD2-CE1 4.42Å; L59-F102 HydrophobicContact CD2-CE2 4.44Å; L59-F102 HydrophobicContact CD2-CZ 4.35Å; L59-F102 HydrophobicContact CG-CG 4.45Å; L59-F102 VanDerWaalsContact O-CD2 3.26Å; L59-F102 WeakPolarHBondContact O-CD2 3.29Å; L62-F102 HydrophobicContact CD2-CE2 4.38Å; I63-F102 HydrophobicContact CB-CD2 3.85Å; I63-F102 HydrophobicContact CB-CE2 4.18Å; I63-F102 HydrophobicContact CD1-CE2 4.46Å; I63-F102 HydrophobicContact CG1-CD2 4.43Å; I63-F102 HydrophobicContact CG2-CD2 4.21Å; N98-F102 PolarHBondContact O-N 2.9Å; N98-F102 VanDerWaalsContact O-N 3.08Å; I99-F102 WeakPolarHBondContact O-CB 3.26Å; I99-F102 PolarHBondContact O-N 3.18Å; F102-N104 PolarHBondContact O-N 2.87Å; F102-A105 PolarHBondContact O-N 2.66Å; F102-A105 VanDerWaalsContact O-N 3.15Å; F102-A106 WeakPolarHBondContact O-CB 3.49Å; F102-A106 PolarHBondContact O-N 2.88Å; F102-F117 HydrophobicContact CD1-CE1 4.2Å; F102-F117 HydrophobicContact CD1-CZ 4.22Å; F102-F117 AromaticContact CE1-CE1 3.82Å; F102-F117 HydrophobicContact CE1-CE1 3.82Å; F102-F117 HydrophobicContact CE1-CZ 4.28Å; F102-T134 HydrophobicContact CE1-CG2 4.26Å; F102-L135 HydrophobicContact CZ-CD2 4.11Å; F102-L138 HydrophobicContact CE2-CD2 3.88Å; F102-L138 HydrophobicContact CZ-CD2 4.02Å
103L98.3Very high97Very high8 Ų843.9 Ų43.94%0.04222%0.22CC..Hα-helixtrans-61.1-43.8-178.6-67.6174.4000112.1I99 Q100 A105 A106 V107 L116 F117I99-L103 HydrophobicContact CG2-CD1 4.1Å; I99-L103 HydrophobicContact CG2-CG 4.38Å; I99-L103 WeakPolarHBondContact O-CG 3.45Å; I99-L103 PolarHBondContact O-N 3.38Å; Q100-L103 PolarHBondContact O-N 3.49Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 3.37Å; L103-A106 PolarHBondContact O-N 3.29Å; L103-V107 WeakPolarHBondContact O-CG2 3.23Å; L103-V107 PolarHBondContact O-N 3.29Å; L103-L116 HydrophobicContact CD2-CB 4.36Å; L103-L116 HydrophobicContact CD2-CD2 4.14Å; L103-F117 HydrophobicContact CD1-CE2 4.36Å; L103-F117 VanDerWaalsContact CD1-O 3.3Å; L103-F117 WeakPolarHBondContact CD1-O 3.16Å; L103-F117 HydrophobicContact CD2-CD1 3.89Å; L103-F117 HydrophobicContact CD2-CD2 4.36Å; L103-F117 HydrophobicContact CD2-CE1 3.71Å; L103-F117 HydrophobicContact CD2-CE2 4.17Å; L103-F117 HydrophobicContact CD2-CG 4.21Å; L103-F117 HydrophobicContact CD2-CZ 3.83Å; L103-F117 WeakPolarHBondContact CD2-O 3.42Å; L103-F117 HydrophobicContact CG-CZ 4.35Å
104N97.4Very high97Very high89 Ų8942.2 Ų42.248%0.47623%0.23SC..Hα-helixtrans-61.5-41.3176.1-69.6-16.2000111.4Q100 T101 F102 V107 A108Q100-N104 PolarHBondContact NE2-OD1 3.39Å; Q100-N104 WeakPolarHBondContact O-CB 3.44Å; Q100-N104 PolarHBondContact O-N 2.88Å; Q100-N104 PolarHBondContact O-ND2 3.21Å; T101-N104 PolarHBondContact O-N 3.21Å; F102-N104 PolarHBondContact O-N 2.87Å; N104-V107 PolarHBondContact O-N 2.68Å; N104-A108 PolarHBondContact O-N 2.84Å
105A97.6Very high97Very high0 Ų041 Ų410%023%0.227CC..Hα-helixtrans-68.3-39.7178.500000112.3I63 F67 M80 F84 T101 F102 L103 A108 Y109I63-A105 HydrophobicContact CG1-CB 3.65Å; I63-A105 HydrophobicContact CG2-CB 4.32Å; F67-A105 HydrophobicContact CE2-CB 4.4Å; F67-A105 HydrophobicContact CZ-CB 4.36Å; M80-A105 HydrophobicContact CE-CB 4.14Å; M80-A105 HydrophobicContact SD-CB 4.36Å; F84-A105 HydrophobicContact CD2-CB 4.48Å; F84-A105 HydrophobicContact CE1-CB 3.92Å; F84-A105 HydrophobicContact CE2-CB 3.83Å; F84-A105 HydrophobicContact CZ-CB 3.52Å; T101-A105 WeakPolarHBondContact O-CB 3.38Å; T101-A105 PolarHBondContact O-N 3.33Å; F102-A105 PolarHBondContact O-N 2.66Å; F102-A105 VanDerWaalsContact O-N 3.15Å; L103-A105 VanDerWaalsContact C-N 3.3Å; L103-A105 PolarHBondContact O-N 3.37Å; A105-A108 PolarHBondContact O-N 2.84Å; A105-Y109 WeakPolarHBondContact O-CB 3.38Å; A105-Y109 PolarHBondContact O-N 3.02Å
106A97.9Very high97Very high0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-61.9-42.417500000112.2F102 L103 A108 Y109 G110 V111 L116F102-A106 WeakPolarHBondContact O-CB 3.49Å; F102-A106 PolarHBondContact O-N 2.88Å; L103-A106 PolarHBondContact O-N 3.29Å; A106-A108 PolarHBondContact O-N 3.12Å; A106-Y109 WeakPolarHBondContact O-CB 3.49Å; A106-Y109 PolarHBondContact O-N 3.24Å; A106-G110 PolarHBondContact O-N 2.79Å; A106-V111 HydrophobicContact CB-CB 4.27Å; A106-V111 HydrophobicContact CB-CG2 4.09Å; A106-V111 WeakPolarHBondContact O-CB 3.48Å; A106-V111 WeakPolarHBondContact O-CG2 3.38Å; A106-V111 PolarHBondContact O-N 2.96Å; A106-L116 HydrophobicContact CB-CD2 4.09Å
107V97.7Very high97Very high40 Ų4038.2 Ų38.224%0.24221%0.214CC..Hα-helixtrans-59.7-48.1174.1174.10000111.4L103 N104 Y109 G110 R113 L116L103-V107 WeakPolarHBondContact O-CG2 3.23Å; L103-V107 PolarHBondContact O-N 3.29Å; N104-V107 PolarHBondContact O-N 2.68Å; V107-Y109 PolarHBondContact O-N 2.96Å; V107-G110 PolarHBondContact O-N 3.45Å; V107-R113 HydrophobicContact CG2-CG 4.34Å; V107-L116 HydrophobicContact CG2-CD1 3.17Å; V107-L116 HydrophobicContact CG2-CD2 4.41Å; V107-L116 HydrophobicContact CG2-CG 4.25Å
108A96.8Very high97Very high15 Ų1540.1 Ų40.112%0.12422%0.223CC..Hα-helixtrans-68.1-23.8-178.300000112.6A76 A77 M80 N104 A105 A106 G110A76-A108 HydrophobicContact CB-CB 3.97Å; A77-A108 WeakPolarHBondContact CB-O 3.49Å; A77-A108 PolarHBondContact N-O 2.91Å; A77-A108 VanDerWaalsContact N-O 3.1Å; M80-A108 HydrophobicContact CE-CB 3.26Å; M80-A108 HydrophobicContact SD-CB 3.87Å; N104-A108 PolarHBondContact O-N 2.84Å; A105-A108 PolarHBondContact O-N 2.84Å; A106-A108 PolarHBondContact O-N 3.12Å; A108-G110 VanDerWaalsContact C-N 3.3Å
109Y97Very high96.9Very high0 Ų041 Ų410%023%0.228CC..Hα-helixtrans-76.5-13.3171-164.1-99000113.9V66 F67 T70 L73 P74 A77 A105 A106 V107 L138 E141 C142 N145V66-Y109 HydrophobicContact CG1-CD1 4.3Å; V66-Y109 HydrophobicContact CG1-CD2 4.21Å; V66-Y109 HydrophobicContact CG1-CE1 3.77Å; V66-Y109 HydrophobicContact CG1-CE2 3.68Å; V66-Y109 HydrophobicContact CG1-CG 4.49Å; V66-Y109 VanDerWaalsContact CG1-CZ 3.43Å; F67-Y109 AromaticContact CD2-CD2 3.8Å; F67-Y109 HydrophobicContact CD2-CD2 3.8Å; F67-Y109 HydrophobicContact CD2-CE2 4.32Å; F67-Y109 AromaticContact CE2-CD2 3.48Å; F67-Y109 HydrophobicContact CE2-CD2 3.48Å; F67-Y109 VanDerWaalsContact CE2-CD2 3.48Å; F67-Y109 HydrophobicContact CE2-CE2 4.42Å; F67-Y109 AromaticContact CE2-CG 3.92Å; F67-Y109 HydrophobicContact CE2-CG 3.92Å; F67-Y109 AromaticContact CZ-CD2 3.96Å; F67-Y109 HydrophobicContact CZ-CD2 3.96Å; F67-Y109 HydrophobicContact CZ-CG 4.46Å; T70-Y109 HydrophobicContact CG2-CE2 4.1Å; T70-Y109 PolarHBondContact OG1-OH 2.97Å; L73-Y109 HydrophobicContact CD2-CD2 4.18Å; L73-Y109 HydrophobicContact CD2-CE2 3.89Å; P74-Y109 WeakPolarHBondContact CG-O 3.47Å; A77-Y109 HydrophobicContact CB-CD2 4.49Å; A105-Y109 WeakPolarHBondContact O-CB 3.38Å; A105-Y109 PolarHBondContact O-N 3.02Å; A106-Y109 WeakPolarHBondContact O-CB 3.49Å; A106-Y109 PolarHBondContact O-N 3.24Å; V107-Y109 PolarHBondContact O-N 2.96Å; Y109-L138 HydrophobicContact CD1-CD1 3.76Å; Y109-L138 HydrophobicContact CE1-CD1 4.3Å; Y109-L138 HydrophobicContact CG-CD1 4.42Å; Y109-E141 HydrophobicContact CD1-CB 4.06Å; Y109-E141 HydrophobicContact CE1-CB 4.17Å; Y109-C142 HydrophobicContact CE1-CB 4.47Å; Y109-N145 PolarHBondContact O-ND2 3.1Å; Y109-N145 VanDerWaalsContact O-ND2 3.11Å
110G95.3Very high96.7Very high34 Ų3442.5 Ų42.535%0.35124%0.238SC..THydrogen-bonded Turntrans119.6-4.3174.800000114.8A106 V107 A108 P112A106-G110 PolarHBondContact O-N 2.79Å; V107-G110 PolarHBondContact O-N 3.45Å; A108-G110 VanDerWaalsContact C-N 3.3Å; G110-P112 WeakPolarHBondContact O-CD 3.14Å
111V97Very high96.6Very high4 Ų439.3 Ų39.32%0.02422%0.223CC..  trans-63.7123.9-178.9-178.60000109.4A106 R113 L116 Q137 L138 E141A106-V111 HydrophobicContact CB-CB 4.27Å; A106-V111 HydrophobicContact CB-CG2 4.09Å; A106-V111 WeakPolarHBondContact O-CB 3.48Å; A106-V111 WeakPolarHBondContact O-CG2 3.38Å; A106-V111 PolarHBondContact O-N 2.96Å; V111-R113 PolarHBondContact O-N 3.36Å; V111-L116 HydrophobicContact CB-CD2 4.21Å; V111-L116 HydrophobicContact CG1-CD2 3.72Å; V111-L116 HydrophobicContact CG1-CG 4.42Å; V111-Q137 HydrophobicContact CG1-CB 4.25Å; V111-L138 HydrophobicContact CG2-CB 4.03Å; V111-L138 HydrophobicContact CG2-CD1 3.77Å; V111-E141 HydrophobicContact CG2-CB 4.44Å; V111-E141 HydrophobicContact CG2-CG 3.99Å
112P95.5Very high96.6Very high57 Ų5737.4 Ų37.437%0.3721%0.211SC..  trans-59.3138.5179.4-24.934.1000111.4G110 A114 S115 L116G110-P112 WeakPolarHBondContact O-CD 3.14Å; P112-A114 PolarHBondContact O-N 3.44Å; P112-A114 VanDerWaalsContact O-N 3.12Å; P112-S115 WeakPolarHBondContact O-CA 3.22Å; P112-S115 WeakPolarHBondContact O-CB 3.4Å; P112-S115 PolarHBondContact O-N 3.14Å; P112-L116 PolarHBondContact O-N 3.02Å
113R95.2Very high96.5Very high198 Ų19839 Ų3975%0.74722%0.218SC*.G310 helixtrans-56.8-32179.1-69.8-179.5179.2-92.40.8113.3V107 V111 S115 L116V107-R113 HydrophobicContact CG2-CG 4.34Å; V111-R113 PolarHBondContact O-N 3.36Å; R113-S115 PolarHBondContact O-N 3.35Å; R113-L116 PolarHBondContact O-N 2.93Å
114A94.5Very high96.3Very high93 Ų9342.4 Ų42.477%0.76923%0.233SC*.G310 helixtrans-66.8-23.9176.500000113.3P112 Q130P112-A114 PolarHBondContact O-N 3.44Å; P112-A114 VanDerWaalsContact O-N 3.12Å; A114-Q130 PolarHBondContact O-NE2 2.78Å
115S95.4Very high96Very high16 Ų1639.8 Ų39.811%0.11222%0.219CC..G310 helixtrans-89.5-11.9-179.9-61.30000113.3P112 R113 Q130 T134P112-S115 WeakPolarHBondContact O-CA 3.22Å; P112-S115 WeakPolarHBondContact O-CB 3.4Å; P112-S115 PolarHBondContact O-N 3.14Å; R113-S115 PolarHBondContact O-N 3.35Å; S115-Q130 VanDerWaalsContact C-NE2 3.34Å; S115-Q130 PolarHBondContact O-NE2 2.93Å; S115-T134 PolarHBondContact O-OG1 3.04Å
116L97.2Very high95.8Very high28 Ų2842.9 Ų42.915%0.14723%0.231CC..PPolyproline II helixtrans-77.4146.1179.9-62.7174.2000111.9L103 A106 V107 V111 P112 R113 Q130 T134L103-L116 HydrophobicContact CD2-CB 4.36Å; L103-L116 HydrophobicContact CD2-CD2 4.14Å; A106-L116 HydrophobicContact CB-CD2 4.09Å; V107-L116 HydrophobicContact CG2-CD1 3.17Å; V107-L116 HydrophobicContact CG2-CD2 4.41Å; V107-L116 HydrophobicContact CG2-CG 4.25Å; V111-L116 HydrophobicContact CB-CD2 4.21Å; V111-L116 HydrophobicContact CG1-CD2 3.72Å; V111-L116 HydrophobicContact CG1-CG 4.42Å; P112-L116 PolarHBondContact O-N 3.02Å; R113-L116 PolarHBondContact O-N 2.93Å; L116-Q130 PolarHBondContact O-NE2 3.15Å; L116-T134 WeakPolarHBondContact CA-OG1 3.41Å; L116-T134 HydrophobicContact CD2-CG2 3.88Å
117F97.6Very high95.6Very high4 Ų443.8 Ų43.82%0.01824%0.236CC..PPolyproline II helixtrans-81.4155.6163.971.6-92.5000111.3L59 I99 F102 L103 D121 L122 Q130 V131 T134L59-F117 HydrophobicContact CD1-CZ 3.99Å; I99-F117 HydrophobicContact CG2-CE2 3.51Å; I99-F117 HydrophobicContact CG2-CZ 3.88Å; F102-F117 HydrophobicContact CD1-CE1 4.2Å; F102-F117 HydrophobicContact CD1-CZ 4.22Å; F102-F117 AromaticContact CE1-CE1 3.82Å; F102-F117 HydrophobicContact CE1-CE1 3.82Å; F102-F117 HydrophobicContact CE1-CZ 4.28Å; L103-F117 HydrophobicContact CD1-CE2 4.36Å; L103-F117 VanDerWaalsContact CD1-O 3.3Å; L103-F117 WeakPolarHBondContact CD1-O 3.16Å; L103-F117 HydrophobicContact CD2-CD1 3.89Å; L103-F117 HydrophobicContact CD2-CD2 4.36Å; L103-F117 HydrophobicContact CD2-CE1 3.71Å; L103-F117 HydrophobicContact CD2-CE2 4.17Å; L103-F117 HydrophobicContact CD2-CG 4.21Å; L103-F117 HydrophobicContact CD2-CZ 3.83Å; L103-F117 WeakPolarHBondContact CD2-O 3.42Å; L103-F117 HydrophobicContact CG-CZ 4.35Å; F117-D121 HydrophobicContact CB-CB 4.11Å; F117-D121 HydrophobicContact CD2-CB 4.42Å; F117-L122 HydrophobicContact CD2-CB 4.01Å; F117-L122 HydrophobicContact CE2-CB 3.63Å; F117-L122 HydrophobicContact CE2-CD2 3.92Å; F117-L122 HydrophobicContact CE2-CG 4.46Å; F117-L122 HydrophobicContact CZ-CB 4.41Å; F117-L122 HydrophobicContact CZ-CD2 3.94Å; F117-Q130 HydrophobicContact CB-CB 4.26Å; F117-Q130 HydrophobicContact CB-CG 3.78Å; F117-V131 HydrophobicContact CB-CG2 4Å; F117-V131 HydrophobicContact CD1-CB 4.22Å; F117-V131 HydrophobicContact CD1-CG1 4.18Å; F117-V131 HydrophobicContact CD1-CG2 4.11Å; F117-V131 HydrophobicContact CD2-CG2 3.96Å; F117-V131 HydrophobicContact CE1-CG1 4.1Å; F117-V131 HydrophobicContact CE2-CG2 4.48Å; F117-V131 HydrophobicContact CG-CB 4.38Å; F117-V131 HydrophobicContact CG-CG2 3.79Å; F117-T134 HydrophobicContact CD1-CG2 3.83Å; F117-T134 WeakPolarHBondContact CD1-OG1 3.42Å; F117-T134 HydrophobicContact CE1-CG2 4.12Å; F117-T134 PolarHBondContact N-OG1 3.48Å
118Q96.6Very high95.5Very high130 Ų13041.9 Ų41.961%0.60722%0.224SC*.PPolyproline II helixtrans-85.2148.6170-59.4-173.3-31.600110V120 D121Q118-V120 HydrophobicContact CB-CG2 4.08Å; Q118-V120 PolarHBondContact O-N 3.34Å; Q118-D121 PolarHBondContact N-OD2 3.03Å; Q118-D121 WeakPolarHBondContact O-CA 3.35Å; Q118-D121 VanDerWaalsContact O-CB 3.22Å; Q118-D121 WeakPolarHBondContact O-CB 3.42Å; Q118-D121 PolarHBondContact O-N 3.17Å
119T96.9Very high95.5Very high20 Ų2042 Ų4212%0.12322%0.224CC..Hα-helixtrans-49.7-36.1-179.5-58.40000114.1M96 I99 Q100 D121 Y123M96-T119 HydrophobicContact CB-CG2 3.71Å; M96-T119 HydrophobicContact CG-CG2 3.73Å; I99-T119 HydrophobicContact CB-CG2 4.03Å; I99-T119 HydrophobicContact CD1-CG2 4.17Å; I99-T119 HydrophobicContact CG2-CG2 3.95Å; Q100-T119 PolarHBondContact OE1-OG1 3.49Å; T119-D121 VanDerWaalsContact C-N 3.35Å; T119-D121 PolarHBondContact O-N 3.49Å; T119-Y123 WeakPolarHBondContact O-CB 3.43Å; T119-Y123 PolarHBondContact O-N 3.43Å
120V94Very high95.4Very high33 Ų3343.9 Ų43.920%0.223%0.232CC..Hα-helixtrans-69.5-27177-64.60000113.9Q118 L122 E124Q118-V120 HydrophobicContact CB-CG2 4.08Å; Q118-V120 PolarHBondContact O-N 3.34Å; V120-L122 VanDerWaalsContact C-N 3.27Å; V120-L122 PolarHBondContact O-N 3.03Å; V120-E124 HydrophobicContact CB-CG 4.47Å; V120-E124 WeakPolarHBondContact O-CA 3.33Å; V120-E124 WeakPolarHBondContact O-CB 3.07Å; V120-E124 PolarHBondContact O-N 2.95Å
121D95.5Very high95.5Very high16 Ų1642.3 Ų42.39%0.08622%0.216CC..Hα-helixtrans-61.6-39.3179.3-65.9-26.9000111.4F117 Q118 T119 L125 R126 N127F117-D121 HydrophobicContact CB-CB 4.11Å; F117-D121 HydrophobicContact CD2-CB 4.42Å; Q118-D121 PolarHBondContact N-OD2 3.03Å; Q118-D121 WeakPolarHBondContact O-CA 3.35Å; Q118-D121 VanDerWaalsContact O-CB 3.22Å; Q118-D121 WeakPolarHBondContact O-CB 3.42Å; Q118-D121 PolarHBondContact O-N 3.17Å; T119-D121 VanDerWaalsContact C-N 3.35Å; T119-D121 PolarHBondContact O-N 3.49Å; D121-L125 CarbonylContact O-C 3.41Å; D121-L125 WeakPolarHBondContact O-CA 3.09Å; D121-R126 PolarHBondContact O-N 3.32Å; D121-N127 HydrophobicContact CB-CB 3.98Å; D121-N127 PolarHBondContact O-N 3.23Å
122L96.8Very high95.5Very high0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-85.6-51.517417656.3000111.8L53 L59 I99 F117 V120 E124 L125 M128 V131L53-L122 HydrophobicContact CB-CD1 3.96Å; L53-L122 HydrophobicContact CB-CD2 4.09Å; L59-L122 HydrophobicContact CD1-CD2 3.64Å; I99-L122 HydrophobicContact CD1-CB 4.48Å; I99-L122 HydrophobicContact CD1-CD2 3.91Å; I99-L122 HydrophobicContact CD1-CG 4.19Å; I99-L122 HydrophobicContact CG1-CD2 4.1Å; F117-L122 HydrophobicContact CD2-CB 4.01Å; F117-L122 HydrophobicContact CE2-CB 3.63Å; F117-L122 HydrophobicContact CE2-CD2 3.92Å; F117-L122 HydrophobicContact CE2-CG 4.46Å; F117-L122 HydrophobicContact CZ-CB 4.41Å; F117-L122 HydrophobicContact CZ-CD2 3.94Å; V120-L122 VanDerWaalsContact C-N 3.27Å; V120-L122 PolarHBondContact O-N 3.03Å; L122-E124 PolarHBondContact O-N 3.49Å; L122-L125 PolarHBondContact O-N 2.99Å; L122-M128 HydrophobicContact CD1-SD 4.01Å; L122-V131 HydrophobicContact CB-CG2 3.93Å; L122-V131 HydrophobicContact CD1-CG1 4.43Å; L122-V131 HydrophobicContact CD1-CG2 4.49Å
123Y95.8Very high95.6Very high35 Ų3542 Ų4214%0.13721%0.211CC..Hα-helixtrans-65.7-37.8-170.8-175.6-91.1000113.3K54 P92 Q95 M96 T119K54-Y123 WeakPolarHBondContact CE-O 3.41Å; K54-Y123 HydrophobicContact CG-CD2 4.06Å; K54-Y123 HydrophobicContact CG-CE2 4.41Å; K54-Y123 PolarHBondContact NZ-O 2.87Å; P92-Y123 WeakPolarHBondContact CA-OH 3.25Å; P92-Y123 WeakPolarHBondContact CB-OH 3.45Å; P92-Y123 WeakPolarHBondContact CG-OH 3.38Å; Q95-Y123 HydrophobicContact CB-CD2 4.33Å; Q95-Y123 HydrophobicContact CB-CE2 3.99Å; M96-Y123 HydrophobicContact CE-CD1 3.23Å; M96-Y123 HydrophobicContact CE-CD2 4.36Å; M96-Y123 HydrophobicContact CE-CE1 3.37Å; M96-Y123 HydrophobicContact CE-CE2 4.44Å; M96-Y123 HydrophobicContact CE-CG 3.79Å; M96-Y123 HydrophobicContact CG-CD2 4.06Å; M96-Y123 HydrophobicContact CG-CE2 4.37Å; M96-Y123 HydrophobicContact CG-CG 4.13Å; T119-Y123 WeakPolarHBondContact O-CB 3.43Å; T119-Y123 PolarHBondContact O-N 3.43Å
124E93.7Very high95.7Very high78 Ų7832.6 Ų32.636%0.36418%0.176SC..THydrogen-bonded Turntrans-105.710.7179-54.6-178.1171.800112.5R4 V120 L122 R126R4-E124 IonicContact NH1-OE1 3.6Å; R4-E124 PolarHBondContact NH1-OE1 3.05Å; R4-E124 IonicContact NH1-OE2 3.21Å; V120-E124 HydrophobicContact CB-CG 4.47Å; V120-E124 WeakPolarHBondContact O-CA 3.33Å; V120-E124 WeakPolarHBondContact O-CB 3.07Å; V120-E124 PolarHBondContact O-N 2.95Å; L122-E124 PolarHBondContact O-N 3.49Å; E124-R126 VanDerWaalsContact C-N 3.27Å; E124-R126 HydrophobicContact CB-CG 4.08Å; E124-R126 PolarHBondContact O-N 3.11Å; E124-R126 IonicContact OE1-NH2 3.17Å; E124-R126 IonicContact OE2-CZ 3.98Å; E124-R126 IonicContact OE2-NE 2.73Å; E124-R126 PolarHBondContact OE2-NE 3.3Å; E124-R126 IonicContact OE2-NH2 3.79Å; E124-R126 PolarHBondContact OE2-NH2 3Å
125L93.1Very high95.9Very high35 Ų3528.2 Ų28.218%0.18314%0.139CC..  trans6025.3177.7-106.797.9000116.2R46 E47 A50 D121 L122 M128R46-L125 PolarHBondContact NH2-O 3.21Å; E47-L125 WeakPolarHBondContact OE1-CD2 3.15Å; E47-L125 WeakPolarHBondContact OE2-CD2 3.31Å; A50-L125 HydrophobicContact CB-CD1 3.35Å; A50-L125 HydrophobicContact CB-CD2 4.03Å; A50-L125 HydrophobicContact CB-CG 3.62Å; D121-L125 CarbonylContact O-C 3.41Å; D121-L125 WeakPolarHBondContact O-CA 3.09Å; L122-L125 PolarHBondContact O-N 2.99Å; L125-M128 HydrophobicContact CG-CG 4.46Å
126R91.7Very high96Very high65 Ų6528.1 Ų28.125%0.24514%0.137CC..SBendtrans-71.3-39.6-173.9-51.8-163.8-163.3-1784.8113.9R4 N19 D121 E124R4-R126 VanDerWaalsContact NH2-NH2 3.19Å; N19-R126 PolarHBondContact ND2-O 3.24Å; D121-R126 PolarHBondContact O-N 3.32Å; E124-R126 VanDerWaalsContact C-N 3.27Å; E124-R126 HydrophobicContact CB-CG 4.08Å; E124-R126 PolarHBondContact O-N 3.11Å; E124-R126 IonicContact OE1-NH2 3.17Å; E124-R126 IonicContact OE2-CZ 3.98Å; E124-R126 IonicContact OE2-NE 2.73Å; E124-R126 PolarHBondContact OE2-NE 3.3Å; E124-R126 IonicContact OE2-NH2 3.79Å; E124-R126 PolarHBondContact OE2-NH2 3Å
127N94.5Very high96Very high19 Ų1928.9 Ų28.910%0.10214%0.14CC..  trans-147.871-171.8-171.64.8000111.7L18 D121 P129 Q130 V131L18-N127 HydrophobicContact CD1-CB 4.42Å; D121-N127 HydrophobicContact CB-CB 3.98Å; D121-N127 PolarHBondContact O-N 3.23Å; N127-P129 VanDerWaalsContact C-CD 3.44Å; N127-P129 WeakPolarHBondContact OD1-CD 3.24Å; N127-Q130 HydrophobicContact CB-CB 4.41Å; N127-Q130 WeakPolarHBondContact ND2-CB 3.26Å; N127-Q130 PolarHBondContact O-N 2.66Å; N127-Q130 PolarHBondContact OD1-N 2.96Å; N127-V131 PolarHBondContact O-N 2.79Å
128M95.2Very high96Very high0 Ų028.7 Ų28.70%014%0.139CC..Hα-helixtrans-61.1-33.3177.1-79.5-55.8-58.500114.9Y22 R46 V49 A50 L122 L125 Q130 V131 L132Y22-M128 HydrophobicContact CD2-CB 3.75Å; Y22-M128 HydrophobicContact CE2-CB 3.73Å; R46-M128 HydrophobicContact CG-CB 4.06Å; R46-M128 HydrophobicContact CG-CG 3.97Å; V49-M128 HydrophobicContact CB-CE 4.33Å; V49-M128 HydrophobicContact CG1-CE 3.71Å; A50-M128 HydrophobicContact CB-CE 4.11Å; A50-M128 HydrophobicContact CB-CG 4.24Å; A50-M128 HydrophobicContact CB-SD 3.65Å; L122-M128 HydrophobicContact CD1-SD 4.01Å; L125-M128 HydrophobicContact CG-CG 4.46Å; M128-Q130 VanDerWaalsContact C-N 3.27Å; M128-Q130 PolarHBondContact O-N 2.96Å; M128-V131 HydrophobicContact CE-CB 4.18Å; M128-V131 HydrophobicContact CE-CG1 4.32Å; M128-V131 WeakPolarHBondContact O-CB 3.24Å; M128-V131 PolarHBondContact O-N 3.27Å; M128-V131 HydrophobicContact SD-CB 4.33Å; M128-V131 HydrophobicContact SD-CG2 4Å; M128-L132 PolarHBondContact O-N 2.89Å; M128-L132 VanDerWaalsContact O-N 3.08Å
129P96.5Very high96Very high17 Ų1722.6 Ų22.611%0.1111%0.111CC..Hα-helixtrans-58.5-37.3174-3039.7000113.4L18 K21 Y22 N127 V131 L132 N133L18-P129 WeakPolarHBondContact O-CG 3.2Å; K21-P129 HydrophobicContact CB-CB 4.27Å; K21-P129 HydrophobicContact CB-CG 4.34Å; Y22-P129 HydrophobicContact CD2-CG 3.99Å; Y22-P129 HydrophobicContact CG-CG 4.37Å; N127-P129 VanDerWaalsContact C-CD 3.44Å; N127-P129 WeakPolarHBondContact OD1-CD 3.24Å; P129-V131 VanDerWaalsContact C-N 3.31Å; P129-V131 PolarHBondContact O-N 3.23Å; P129-L132 PolarHBondContact O-N 2.73Å; P129-N133 WeakPolarHBondContact O-CB 3.44Å; P129-N133 PolarHBondContact O-N 3.43Å
130Q96.2Very high96Very high40 Ų4021.9 Ų21.919%0.18711%0.107CC..Hα-helixtrans-68.9-31.1176.1-173.968-1.600112.2A114 S115 L116 F117 N127 M128 N133 T134A114-Q130 PolarHBondContact O-NE2 2.78Å; S115-Q130 VanDerWaalsContact C-NE2 3.34Å; S115-Q130 PolarHBondContact O-NE2 2.93Å; L116-Q130 PolarHBondContact O-NE2 3.15Å; F117-Q130 HydrophobicContact CB-CB 4.26Å; F117-Q130 HydrophobicContact CB-CG 3.78Å; N127-Q130 HydrophobicContact CB-CB 4.41Å; N127-Q130 WeakPolarHBondContact ND2-CB 3.26Å; N127-Q130 PolarHBondContact O-N 2.66Å; N127-Q130 PolarHBondContact OD1-N 2.96Å; M128-Q130 VanDerWaalsContact C-N 3.27Å; M128-Q130 PolarHBondContact O-N 2.96Å; Q130-N133 PolarHBondContact O-N 3.5Å; Q130-N133 PolarHBondContact OE1-ND2 2.79Å; Q130-T134 WeakPolarHBondContact O-CB 3.11Å; Q130-T134 PolarHBondContact O-N 3.31Å; Q130-T134 PolarHBondContact O-OG1 3.06Å
131V97.3Very high96.1Very high0 Ų020.7 Ų20.70%010%0.099CC..Hα-helixtrans-63.4-48.4172.9-177.90000110.2F117 L122 N127 M128 P129 T134 L135F117-V131 HydrophobicContact CB-CG2 4Å; F117-V131 HydrophobicContact CD1-CB 4.22Å; F117-V131 HydrophobicContact CD1-CG1 4.18Å; F117-V131 HydrophobicContact CD1-CG2 4.11Å; F117-V131 HydrophobicContact CD2-CG2 3.96Å; F117-V131 HydrophobicContact CE1-CG1 4.1Å; F117-V131 HydrophobicContact CE2-CG2 4.48Å; F117-V131 HydrophobicContact CG-CB 4.38Å; F117-V131 HydrophobicContact CG-CG2 3.79Å; L122-V131 HydrophobicContact CB-CG2 3.93Å; L122-V131 HydrophobicContact CD1-CG1 4.43Å; L122-V131 HydrophobicContact CD1-CG2 4.49Å; N127-V131 PolarHBondContact O-N 2.79Å; M128-V131 HydrophobicContact CE-CB 4.18Å; M128-V131 HydrophobicContact CE-CG1 4.32Å; M128-V131 WeakPolarHBondContact O-CB 3.24Å; M128-V131 PolarHBondContact O-N 3.27Å; M128-V131 HydrophobicContact SD-CB 4.33Å; M128-V131 HydrophobicContact SD-CG2 4Å; P129-V131 VanDerWaalsContact C-N 3.31Å; P129-V131 PolarHBondContact O-N 3.23Å; V131-T134 WeakPolarHBondContact O-CB 3.4Å; V131-T134 PolarHBondContact O-N 2.93Å; V131-L135 PolarHBondContact O-N 3.47Å; V131-L135 VanDerWaalsContact O-N 3.13Å
132L97Very high96.2Very high3 Ų320.1 Ų20.12%0.01610%0.096CC..Hα-helixtrans-60.6-47.9175.4-65.4-176.7000111.5Y22 E27 A30 I31 M128 P129 T134 L135 L136Y22-L132 HydrophobicContact CD2-CD1 3.89Å; Y22-L132 HydrophobicContact CE1-CD1 4.49Å; Y22-L132 HydrophobicContact CE2-CD1 3.34Å; Y22-L132 HydrophobicContact CE2-CG 3.93Å; E27-L132 HydrophobicContact CB-CD1 3.84Å; E27-L132 HydrophobicContact CG-CD1 4.41Å; E27-L132 HydrophobicContact CG-CD2 4.47Å; A30-L132 HydrophobicContact CB-CD2 4.15Å; I31-L132 HydrophobicContact CD1-CD2 4.47Å; M128-L132 PolarHBondContact O-N 2.89Å; M128-L132 VanDerWaalsContact O-N 3.08Å; P129-L132 PolarHBondContact O-N 2.73Å; L132-T134 PolarHBondContact O-N 3.39Å; L132-L135 WeakPolarHBondContact O-CB 3.29Å; L132-L135 PolarHBondContact O-N 3.5Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 2.88Å
133N96.7Very high96.1Very high53 Ų5322.3 Ų22.328%0.28311%0.107SC..Hα-helixtrans-57-39176.5-178.448.7000111.7P129 Q130 L135 L136 Q137P129-N133 WeakPolarHBondContact O-CB 3.44Å; P129-N133 PolarHBondContact O-N 3.43Å; Q130-N133 PolarHBondContact O-N 3.5Å; Q130-N133 PolarHBondContact OE1-ND2 2.79Å; N133-L135 PolarHBondContact O-N 3.48Å; N133-L136 PolarHBondContact O-N 2.86Å; N133-Q137 VanDerWaalsContact O-CB 3.25Å; N133-Q137 WeakPolarHBondContact O-CB 3.39Å; N133-Q137 WeakPolarHBondContact O-CG 3.46Å; N133-Q137 PolarHBondContact O-N 3.35Å
134T97.9Very high96Very high0 Ų024.4 Ų24.40%011%0.114CC..Hα-helixtrans-63.5-41.5175.8-57.50000112.1F102 S115 L116 F117 Q130 V131 L132 Q137 L138F102-T134 HydrophobicContact CE1-CG2 4.26Å; S115-T134 PolarHBondContact O-OG1 3.04Å; L116-T134 WeakPolarHBondContact CA-OG1 3.41Å; L116-T134 HydrophobicContact CD2-CG2 3.88Å; F117-T134 HydrophobicContact CD1-CG2 3.83Å; F117-T134 WeakPolarHBondContact CD1-OG1 3.42Å; F117-T134 HydrophobicContact CE1-CG2 4.12Å; F117-T134 PolarHBondContact N-OG1 3.48Å; Q130-T134 WeakPolarHBondContact O-CB 3.11Å; Q130-T134 PolarHBondContact O-N 3.31Å; Q130-T134 PolarHBondContact O-OG1 3.06Å; V131-T134 WeakPolarHBondContact O-CB 3.4Å; V131-T134 PolarHBondContact O-N 2.93Å; L132-T134 PolarHBondContact O-N 3.39Å; T134-Q137 PolarHBondContact O-N 3.38Å; T134-L138 WeakPolarHBondContact O-CB 3.39Å; T134-L138 PolarHBondContact O-N 3.33Å
135L98Very high96Very high0 Ų022.1 Ų22.10%010%0.104CC..Hα-helixtrans-66.2-44.3177.6-66.9175.1000111.5A30 L34 L53 L59 L62 F102 V131 L132 N133 Q137 L138 G139A30-L135 HydrophobicContact CB-CB 4.1Å; A30-L135 HydrophobicContact CB-CD1 4.34Å; L34-L135 HydrophobicContact CD1-CD1 4.07Å; L34-L135 HydrophobicContact CD1-CD2 4.34Å; L53-L135 HydrophobicContact CD1-CD1 4.36Å; L59-L135 HydrophobicContact CD2-CD2 4.06Å; L62-L135 HydrophobicContact CD2-CD2 3.62Å; F102-L135 HydrophobicContact CZ-CD2 4.11Å; V131-L135 PolarHBondContact O-N 3.47Å; V131-L135 VanDerWaalsContact O-N 3.13Å; L132-L135 WeakPolarHBondContact O-CB 3.29Å; L132-L135 PolarHBondContact O-N 3.5Å; N133-L135 PolarHBondContact O-N 3.48Å; L135-Q137 VanDerWaalsContact C-N 3.34Å; L135-Q137 PolarHBondContact O-N 3.24Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.33Å; L135-G139 PolarHBondContact O-N 3.36Å
136L97.7Very high96Very high15 Ų1527 Ų278%0.07913%0.131CC..Hα-helixtrans-61.9-42.9175.5-65.8175.4000111.3E29 A30 L132 N133 G139 T140 G153E29-L136 HydrophobicContact CB-CD2 4.22Å; E29-L136 HydrophobicContact CG-CD2 4.09Å; A30-L136 HydrophobicContact CB-CD2 3.97Å; A30-L136 HydrophobicContact CB-CG 4.26Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 2.88Å; N133-L136 PolarHBondContact O-N 2.86Å; L136-G139 CarbonylContact O-C 3.54Å; L136-G139 WeakPolarHBondContact O-CA 3.5Å; L136-G139 PolarHBondContact O-N 3.44Å; L136-G139 VanDerWaalsContact O-N 3.09Å; L136-T140 PolarHBondContact O-N 2.96Å; L136-T140 PolarHBondContact O-OG1 3.36Å; L136-G153 WeakPolarHBondContact O-CA 3.36Å
137Q97.3Very high96.1Very high44 Ų4425 Ų2521%0.20612%0.124CC..Hα-helixtrans-68.7-34.2178.3-67.9-73.6-2.200112.1V111 N133 T134 L135 G139 T140 E141V111-Q137 HydrophobicContact CG1-CB 4.25Å; N133-Q137 VanDerWaalsContact O-CB 3.25Å; N133-Q137 WeakPolarHBondContact O-CB 3.39Å; N133-Q137 WeakPolarHBondContact O-CG 3.46Å; N133-Q137 PolarHBondContact O-N 3.35Å; T134-Q137 PolarHBondContact O-N 3.38Å; L135-Q137 VanDerWaalsContact C-N 3.34Å; L135-Q137 PolarHBondContact O-N 3.24Å; Q137-G139 VanDerWaalsContact C-N 3.31Å; Q137-T140 WeakPolarHBondContact O-CB 3.49Å; Q137-T140 PolarHBondContact O-N 3.25Å; Q137-E141 WeakPolarHBondContact O-CG 3.47Å; Q137-E141 PolarHBondContact O-N 3.12Å
138L97.8Very high96.1Very high0 Ų031.1 Ų31.10%016%0.157CC..Hα-helixtrans-60.3-43.3167.9-18063.6000110.9W33 L62 I63 F102 Y109 V111 T134 L135 T140 E141 C142W33-L138 HydrophobicContact CH2-CD2 4.18Å; W33-L138 HydrophobicContact CH2-CG 4.15Å; W33-L138 HydrophobicContact CZ3-CD2 4.43Å; L62-L138 HydrophobicContact CD2-CD2 4.28Å; I63-L138 HydrophobicContact CD1-CD1 3.9Å; I63-L138 HydrophobicContact CD1-CD2 3.96Å; F102-L138 HydrophobicContact CE2-CD2 3.88Å; F102-L138 HydrophobicContact CZ-CD2 4.02Å; Y109-L138 HydrophobicContact CD1-CD1 3.76Å; Y109-L138 HydrophobicContact CE1-CD1 4.3Å; Y109-L138 HydrophobicContact CG-CD1 4.42Å; V111-L138 HydrophobicContact CG2-CB 4.03Å; V111-L138 HydrophobicContact CG2-CD1 3.77Å; T134-L138 WeakPolarHBondContact O-CB 3.39Å; T134-L138 PolarHBondContact O-N 3.33Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.33Å; L138-T140 PolarHBondContact O-N 2.83Å; L138-E141 PolarHBondContact O-N 3.24Å; L138-C142 PolarHBondContact O-N 3.25Å; L138-C142 PolarHBondContact O-SG 3.36Å
139G97.2Very high96Very high1 Ų132.7 Ų32.71%0.0117%0.173CC..Hα-helixtrans-58.2-42.9172.200000113.2L135 L136 Q137 E141 C142 Q143 C152L135-G139 PolarHBondContact O-N 3.36Å; L136-G139 CarbonylContact O-C 3.54Å; L136-G139 WeakPolarHBondContact O-CA 3.5Å; L136-G139 PolarHBondContact O-N 3.44Å; L136-G139 VanDerWaalsContact O-N 3.09Å; Q137-G139 VanDerWaalsContact C-N 3.31Å; G139-E141 PolarHBondContact O-N 3.17Å; G139-C142 VanDerWaalsContact O-CB 3.29Å; G139-C142 WeakPolarHBondContact O-CB 3.23Å; G139-C142 PolarHBondContact O-N 3.38Å; G139-Q143 WeakPolarHBondContact O-CG 3.36Å; G139-Q143 PolarHBondContact O-N 2.79Å; G139-C152 CarbonylContact C-O 2.96Å; G139-C152 VanDerWaalsContact CA-O 3.23Å; G139-C152 WeakPolarHBondContact CA-O 3.45Å
140T96.9Very high95.9Very high5 Ų533.7 Ų33.73%0.03118%0.179CC..Hα-helixtrans-59.4-46.6173.1-60.90000111.6L136 Q137 L138 C142 Q143 R144 C152 P154 P156L136-T140 PolarHBondContact O-N 2.96Å; L136-T140 PolarHBondContact O-OG1 3.36Å; Q137-T140 WeakPolarHBondContact O-CB 3.49Å; Q137-T140 PolarHBondContact O-N 3.25Å; L138-T140 PolarHBondContact O-N 2.83Å; T140-C142 VanDerWaalsContact C-N 3.29Å; T140-C142 PolarHBondContact O-N 2.91Å; T140-Q143 WeakPolarHBondContact O-CB 3.41Å; T140-Q143 PolarHBondContact O-N 3.38Å; T140-Q143 VanDerWaalsContact O-N 3.14Å; T140-R144 PolarHBondContact O-N 3.19Å; T140-R144 VanDerWaalsContact O-N 3.1Å; T140-C152 PolarHBondContact N-O 3.43Å; T140-P154 WeakPolarHBondContact CB-O 3.25Å; T140-P154 VanDerWaalsContact CG2-O 3.24Å; T140-P154 WeakPolarHBondContact CG2-O 3.25Å; T140-P154 WeakPolarHBondContact OG1-CD 3.27Å; T140-P154 WeakPolarHBondContact OG1-CG 3.26Å; T140-P154 PolarHBondContact OG1-O 2.97Å; T140-P156 HydrophobicContact CG2-CB 4.26Å; T140-P156 HydrophobicContact CG2-CG 3.99Å; T140-P156 WeakPolarHBondContact O-CG 3.28Å
141E95.6Very high95.8Very high9 Ų936.9 Ų36.94%0.04220%0.201CC..Hα-helixtrans-66.8-30176.6-63-51.7135.500112.7Y109 V111 Q137 L138 G139 Q143 R144 N145Y109-E141 HydrophobicContact CD1-CB 4.06Å; Y109-E141 HydrophobicContact CE1-CB 4.17Å; V111-E141 HydrophobicContact CG2-CB 4.44Å; V111-E141 HydrophobicContact CG2-CG 3.99Å; Q137-E141 WeakPolarHBondContact O-CG 3.47Å; Q137-E141 PolarHBondContact O-N 3.12Å; L138-E141 PolarHBondContact O-N 3.24Å; G139-E141 PolarHBondContact O-N 3.17Å; E141-Q143 VanDerWaalsContact C-N 3.33Å; E141-Q143 PolarHBondContact O-N 2.8Å; E141-R144 PolarHBondContact O-N 3.08Å; E141-R144 IonicContact OE1-CZ 2.79Å; E141-R144 IonicContact OE1-NH1 3.93Å; E141-R144 PolarHBondContact OE1-NH1 3.37Å; E141-R144 IonicContact OE2-CZ 3.82Å; E141-R144 IonicContact OE2-NH1 2.66Å; E141-R144 PolarHBondContact OE2-NH1 3.26Å; E141-N145 WeakPolarHBondContact O-CB 3.39Å; E141-N145 PolarHBondContact O-N 3.24Å; E141-N145 PolarHBondContact O-ND2 3.33Å
142C96.6Very high95.7Very high4 Ų437 Ų373%0.02720%0.202CC..Hα-helixtrans-60.6-42.5170.6-70.90000111.7V66 Y109 L138 G139 T140 R144 N145 N146 F147V66-C142 WeakPolarHBondContact CG1-SG 3.25Å; Y109-C142 HydrophobicContact CE1-CB 4.47Å; L138-C142 PolarHBondContact O-N 3.25Å; L138-C142 PolarHBondContact O-SG 3.36Å; G139-C142 VanDerWaalsContact O-CB 3.29Å; G139-C142 WeakPolarHBondContact O-CB 3.23Å; G139-C142 PolarHBondContact O-N 3.38Å; T140-C142 VanDerWaalsContact C-N 3.29Å; T140-C142 PolarHBondContact O-N 2.91Å; C142-R144 VanDerWaalsContact C-N 3.34Å; C142-R144 PolarHBondContact O-N 3.35Å; C142-N145 PolarHBondContact O-N 2.83Å; C142-N146 PolarHBondContact O-N 2.98Å; C142-F147 HydrophobicContact CB-CB 3.63Å; C142-F147 HydrophobicContact CB-CD1 3.92Å; C142-F147 HydrophobicContact CB-CG 3.97Å; C142-F147 VanDerWaalsContact O-CB 3.29Å; C142-F147 WeakPolarHBondContact O-CB 3.5Å; C142-F147 PolarHBondContact O-N 3.18Å
143Q95.7Very high95.5Very high46 Ų4637.3 Ų37.322%0.21521%0.206CC..Hα-helixtrans-62.3-41.3174.1-63.2173.45900111.5G139 T140 E141 N145 N146 V151 C152 G153 P154 P156G139-Q143 WeakPolarHBondContact O-CG 3.36Å; G139-Q143 PolarHBondContact O-N 2.79Å; T140-Q143 WeakPolarHBondContact O-CB 3.41Å; T140-Q143 PolarHBondContact O-N 3.38Å; T140-Q143 VanDerWaalsContact O-N 3.14Å; E141-Q143 VanDerWaalsContact C-N 3.33Å; E141-Q143 PolarHBondContact O-N 2.8Å; Q143-N145 VanDerWaalsContact C-N 3.32Å; Q143-N145 PolarHBondContact O-N 3.21Å; Q143-N146 PolarHBondContact O-N 3.45Å; Q143-V151 VanDerWaalsContact CD-CG1 3.45Å; Q143-V151 HydrophobicContact CG-CG1 3.81Å; Q143-C152 PolarHBondContact NE2-O 2.92Å; Q143-G153 PolarHBondContact NE2-O 3.16Å; Q143-P154 PolarHBondContact NE2-O 3.26Å; Q143-P156 HydrophobicContact CB-CG 3.74Å
144R94.1Very high95.4Very high78 Ų7838.2 Ų38.229%0.29422%0.215SC..Hα-helixtrans-64.5-35.5178.1-175.8174.1-74.1130.6-1.1112.6T140 E141 C142 P156 T157T140-R144 PolarHBondContact O-N 3.19Å; T140-R144 VanDerWaalsContact O-N 3.1Å; E141-R144 PolarHBondContact O-N 3.08Å; E141-R144 IonicContact OE1-CZ 2.79Å; E141-R144 IonicContact OE1-NH1 3.93Å; E141-R144 PolarHBondContact OE1-NH1 3.37Å; E141-R144 IonicContact OE2-CZ 3.82Å; E141-R144 IonicContact OE2-NH1 2.66Å; E141-R144 PolarHBondContact OE2-NH1 3.26Å; C142-R144 VanDerWaalsContact C-N 3.34Å; C142-R144 PolarHBondContact O-N 3.35Å; R144-P156 HydrophobicContact CB-CB 4.21Å; R144-P156 HydrophobicContact CB-CG 4.02Å; R144-T157 PolarHBondContact NH2-O 3.46Å
145N94Very high95.2Very high30 Ų3046.7 Ų46.716%0.1625%0.252CS..THydrogen-bonded Turntrans-93.612-176.7-65.7-38.2000114.1T70 Y109 E141 C142 Q143 F147T70-N145 HydrophobicContact CG2-CB 3.92Å; Y109-N145 PolarHBondContact O-ND2 3.1Å; Y109-N145 VanDerWaalsContact O-ND2 3.11Å; E141-N145 WeakPolarHBondContact O-CB 3.39Å; E141-N145 PolarHBondContact O-N 3.24Å; E141-N145 PolarHBondContact O-ND2 3.33Å; C142-N145 PolarHBondContact O-N 2.83Å; Q143-N145 VanDerWaalsContact C-N 3.32Å; Q143-N145 PolarHBondContact O-N 3.21Å; N145-F147 VanDerWaalsContact C-N 3.33Å; N145-F147 PolarHBondContact O-N 3.31Å
146N92.5Very high94.9Very high138 Ų13847.6 Ų47.674%0.73826%0.258SS*.THydrogen-bonded Turntrans55.143.7-178.6-55.4-61.5000113.5C142 Q143 N148C142-N146 PolarHBondContact O-N 2.98Å; Q143-N146 PolarHBondContact O-N 3.45Å; N146-N148 PolarHBondContact O-N 3.27Å
147F94.2Very high94.5Very high23 Ų2352.5 Ų52.510%0.10129%0.289CS..BIsolated β-bridgetrans-59.1129.8173.2171.8-114.2000111.3L37 V66 T70 C142 N145 G149L37-F147 HydrophobicContact CD1-CE1 4.04Å; L37-F147 HydrophobicContact CD1-CZ 4.03Å; L37-F147 HydrophobicContact CD2-CE1 3.94Å; L37-F147 HydrophobicContact CD2-CZ 3.7Å; V66-F147 WeakPolarHBondContact O-CD2 3.45Å; T70-F147 WeakPolarHBondContact OG1-CD2 3.16Å; C142-F147 HydrophobicContact CB-CB 3.63Å; C142-F147 HydrophobicContact CB-CD1 3.92Å; C142-F147 HydrophobicContact CB-CG 3.97Å; C142-F147 VanDerWaalsContact O-CB 3.29Å; C142-F147 WeakPolarHBondContact O-CB 3.5Å; C142-F147 PolarHBondContact O-N 3.18Å; N145-F147 VanDerWaalsContact C-N 3.33Å; N145-F147 PolarHBondContact O-N 3.31Å; F147-G149 VanDerWaalsContact C-N 3.34Å; F147-G149 VanDerWaalsContact CE1-CA 3.48Å; F147-G149 PolarHBondContact O-N 2.9Å; F147-G149 VanDerWaalsContact O-N 3.08Å
148N93.9Very high94.1Very high148 Ų14858.3 Ų58.379%0.79131%0.31SS*.SBendtrans-84.673.1178.5-174.439.2000111.3G69 N146G69-N148 WeakPolarHBondContact O-CB 3.38Å; G69-N148 PolarHBondContact O-N 3.31Å; N146-N148 PolarHBondContact O-N 3.27Å
149G93.1Very high93.5Very high33 Ų3365.6 Ų65.634%0.3434%0.344SS..SBendtrans-166.8-174.4177.900000112.9F147F147-G149 VanDerWaalsContact C-N 3.34Å; F147-G149 VanDerWaalsContact CE1-CA 3.48Å; F147-G149 PolarHBondContact O-N 2.9Å; F147-G149 VanDerWaalsContact O-N 3.08Å
150P94.5Very high93Very high37 Ų3771.4 Ų71.424%0.2438%0.375CS..  trans-57.4143.1177.725.3-37000112.1W33 Q36 L37W33-P150 PolarHBondContact NE1-O 3.42Å; Q36-P150 HydrophobicContact CG-CG 4.17Å; Q36-P150 VanDerWaalsContact OE1-CB 3.31Å; L37-P150 HydrophobicContact CD2-CG 3.73Å; L37-P150 HydrophobicContact CG-CG 4.07Å
151V94.4Very high92.5Very high108 Ų10878.4 Ų78.466%0.65541%0.405SS*.  trans-82.9138.1177.5176.10000109.7Q143Q143-V151 VanDerWaalsContact CD-CG1 3.45Å; Q143-V151 HydrophobicContact CG-CG1 3.81Å
152C94.7Very high92.1Very high1 Ų186.9 Ų86.91%0.00744%0.436CS..  trans-147.9149.4175.6176.50000109.2W33 G139 T140 Q143W33-C152 HydrophobicContact CB-CB 3.73Å; W33-C152 HydrophobicContact CD2-CB 3.54Å; W33-C152 HydrophobicContact CE3-CB 4.26Å; W33-C152 HydrophobicContact CG-CB 3.26Å; G139-C152 CarbonylContact C-O 2.96Å; G139-C152 VanDerWaalsContact CA-O 3.23Å; G139-C152 WeakPolarHBondContact CA-O 3.45Å; T140-C152 PolarHBondContact N-O 3.43Å; Q143-C152 PolarHBondContact NE2-O 2.92Å
153G93.8Very high91.7Very high11 Ų1195.5 Ų95.511%0.11348%0.476CS..SBendtrans82.5169.7178.200000113.8E29 L136 Q143E29-G153 PolarHBondContact OE1-N 2.94Å; L136-G153 WeakPolarHBondContact O-CA 3.36Å; Q143-G153 PolarHBondContact NE2-O 3.16Å
154P94.4Very high91.4Very high72 Ų7299.4 Ų99.447%0.46849%0.492SS..SBendtrans-60.3154.217925.5-33.8000111.6T140 Q143T140-P154 WeakPolarHBondContact CB-O 3.25Å; T140-P154 VanDerWaalsContact CG2-O 3.24Å; T140-P154 WeakPolarHBondContact CG2-O 3.25Å; T140-P154 WeakPolarHBondContact OG1-CD 3.27Å; T140-P154 WeakPolarHBondContact OG1-CG 3.26Å; T140-P154 PolarHBondContact OG1-O 2.97Å; Q143-P154 PolarHBondContact NE2-O 3.26Å
155K94.1Very high91.2Very high178 Ų17898.8 Ų98.877%0.77450%0.498SS*.PPolyproline II helixtrans-60.9139.2175.4-71.9-174.5177.3-178.80110.6T157K155-T157 PolarHBondContact O-N 3.06Å
156P91.5Very high91Very high19 Ų19103.8 Ų103.812%0.12352%0.52CS..PPolyproline II helixtrans-55.5131.9173.6-24.632.6000111.5T140 Q143 R144 Y158T140-P156 HydrophobicContact CG2-CB 4.26Å; T140-P156 HydrophobicContact CG2-CG 3.99Å; T140-P156 WeakPolarHBondContact O-CG 3.28Å; Q143-P156 HydrophobicContact CB-CG 3.74Å; R144-P156 HydrophobicContact CB-CB 4.21Å; R144-P156 HydrophobicContact CB-CG 4.02Å; P156-Y158 HydrophobicContact CB-CE2 4.28Å
157T88.9Confident90.8Very high118 Ų118103 Ų10372%0.72451%0.512SS*.PPolyproline II helixtrans-89.3145.2168.354.40000109.7R144 K155R144-T157 PolarHBondContact NH2-O 3.46Å; K155-T157 PolarHBondContact O-N 3.06Å
158Y87.6Confident90.4Very high166 Ų166107.1 Ų107.165%0.65153%0.532SS*.  trans-115.6141.8177-61.4-82.4000108.9P156 N160P156-Y158 HydrophobicContact CB-CE2 4.28Å; Y158-N160 PolarHBondContact O-N 3.39Å
159E86Confident90.1Very high152 Ų152105 Ų10571%0.7152%0.519SS*.  trans-60.9125.617355.6167.5-159.900109.6K161E159-K161 VanDerWaalsContact CD-NZ 3.33Å; E159-K161 WeakPolarHBondContact OE1-CE 3.46Å; E159-K161 IonicContact OE1-NZ 2.74Å; E159-K161 PolarHBondContact OE1-NZ 2.9Å; E159-K161 VanDerWaalsContact OE2-CE 3.25Å; E159-K161 WeakPolarHBondContact OE2-CE 3.39Å; E159-K161 IonicContact OE2-NZ 3.22Å; E159-K161 PolarHBondContact OE2-NZ 3.36Å
160N86.4Confident89.8Confident124 Ų124110 Ų11066%0.66353%0.528SS*.  trans-10885.8172.2-174.2-0.6000107.9Y158 R162Y158-N160 PolarHBondContact O-N 3.39Å; N160-R162 PolarHBondContact O-N 3.14Å; N160-R162 VanDerWaalsContact O-N 3.14Å
161K87.3Confident89.2Confident152 Ų152111.5 Ų111.566%0.66154%0.543SS*.  trans-67.8109174.6-74.1173.8173.9145.30108E159E159-K161 VanDerWaalsContact CD-NZ 3.33Å; E159-K161 WeakPolarHBondContact OE1-CE 3.46Å; E159-K161 IonicContact OE1-NZ 2.74Å; E159-K161 PolarHBondContact OE1-NZ 2.9Å; E159-K161 VanDerWaalsContact OE2-CE 3.25Å; E159-K161 WeakPolarHBondContact OE2-CE 3.39Å; E159-K161 IonicContact OE2-NZ 3.22Å; E159-K161 PolarHBondContact OE2-NZ 3.36Å
162R87.7Confident88.4Confident186 Ų186110 Ų11070%0.70254%0.538SS*.PPolyproline II helixtrans-87.3122.5174.9-64.7179.1-178.5-179.1-0.5108.3N160 F164N160-R162 PolarHBondContact O-N 3.14Å; N160-R162 VanDerWaalsContact O-N 3.14Å; R162-F164 HydrophobicContact CB-CE2 4.23Å; R162-F164 HydrophobicContact CB-CZ 4.3Å
163E87.7Confident87.7Confident185 Ų185117.2 Ų117.286%0.86457%0.571SS**PPolyproline II helixtrans-92.4127.7169.4-64.3-177.1171.900108
164F89.9Confident86.6Confident128 Ų128119 Ų11956%0.56159%0.591SS**PPolyproline II helixtrans-102137.3174.4-63.5-81.7000108.3R162 Q168 L169R162-F164 HydrophobicContact CB-CE2 4.23Å; R162-F164 HydrophobicContact CB-CZ 4.3Å; F164-Q168 HydrophobicContact CB-CB 4.5Å; F164-L169 HydrophobicContact CB-CD2 4.15Å; F164-L169 HydrophobicContact CB-CG 4.09Å
165T90Very high85.5Confident66 Ų66122 Ų12241%0.40560%0.601SS.*PPolyproline II helixtrans-70.7156.317381.60000110E167 Q168 L169T165-E167 WeakPolarHBondContact CB-OE2 3.45Å; T165-E167 PolarHBondContact O-N 3.48Å; T165-E167 PolarHBondContact OG1-N 2.96Å; T165-E167 PolarHBondContact OG1-OE2 3.39Å; T165-Q168 VanDerWaalsContact N-OE1 3.14Å; T165-Q168 WeakPolarHBondContact O-CB 3.46Å; T165-Q168 PolarHBondContact O-N 3.18Å; T165-Q168 PolarHBondContact OG1-N 3.24Å; T165-L169 PolarHBondContact O-N 2.97Å; T165-L169 VanDerWaalsContact O-N 3.08Å
166E88.2Confident84.3Confident135 Ų135117.3 Ų117.363%0.63158%0.584SS**Hα-helixtrans-58-34.5176.3-74.5-167.3172.200111.8L169 R170E166-L169 PolarHBondContact O-N 3.5Å; E166-R170 WeakPolarHBondContact O-CB 3.41Å; E166-R170 PolarHBondContact O-N 3.21Å
167E87.8Confident83Confident121 Ų121118.4 Ų118.457%0.56560%0.598SS**Hα-helixtrans-64.9-39.4176.4-58.473.3-157.500111.7T165 R170 A171T165-E167 WeakPolarHBondContact CB-OE2 3.45Å; T165-E167 PolarHBondContact O-N 3.48Å; T165-E167 PolarHBondContact OG1-N 2.96Å; T165-E167 PolarHBondContact OG1-OE2 3.39Å; E167-R170 PolarHBondContact O-N 3.49Å; E167-A171 WeakPolarHBondContact O-CB 3.39Å; E167-A171 PolarHBondContact O-N 2.89Å
168Q87.4Confident82Confident110 Ų110120.8 Ų120.851%0.51461%0.606SS.*Hα-helixtrans-66.2-39.4175.7-71.1176.5-24.600111.6F164 T165 A171F164-Q168 HydrophobicContact CB-CB 4.5Å; T165-Q168 VanDerWaalsContact N-OE1 3.14Å; T165-Q168 WeakPolarHBondContact O-CB 3.46Å; T165-Q168 PolarHBondContact O-N 3.18Å; T165-Q168 PolarHBondContact OG1-N 3.24Å; Q168-A171 PolarHBondContact O-N 3.23Å
169L87.7Confident80.7Confident102 Ų102122.8 Ų122.853%0.53462%0.621SS.*Hα-helixtrans-64.5-44.8173.7-67.6171.3000110.7F164 T165 E166 A171 S172F164-L169 HydrophobicContact CB-CD2 4.15Å; F164-L169 HydrophobicContact CB-CG 4.09Å; T165-L169 PolarHBondContact O-N 2.97Å; T165-L169 VanDerWaalsContact O-N 3.08Å; E166-L169 PolarHBondContact O-N 3.5Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.1Å; L169-S172 WeakPolarHBondContact O-CB 3.34Å; L169-S172 PolarHBondContact O-N 3.5Å; L169-S172 PolarHBondContact O-OG 3.5Å
170R86.7Confident79.7Confident139 Ų139119.3 Ų119.353%0.52562%0.618SS.*Hα-helixtrans-66.6-29.8178.7-164.9-176-71.7132.12.7113E166 E167 S172 E173E166-R170 WeakPolarHBondContact O-CB 3.41Å; E166-R170 PolarHBondContact O-N 3.21Å; E167-R170 PolarHBondContact O-N 3.49Å; R170-S172 PolarHBondContact O-N 3.27Å; R170-S172 VanDerWaalsContact O-N 3.11Å; R170-E173 WeakPolarHBondContact CG-OE2 3.39Å; R170-E173 VanDerWaalsContact O-CB 3.31Å; R170-E173 WeakPolarHBondContact O-CB 3.35Å; R170-E173 PolarHBondContact O-N 3.14Å
171A81.5Confident77.9Confident68 Ų68115.2 Ų115.256%0.56261%0.606SS**Hα-helixtrans-58.7-24.9175.800000112.8E167 Q168 L169E167-A171 WeakPolarHBondContact O-CB 3.39Å; E167-A171 PolarHBondContact O-N 2.89Å; Q168-A171 PolarHBondContact O-N 3.23Å; L169-A171 VanDerWaalsContact C-N 3.32Å; L169-A171 PolarHBondContact O-N 3.1Å
172S77.7Confident76.3Confident77 Ų77112.1 Ų112.154%0.53860%0.599SS.*THydrogen-bonded Turntrans-71.3-27.1173.874.80000113.6L169 R170 G174 I175L169-S172 WeakPolarHBondContact O-CB 3.34Å; L169-S172 PolarHBondContact O-N 3.5Å; L169-S172 PolarHBondContact O-OG 3.5Å; R170-S172 PolarHBondContact O-N 3.27Å; R170-S172 VanDerWaalsContact O-N 3.11Å; S172-G174 PolarHBondContact O-N 3.43Å; S172-I175 PolarHBondContact O-N 2.92Å; S172-I175 VanDerWaalsContact O-N 3.12Å
173E78.8Confident74.8Confident152 Ų152107 Ų10771%0.7159%0.586SS**THydrogen-bonded Turntrans-66.9-27-179-60.7-179.6173.200112.2R170 I175R170-E173 WeakPolarHBondContact CG-OE2 3.39Å; R170-E173 VanDerWaalsContact O-CB 3.31Å; R170-E173 WeakPolarHBondContact O-CB 3.35Å; R170-E173 PolarHBondContact O-N 3.14Å; E173-I175 VanDerWaalsContact C-N 3.29Å; E173-I175 PolarHBondContact O-N 3.07Å
174G72.4Confident73.2Confident50 Ų50107.1 Ų107.152%0.51558%0.584SS.*THydrogen-bonded Turntrans-77.6-9.8176.200000114.5S172 I176S172-G174 PolarHBondContact O-N 3.43Å; G174-I176 PolarHBondContact O-N 3.3Å
175I70.5Confident71.5Confident133 Ų133106.7 Ų106.768%0.68260%0.595SS**  trans-89.296.1-176.8-56.6177.9000109.2S172 E173 G177S172-I175 PolarHBondContact O-N 2.92Å; S172-I175 VanDerWaalsContact O-N 3.12Å; E173-I175 VanDerWaalsContact C-N 3.29Å; E173-I175 PolarHBondContact O-N 3.07Å; I175-G177 PolarHBondContact O-N 2.97Å
176I69.2Low69.7Low81 Ų81107.1 Ų107.142%0.41561%0.605SS.*  trans-79.7117.2170.8-55.8177.3000108G174 A180 G181 N183G174-I176 PolarHBondContact O-N 3.3Å; I176-A180 HydrophobicContact CG2-CB 3.39Å; I176-G181 WeakPolarHBondContact CG2-O 3.25Å; I176-N183 HydrophobicContact CD1-CB 4.26Å
177G63Low68.1Low42 Ų42105.1 Ų105.143%0.43361%0.607SS.*  trans-58.3152.8179.500000112.4I175 Q179 A180I175-G177 PolarHBondContact O-N 2.97Å; G177-Q179 PolarHBondContact O-N 3.48Å; G177-A180 PolarHBondContact O-N 3.13Å
178L69.4Low66.5Low168 Ų168107.1 Ų107.188%0.8862%0.616SS**G310 helixtrans-52.8-33.7-175.5-15985.7000113.2A180 G181L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 2.88Å; L178-G181 PolarHBondContact O-N 3.04Å
179Q60Low64.6Low207 Ų207106 Ų10697%0.96763%0.625SS**G310 helixtrans-69.6-24.9177.8-70.5179.6-29.800113.9G177 G181G177-Q179 PolarHBondContact O-N 3.48Å; Q179-G181 VanDerWaalsContact C-N 3.35Å
180A64.4Low63.1Low79 Ų79105.2 Ų105.265%0.65364%0.642SS**G310 helixtrans-91.12.5177.800000113.1I176 G177 L178I176-A180 HydrophobicContact CG2-CB 3.39Å; G177-A180 PolarHBondContact O-N 3.13Å; L178-A180 VanDerWaalsContact C-N 3.32Å; L178-A180 PolarHBondContact O-N 2.88Å
181G48.6Very low61.4Low39 Ų39103.3 Ų103.340%0.40264%0.64SS.*  trans84.4138.1-178.900000112.4I176 L178 Q179I176-G181 WeakPolarHBondContact CG2-O 3.25Å; L178-G181 PolarHBondContact O-N 3.04Å; Q179-G181 VanDerWaalsContact C-N 3.35Å
182T54.4Low60.3Low86 Ų86104.9 Ų104.953%0.52865%0.647SS.*  trans-79133.7-178.8178.40000111.5K184T182-K184 PolarHBondContact OG1-N 2.88Å
183N55.6Low59Low79 Ų79111 Ų11142%0.42267%0.666SS.*  trans-90.3-3.4170.466.1-7000113.2I176 C185 A186I176-N183 HydrophobicContact CD1-CB 4.26Å; N183-C185 PolarHBondContact O-N 3.47Å; N183-A186 PolarHBondContact O-N 3.33Å
184K53.3Low58.1Low188 Ų188107.5 Ų107.582%0.81767%0.671SS**THydrogen-bonded Turntrans-61-18.4-174.8-69.6-169.6176.8-176.40114.3T182T182-K184 PolarHBondContact OG1-N 2.88Å
185C55.4Low57.4Low119 Ų119107.2 Ų107.280%0.80467%0.669SS**THydrogen-bonded Turntrans-107.82178.7-54.50000113.5N183N183-C185 PolarHBondContact O-N 3.47Å
186A52.5Low56.7Low74 Ų74106.5 Ų106.561%0.61267%0.673SS**  trans-123.6100.3-176.800000110.6N183N183-A186 PolarHBondContact O-N 3.33Å
187S53.3Low55.9Low94 Ų94112.9 Ų112.966%0.65769%0.692SS**  trans-78.7135.7172.1177.20000110.6A189S187-A189 PolarHBondContact O-N 3.09Å; S187-A189 WeakPolarHBondContact OG-CB 3.31Å; S187-A189 PolarHBondContact OG-N 3.3Å
188Q53.8Low55.5Low163 Ų163117.3 Ų117.376%0.76270%0.701SS**  trans-74.7-11.8172.6-168.1174.924.900112.7G190 M191Q188-G190 PolarHBondContact O-N 3.4Å; Q188-G190 VanDerWaalsContact O-N 3.13Å; Q188-M191 HydrophobicContact CG-SD 4.32Å; Q188-M191 PolarHBondContact O-N 2.69Å; Q188-M191 VanDerWaalsContact O-N 3.16Å
189A49.3Very low55Low85 Ų85117.6 Ų117.670%0.70270%0.702SS**THydrogen-bonded Turntrans-60.5118.3-178.800000110.6S187S187-A189 PolarHBondContact O-N 3.09Å; S187-A189 WeakPolarHBondContact OG-CB 3.31Å; S187-A189 PolarHBondContact OG-N 3.3Å
190G55.2Low54.4Low86 Ų86112.4 Ų112.489%0.88768%0.684SS**THydrogen-bonded Turntrans93.14.1179.700000116.1Q188 S192Q188-G190 PolarHBondContact O-N 3.4Å; Q188-G190 VanDerWaalsContact O-N 3.13Å; G190-S192 PolarHBondContact O-N 3.02Å
191M51.9Low53.9Low99 Ų99116 Ų11649%0.48869%0.692SS.*  trans-80.3119.6177.4-64.2-173.479.400112.2Q188 R197Q188-M191 HydrophobicContact CG-SD 4.32Å; Q188-M191 PolarHBondContact O-N 2.69Å; Q188-M191 VanDerWaalsContact O-N 3.16Å; M191-R197 HydrophobicContact CE-CG 4.12Å
192S57.5Low54.2Low102 Ų102119.3 Ų119.371%0.71370%0.7SS**  trans-84.8138.4170.4-174.20000111.1G190 G194 G195G190-S192 PolarHBondContact O-N 3.02Å; S192-G194 PolarHBondContact O-N 2.86Å; S192-G194 VanDerWaalsContact O-N 3.14Å; S192-G195 PolarHBondContact O-N 3.22Å
193H50.6Low53.9Low204 Ų204124.6 Ų124.694%0.94472%0.715SS**THydrogen-bonded Turntrans-61.4114.6-179.5-145.886.8000110
194G58.9Low53.9Low79 Ų79126.3 Ų126.381%0.81473%0.728SS**THydrogen-bonded Turntrans99.50.7-179.900000116.5S192S192-G194 PolarHBondContact O-N 2.86Å; S192-G194 VanDerWaalsContact O-N 3.14Å
195G58.8Low54.3Low45 Ų45124.4 Ų124.446%0.46473%0.727SS.*PPolyproline II helixtrans-73.4142.5174.300000113.5S192S192-G195 PolarHBondContact O-N 3.22Å
196P54.9Low54.3Low118 Ų118123.4 Ų123.477%0.76673%0.727SS**PPolyproline II helixtrans-59136.2173.9-20.530.8000112.2
197R53.3Low54.8Low215 Ų215122.7 Ų122.781%0.81172%0.721SS**PPolyproline II helixtrans-89.7117.8175-64-176.1179.3-139.70.8109.6M191M191-R197 HydrophobicContact CE-CG 4.12Å
198H55.4Low55.3Low135 Ų135121.4 Ų121.463%0.62571%0.712SS**PPolyproline II helixtrans-96.9134.7172.2-79.6-89.6000111T200H198-T200 VanDerWaalsContact C-N 3.33Å
199I58.1Low55.8Low174 Ų174123.2 Ų123.289%0.89272%0.718SS**SBendtrans-77.1-17.1-177.1-171.856.7000113.4
200T46.7Very low56.3Low97 Ų97127 Ų12760%0.59572%0.721SS**SBendtrans-116.9137.1175.944.20000109.9H198 I202H198-T200 VanDerWaalsContact C-N 3.33Å; T200-I202 PolarHBondContact O-N 2.75Å
201D53.5Low56.4Low154 Ų154125.4 Ų125.482%0.82470%0.696SS**  trans-60.896.6172.7-70.7-26.1000109K203D201-K203 VanDerWaalsContact C-N 3.34Å; D201-K203 PolarHBondContact O-N 3.08Å
202I56.3Low56.7Low110 Ų110127.8 Ų127.856%0.56471%0.706SS**  trans-70.2101.7166.6-52.6179.5000105.3T200 V204T200-I202 PolarHBondContact O-N 2.75Å; I202-V204 HydrophobicContact CB-CG2 4.29Å; I202-V204 HydrophobicContact CG2-CG2 3.4Å; I202-V204 VanDerWaalsContact CG2-CG2 3.4Å; I202-V204 PolarHBondContact O-N 3.02Å
203K46.9Very low56.7Low197 Ų197126.1 Ų126.186%0.85770%0.704SS**  trans-68.577.8169.9-61-170.2-174.5-176.60108.6D201D201-K203 VanDerWaalsContact C-N 3.34Å; D201-K203 PolarHBondContact O-N 3.08Å
204V56.1Low56.8Low114 Ų114121.8 Ų121.869%0.69169%0.692SS**PPolyproline II helixtrans-89.4118.9161.6-167.10000105.4I202 A206I202-V204 HydrophobicContact CB-CG2 4.29Å; I202-V204 HydrophobicContact CG2-CG2 3.4Å; I202-V204 VanDerWaalsContact CG2-CG2 3.4Å; I202-V204 PolarHBondContact O-N 3.02Å; V204-A206 PolarHBondContact O-N 2.66Å
205D61.2Low56.3Low148 Ų148123.3 Ų123.379%0.79168%0.681SS**PPolyproline II helixtrans-52.7132.9170.7-68.7-38.6000108.5A207D205-A207 PolarHBondContact O-N 2.81Å; D205-A207 VanDerWaalsContact O-N 3.09Å
206A56.9Low55.4Low98 Ų98123.4 Ų123.481%0.8168%0.682SS**PPolyproline II helixtrans-54.3123.2177.800000108.7V204 S208V204-A206 PolarHBondContact O-N 2.66Å; A206-S208 PolarHBondContact O-N 3.44Å
207A61.9Low54.7Low59 Ų59125.7 Ų125.749%0.48869%0.687SS.*PPolyproline II helixtrans-48.9127.2178.200000109.6D205 S211 Q212D205-A207 PolarHBondContact O-N 2.81Å; D205-A207 VanDerWaalsContact O-N 3.09Å; A207-S211 WeakPolarHBondContact CB-OG 3.33Å; A207-Q212 HydrophobicContact CB-CG 4.31Å
208S63.7Low54Low67 Ų67125 Ų12547%0.46969%0.693SS.*PPolyproline II helixtrans-56.9146.6-179.276.60000109.7A206 E210 S211 Q212A206-S208 PolarHBondContact O-N 3.44Å; S208-E210 PolarHBondContact O-N 3.34Å; S208-S211 PolarHBondContact N-OG 3.48Å; S208-S211 WeakPolarHBondContact O-CA 3.35Å; S208-S211 PolarHBondContact O-N 2.93Å; S208-S211 PolarHBondContact O-OG 2.84Å; S208-S211 WeakPolarHBondContact OG-CB 3.45Å; S208-S211 PolarHBondContact OG-N 2.58Å; S208-S211 VanDerWaalsContact OG-N 3.14Å; S208-S211 PolarHBondContact OG-OG 2.92Å; S208-Q212 PolarHBondContact O-N 2.79Å; S208-Q212 VanDerWaalsContact O-N 3.13Å
209K63.7Low53.3Low202 Ų202126.3 Ų126.388%0.87870%0.701SS**THydrogen-bonded Turntrans-53-31.7178.3-83.9-175.3176.5178.10112.5
210E60.9Low52.4Low165 Ų165120.2 Ų120.277%0.77168%0.68SS**THydrogen-bonded Turntrans-67.9-45173.2-78.4177.4144.900112.3S208 Q212 G213S208-E210 PolarHBondContact O-N 3.34Å; E210-Q212 VanDerWaalsContact C-N 3.28Å; E210-Q212 PolarHBondContact O-N 2.91Å; E210-G213 PolarHBondContact O-N 3.03Å
211S58.1Low52.2Low51 Ų51120.4 Ų120.436%0.35768%0.682SS.*G310 helixtrans-63.1-30.4178.373.10000113.5A207 S208 G213 V214A207-S211 WeakPolarHBondContact CB-OG 3.33Å; S208-S211 PolarHBondContact N-OG 3.48Å; S208-S211 WeakPolarHBondContact O-CA 3.35Å; S208-S211 PolarHBondContact O-N 2.93Å; S208-S211 PolarHBondContact O-OG 2.84Å; S208-S211 WeakPolarHBondContact OG-CB 3.45Å; S208-S211 PolarHBondContact OG-N 2.58Å; S208-S211 VanDerWaalsContact OG-N 3.14Å; S208-S211 PolarHBondContact OG-OG 2.92Å; S211-G213 PolarHBondContact O-N 3.33Å; S211-V214 PolarHBondContact O-N 2.85Å
212Q57.8Low51.7Low150 Ų150119.7 Ų119.770%0.70168%0.678SS**G310 helixtrans-64.4-22.3175.3-68.2-158.71.500112.9A207 S208 E210A207-Q212 HydrophobicContact CB-CG 4.31Å; S208-Q212 PolarHBondContact O-N 2.79Å; S208-Q212 VanDerWaalsContact O-N 3.13Å; E210-Q212 VanDerWaalsContact C-N 3.28Å; E210-Q212 PolarHBondContact O-N 2.91Å
213G57.7Low50.8Low66 Ų66123.9 Ų123.968%0.6869%0.692SS**G310 helixtrans-85.5-13.9173.500000114.3E210 S211 I215E210-G213 PolarHBondContact O-N 3.03Å; S211-G213 PolarHBondContact O-N 3.33Å; G213-I215 PolarHBondContact O-N 3.42Å
214V51.6Low50.8Low114 Ų114118.3 Ų118.369%0.69169%0.69SS**  trans-99.285.7-175.5-175.80000109.5S211 G216S211-V214 PolarHBondContact O-N 2.85Å; V214-G216 PolarHBondContact O-N 3.07Å
215I49.4Very low50.3Low111 Ų111116 Ų11657%0.56968%0.683SS**  trans-78.7105.9171.2-58.6176.1000107.4G213 M219G213-I215 PolarHBondContact O-N 3.42Å; I215-M219 HydrophobicContact CG2-CB 3.49Å; I215-M219 VanDerWaalsContact CG2-CB 3.49Å
216G40Very low49.7Very low47 Ų47113.1 Ų113.149%0.48568%0.675SS.*  trans-54.9146.2179.700000112.3V214 Q218 M219V214-G216 PolarHBondContact O-N 3.07Å; G216-Q218 PolarHBondContact O-N 2.92Å; G216-M219 PolarHBondContact O-N 3.41Å
217L40.2Very low49.2Very low166 Ų166116.8 Ų116.887%0.86968%0.675SS**G310 helixtrans-48.1-25.5-172.2-97.3132.6000115.7M219L217-M219 PolarHBondContact O-N 3.19Å
218Q37.2Very low48.4Very low201 Ų201118.1 Ų118.194%0.93969%0.686SS**G310 helixtrans-67.3-19.9174.3-95.2174.7-36.800114.4G216G216-Q218 PolarHBondContact O-N 2.92Å
219M42.3Very low47.8Very low162 Ų162119 Ų11980%0.79871%0.706SS**G310 helixtrans-105.211.9-178.9-73.5-69.8-81.300114I215 G216 L217I215-M219 HydrophobicContact CG2-CB 3.49Å; I215-M219 VanDerWaalsContact CG2-CB 3.49Å; G216-M219 PolarHBondContact O-N 3.41Å; L217-M219 PolarHBondContact O-N 3.19Å
220G38.3Very low47Very low45 Ų45114.7 Ų114.746%0.46469%0.69SS.*  trans82.2126.2173.300000113.1
221T41.8Very low46.3Very low101 Ų101111.6 Ų111.662%0.6269%0.687SS**  trans-81.3136.6176.4176.50000110.7K223T221-K223 VanDerWaalsContact C-N 3.28Å; T221-K223 PolarHBondContact O-N 3.48Å; T221-K223 PolarHBondContact OG1-N 2.64Å
222N43.5Very low45.8Very low139 Ų139119 Ų11974%0.74372%0.715SS**  trans-87.27-179-145.318.1000113.4G224N222-G224 VanDerWaalsContact C-N 3.33Å; N222-G224 PolarHBondContact O-N 2.99Å
223K38.3Very low45.5Very low198 Ų198115.5 Ų115.586%0.86172%0.719SS**SBendtrans-80.980.1174-69.3-162.6178.7-174.90109.9T221T221-K223 VanDerWaalsContact C-N 3.28Å; T221-K223 PolarHBondContact O-N 3.48Å; T221-K223 PolarHBondContact OG1-N 2.64Å
224G46.7Very low44.9Very low80 Ų80114.4 Ų114.483%0.82571%0.709SS**SBendtrans149.6-9.5167.300000117.5N222N222-G224 VanDerWaalsContact C-N 3.33Å; N222-G224 PolarHBondContact O-N 2.99Å
225A45Very low44.7Very low65 Ų65114.7 Ų114.754%0.53771%0.712SS.*  trans-114.5113.2-176.400000111.7
226S47.8Very low44.6Very low89 Ų89119.8 Ų119.862%0.62273%0.725SS**  trans-71.7134.7171.9175.20000110.6A228 M230S226-A228 PolarHBondContact O-N 3.31Å; S226-A228 WeakPolarHBondContact OG-CB 3.3Å; S226-A228 PolarHBondContact OG-N 3.48Å; S226-M230 WeakPolarHBondContact O-CE 3.26Å
227Q47.3Very low45Very low175 Ų175124.2 Ų124.282%0.81873%0.732SS**  trans-71.9-10.9176.2-171174.63.400113.1G229Q227-G229 PolarHBondContact O-N 3.4Å; Q227-G229 VanDerWaalsContact O-N 3.13Å
228A45.6Very low45.7Very low86 Ų86124.3 Ų124.371%0.71173%0.732SS**THydrogen-bonded Turntrans-63116.2-176.900000111.1S226S226-A228 PolarHBondContact O-N 3.31Å; S226-A228 WeakPolarHBondContact OG-CB 3.3Å; S226-A228 PolarHBondContact OG-N 3.48Å
229G51.3Low46.1Very low86 Ų86119.2 Ų119.289%0.88772%0.715SS**THydrogen-bonded Turntrans95.43171.600000117.1Q227Q227-G229 PolarHBondContact O-N 3.4Å; Q227-G229 VanDerWaalsContact O-N 3.13Å
230M45.6Very low46.2Very low111 Ų111118.8 Ų118.855%0.54772%0.716SS.*PPolyproline II helixtrans-87.3122.6177.4-77.4-170.4-10100112.8S226S226-M230 WeakPolarHBondContact O-CE 3.26Å
231S46.1Very low46.7Very low100 Ų100122 Ų12270%0.69972%0.721SS**PPolyproline II helixtrans-82.3144.4169.262.20000111.6G233 G234S231-G233 PolarHBondContact O-N 2.98Å; S231-G234 PolarHBondContact O-N 3.42Å
232H47.4Very low46.8Very low207 Ų207126.3 Ų126.396%0.95873%0.731SS**THydrogen-bonded Turntrans-52.6120.4-176.9-157.384.1000112.1
233G52.2Low47.2Very low76 Ų76125.2 Ų125.278%0.78473%0.729SS**THydrogen-bonded Turntrans98.70.6174.300000117.3S231S231-G233 PolarHBondContact O-N 2.98Å
234G46Very low48.2Very low44 Ų44122.9 Ų122.945%0.45473%0.726SS.*PPolyproline II helixtrans-70138.8175.100000113.4S231S231-G234 PolarHBondContact O-N 3.42Å
235P46.9Very low48.8Very low119 Ų119123.7 Ų123.777%0.77373%0.725SS**PPolyproline II helixtrans-59.6135172.9-21.932.4000112.2
236R48.1Very low49.5Very low219 Ų219123.7 Ų123.783%0.82673%0.725SS**PPolyproline II helixtrans-92.1119.3177.7-64.8-176.1-113.6-122.31.2109.8
237H47.7Very low50.2Low140 Ų140122.8 Ų122.865%0.64872%0.719SS**PPolyproline II helixtrans-100.3135.6173.5-80.7-89.8000111.2
238I54.1Low51Low167 Ų167123.9 Ų123.986%0.85672%0.721SS**SBendtrans-85.1-12.2-171.572.6116.1000114
239T46.3Very low51.7Low95 Ų95127.9 Ų127.958%0.58373%0.725SS**SBendtrans-131.2136.5175.441.40000108I241T239-I241 PolarHBondContact O-N 3.27Å
240D45Very low51.9Low153 Ų153125.3 Ų125.382%0.81870%0.699SS**  trans-55.9107.9173.9-64.9-34.8000108.5K242D240-K242 VanDerWaalsContact C-N 3.28Å; D240-K242 PolarHBondContact O-N 3.46Å
241I47.2Very low52.5Low111 Ų111127 Ų12757%0.56971%0.705SS**  trans-69.798.9166.8-53179.8000104.9T239 V243T239-I241 PolarHBondContact O-N 3.27Å; I241-V243 HydrophobicContact CB-CG2 4.26Å; I241-V243 HydrophobicContact CG2-CG2 3.38Å; I241-V243 PolarHBondContact O-N 3.38Å
242K44.1Very low52.9Low193 Ų193125.4 Ų125.484%0.83970%0.704SS**  trans-68.480.4169.4-62.1-170.3-172.7-176.20108D240D240-K242 VanDerWaalsContact C-N 3.28Å; D240-K242 PolarHBondContact O-N 3.46Å
243V53.6Low52.8Low116 Ų116121.2 Ų121.270%0.70369%0.693SS**PPolyproline II helixtrans-88.4120.5163.4-168.10000105.7I241 A245I241-V243 HydrophobicContact CB-CG2 4.26Å; I241-V243 HydrophobicContact CG2-CG2 3.38Å; I241-V243 PolarHBondContact O-N 3.38Å; V243-A245 PolarHBondContact O-N 2.9Å
244D58.1Low52.6Low149 Ų149123.5 Ų123.580%0.79769%0.686SS**PPolyproline II helixtrans-54.7136170.2-67.3-39.6000108.7A246D244-A246 PolarHBondContact O-N 2.89Å; D244-A246 VanDerWaalsContact O-N 3.15Å
245A60Low52.4Low97 Ų97123.6 Ų123.680%0.80269%0.687SS**PPolyproline II helixtrans-52.4127178.400000109.2V243 S247V243-A245 PolarHBondContact O-N 2.9Å; A245-S247 PolarHBondContact O-N 3.1Å
246A59.8Low52.2Low64 Ų64125.9 Ų125.953%0.52969%0.692SS.*PPolyproline II helixtrans-49.6130.1178.500000109.8D244 Q251D244-A246 PolarHBondContact O-N 2.89Å; D244-A246 VanDerWaalsContact O-N 3.15Å; A246-Q251 HydrophobicContact CB-CG 4.2Å
247S61.5Low51.8Low70 Ų70125.2 Ų125.249%0.4970%0.698SS.*PPolyproline II helixtrans-55.2147.1177.971.10000109.6A245 E249 G250 Q251A245-S247 PolarHBondContact O-N 3.1Å; S247-E249 PolarHBondContact O-N 3.25Å; S247-G250 WeakPolarHBondContact O-CA 3.12Å; S247-G250 PolarHBondContact O-N 3.18Å; S247-G250 PolarHBondContact OG-N 3.44Å; S247-G250 VanDerWaalsContact OG-N 3.11Å; S247-Q251 PolarHBondContact O-N 3.4Å; S247-Q251 VanDerWaalsContact O-N 3.14Å
248K64Low51.7Low198 Ų198126.4 Ų126.486%0.86171%0.706SS**THydrogen-bonded Turntrans-54.2-29.5178.7-81.3-173.8175.41780112.3
249E59.8Low50.9Low170 Ų170120.7 Ų120.779%0.79469%0.688SS**THydrogen-bonded Turntrans-73.8-36.4174.4-72.3159.3158.500112.6S247 G252S247-E249 PolarHBondContact O-N 3.25Å; E249-G252 PolarHBondContact O-N 3.05Å
250G57Low50.8Low33 Ų33120.2 Ų120.234%0.3469%0.689SS.*G310 helixtrans-71.2-26.4178.200000114.5S247 G252 V253S247-G250 WeakPolarHBondContact O-CA 3.12Å; S247-G250 PolarHBondContact O-N 3.18Å; S247-G250 PolarHBondContact OG-N 3.44Å; S247-G250 VanDerWaalsContact OG-N 3.11Å; G250-G252 PolarHBondContact O-N 2.85Å; G250-G252 VanDerWaalsContact O-N 3.16Å; G250-V253 PolarHBondContact O-N 3.37Å
251Q57.9Low50.9Low147 Ų147119.2 Ų119.269%0.68768%0.683SS**G310 helixtrans-62.2-21.5176.9-69.2-169.60.100113.4A246 S247A246-Q251 HydrophobicContact CB-CG 4.2Å; S247-Q251 PolarHBondContact O-N 3.4Å; S247-Q251 VanDerWaalsContact O-N 3.14Å
252G54Low50.8Low66 Ų66123.6 Ų123.668%0.6870%0.698SS**G310 helixtrans-88.6-10.7178.300000115.3E249 G250 I254E249-G252 PolarHBondContact O-N 3.05Å; G250-G252 PolarHBondContact O-N 2.85Å; G250-G252 VanDerWaalsContact O-N 3.16Å; G252-I254 PolarHBondContact O-N 2.98Å
253V45.5Very low51.2Low118 Ų118118.1 Ų118.172%0.71570%0.696SS**  trans-100.789.4-171.7-173.70000110.5G250 G255G250-V253 PolarHBondContact O-N 3.37Å; V253-G255 PolarHBondContact O-N 2.92Å
254I47.5Very low50.8Low124 Ų124115.9 Ų115.964%0.63669%0.69SS**  trans-84.4108.1173.2-59172000108.5G252G252-I254 PolarHBondContact O-N 2.98Å
255G43.2Very low50.5Low46 Ų46113.3 Ų113.347%0.47468%0.684SS.*  trans-63.9139.6178.700000112.9V253 Q257 M258V253-G255 PolarHBondContact O-N 2.92Å; G255-Q257 PolarHBondContact O-N 3.15Å; G255-M258 PolarHBondContact O-N 2.94Å
256L41.7Very low49.9Very low168 Ų168116.6 Ų116.688%0.8868%0.683SS**G310 helixtrans-50.9-25.6-176.2-89.5150.5000115.2M258 G259L256-M258 VanDerWaalsContact C-N 3.29Å; L256-M258 PolarHBondContact O-N 2.89Å; L256-G259 PolarHBondContact O-N 2.89Å
257Q39.1Very low49.3Very low204 Ų204117.7 Ų117.795%0.95369%0.692SS**G310 helixtrans-70.4-19.8178.5-78172.1-3500114.1G255G255-Q257 PolarHBondContact O-N 3.15Å
258M45.2Very low48.8Very low166 Ų166118.4 Ų118.482%0.81871%0.71SS**G310 helixtrans-92.49.9179.5-84.6-71.4-76.500114.3G255 L256G255-M258 PolarHBondContact O-N 2.94Å; L256-M258 VanDerWaalsContact C-N 3.29Å; L256-M258 PolarHBondContact O-N 2.89Å
259G39.3Very low47.9Very low47 Ų47115 Ų11549%0.48570%0.699SS.*  trans80.3123.817900000111.7L256 N261L256-G259 PolarHBondContact O-N 2.89Å; G259-N261 PolarHBondContact O-N 3.34Å
260S43.9Very low47.2Very low85 Ų85112 Ų11259%0.59470%0.696SS**  trans-69.9121.9176.2176.50000109.9K262S260-K262 PolarHBondContact O-N 3.47Å; S260-K262 WeakPolarHBondContact OG-CB 3.29Å; S260-K262 PolarHBondContact OG-N 3.48Å
261N45.5Very low46.6Very low132 Ų132119.9 Ų119.971%0.70672%0.724SS**  trans-80.916.3175-142.420.6000113G259 G263 A264G259-N261 PolarHBondContact O-N 3.34Å; N261-G263 PolarHBondContact O-N 3Å; N261-G263 VanDerWaalsContact O-N 3.13Å; N261-A264 PolarHBondContact OD1-O 3.49Å
262K46.9Very low46.3Very low202 Ų202116.7 Ų116.788%0.87873%0.73SS**SBendtrans-76.211.3-177.2-73.6-161175.2-1740114.9S260S260-K262 PolarHBondContact O-N 3.47Å; S260-K262 WeakPolarHBondContact OG-CB 3.29Å; S260-K262 PolarHBondContact OG-N 3.48Å
263G51.3Low45.7Very low78 Ų78116.4 Ų116.480%0.80473%0.727SS**SBendtrans-140.9-13.3-17600000117.9N261N261-G263 PolarHBondContact O-N 3Å; N261-G263 VanDerWaalsContact O-N 3.13Å
264A46.4Very low45.9Very low69 Ų69119 Ų11957%0.5773%0.732SS**  trans-133.8112.7-174.600000111.4N261N261-A264 PolarHBondContact OD1-O 3.49Å
265S51Low46Very low96 Ų96123.7 Ų123.767%0.67174%0.741SS**  trans-80135.8174.1176.80000110.6A267S265-A267 PolarHBondContact O-N 2.92Å; S265-A267 WeakPolarHBondContact OG-CB 3.44Å; S265-A267 PolarHBondContact OG-N 3.37Å
266Q48.1Very low46.2Very low166 Ų166127.4 Ų127.478%0.77675%0.746SS**  trans-75.5-8.6174.4-170.7174.34.100113G268 M269Q266-G268 PolarHBondContact O-N 2.87Å; Q266-G268 VanDerWaalsContact O-N 3.12Å; Q266-M269 HydrophobicContact CB-CE 4.39Å; Q266-M269 HydrophobicContact CG-CE 4.26Å
267A46.3Very low46.7Very low87 Ų87128.2 Ų128.272%0.71975%0.749SS**THydrogen-bonded Turntrans-63.2116.5-17700000110.9S265S265-A267 PolarHBondContact O-N 2.92Å; S265-A267 WeakPolarHBondContact OG-CB 3.44Å; S265-A267 PolarHBondContact OG-N 3.37Å
268G52Low47.2Very low84 Ų84122 Ų12287%0.86673%0.733SS**THydrogen-bonded Turntrans100.23.5171.500000117.1Q266 S270Q266-G268 PolarHBondContact O-N 2.87Å; Q266-G268 VanDerWaalsContact O-N 3.12Å; G268-S270 PolarHBondContact O-N 3.47Å
269M44.5Very low47.4Very low128 Ų128121.3 Ų121.363%0.63173%0.732SS**PPolyproline II helixtrans-82.2117.9177.7-75.6-170.2-83.700112.7Q266Q266-M269 HydrophobicContact CB-CE 4.39Å; Q266-M269 HydrophobicContact CG-CE 4.26Å
270S45.7Very low47.9Very low105 Ų105124.6 Ų124.673%0.73474%0.738SS**PPolyproline II helixtrans-83.6147.9171.3-178.50000111.6G268 G272 G273G268-S270 PolarHBondContact O-N 3.47Å; S270-G272 PolarHBondContact O-N 3.36Å; S270-G273 PolarHBondContact O-N 3.03Å
271H43.6Very low48.1Very low200 Ų200129.9 Ų129.993%0.92675%0.75SS**THydrogen-bonded Turntrans-56122.1-178.3-154.976.1000111.1
272G50.7Low48.5Very low79 Ų79129.2 Ų129.281%0.81475%0.75SS**THydrogen-bonded Turntrans98.6-1.3178.400000116.8S270S270-G272 PolarHBondContact O-N 3.36Å
273G42.1Very low48.7Very low60 Ų60122.5 Ų122.562%0.61974%0.738SS**PPolyproline II helixtrans-66.5132.5173.900000112.9S270S270-G273 PolarHBondContact O-N 3.03Å
274Q49.3Very low49.1Very low173 Ų173126.7 Ų126.781%0.80874%0.742SS**PPolyproline II helixtrans-63.5134172.5-97.7175.5-25.400110.9
275R50.5Low49.6Very low223 Ų223129.1 Ų129.184%0.84274%0.744SS**PPolyproline II helixtrans-90.4123.2175.2-71.7-170.6-74.1-103.92.1109.8
276H46.2Very low50.3Low123 Ų123128 Ų12857%0.56974%0.735SS**PPolyproline II helixtrans-102.1133.8175.7-67.8-99.9000110.4A278H276-A278 VanDerWaalsContact C-N 3.33Å
277I53.2Low51.2Low186 Ų186129.2 Ų129.295%0.95474%0.738SS**SBendtrans-76-19.3-174.6-74.9162.3000112.8
278A50.1Low51.8Low73 Ų73133 Ų13360%0.60374%0.741SS**SBendtrans-132.7143.4174.200000109.5H276 I280H276-A278 VanDerWaalsContact C-N 3.33Å; A278-I280 PolarHBondContact O-N 3.08Å; A278-I280 VanDerWaalsContact O-N 3.09Å
279D48.7Very low52.1Low151 Ų151130.3 Ų130.381%0.80771%0.713SS**  trans-58.8111.8179.9-64.8-34.3000110.5K281D279-K281 PolarHBondContact O-N 3.5Å
280I50.7Low52.9Low116 Ų116130.2 Ų130.260%0.59571%0.711SS**  trans-74.597.1167.4-55.4-179.1000106.7A278 V282A278-I280 PolarHBondContact O-N 3.08Å; A278-I280 VanDerWaalsContact O-N 3.09Å; I280-V282 HydrophobicContact CG2-CG2 3.49Å; I280-V282 VanDerWaalsContact CG2-CG2 3.49Å; I280-V282 PolarHBondContact O-N 3.47Å
281K47.7Very low53.2Low196 Ų196128.4 Ų128.485%0.85271%0.709SS**  trans-72.778.2167.8-67.2-171-179.3-176.90109.5D279 G283D279-K281 PolarHBondContact O-N 3.5Å; K281-G283 PolarHBondContact O-N 3.01Å
282V52.8Low53.2Low118 Ų118125.5 Ų125.572%0.71570%0.699SS**  trans-74.6115161.2-171.50000106I280I280-V282 HydrophobicContact CG2-CG2 3.49Å; I280-V282 VanDerWaalsContact CG2-CG2 3.49Å; I280-V282 PolarHBondContact O-N 3.47Å
283G51.6Low53.3Low61 Ų61126.4 Ų126.463%0.62968%0.684SS**PPolyproline II helixtrans-58.9150172.600000110.5K281 M285K281-G283 PolarHBondContact O-N 3.01Å; G283-M285 PolarHBondContact O-N 2.91Å
284D59.8Low53.3Low166 Ų166125.8 Ų125.889%0.88868%0.678SS**PPolyproline II helixtrans-49.5126.9-179.7-67.8-37.1000110.7S286D284-S286 PolarHBondContact O-N 2.91Å
285M57.3Low52.9Low121 Ų121126.1 Ų126.160%0.59668%0.684SS**PPolyproline II helixtrans-53.6128.9172.5176.316059.800109G283 Q290G283-M285 PolarHBondContact O-N 2.91Å; M285-Q290 HydrophobicContact CB-CG 4.49Å; M285-Q290 HydrophobicContact CE-CB 4.36Å; M285-Q290 HydrophobicContact CE-CG 3.7Å; M285-Q290 HydrophobicContact CG-CG 4.04Å; M285-Q290 HydrophobicContact SD-CG 4.47Å
286S65.3Low52.5Low71 Ų71124.8 Ų124.850%0.49769%0.687SS.*PPolyproline II helixtrans-55.4145.5-179.774.20000110.3D284 E288 G289 Q290D284-S286 PolarHBondContact O-N 2.91Å; S286-E288 PolarHBondContact O-N 2.68Å; S286-E288 VanDerWaalsContact O-N 3.09Å; S286-G289 WeakPolarHBondContact O-CA 2.96Å; S286-G289 PolarHBondContact O-N 2.91Å; S286-G289 PolarHBondContact OG-N 3.1Å; S286-G289 VanDerWaalsContact OG-N 3.08Å; S286-Q290 PolarHBondContact O-N 3.18Å; S286-Q290 VanDerWaalsContact O-N 3.08Å
287K66.2Low52.6Low192 Ų192126.7 Ų126.784%0.83570%0.699SS**THydrogen-bonded Turntrans-55.5-29.2178.3-76-172.9176.9179.50112.5
288E60Low52Low168 Ų168120.1 Ų120.179%0.78568%0.676SS**THydrogen-bonded Turntrans-72.4-38.4173.2-72.6169.915500112.4S286 Q290 G291S286-E288 PolarHBondContact O-N 2.68Å; S286-E288 VanDerWaalsContact O-N 3.09Å; E288-Q290 VanDerWaalsContact C-N 3.34Å; E288-Q290 PolarHBondContact O-N 3.35Å; E288-G291 PolarHBondContact O-N 3.07Å
289G59.2Low51.8Low26 Ų26121.3 Ų121.327%0.26868%0.68SS.*G310 helixtrans-68-28.7177.200000114S286 G291 I292S286-G289 WeakPolarHBondContact O-CA 2.96Å; S286-G289 PolarHBondContact O-N 2.91Å; S286-G289 PolarHBondContact OG-N 3.1Å; S286-G289 VanDerWaalsContact OG-N 3.08Å; G289-G291 PolarHBondContact O-N 3.25Å; G289-G291 VanDerWaalsContact O-N 3.12Å; G289-I292 PolarHBondContact O-N 3.39Å
290Q59.5Low51.7Low127 Ų127119.4 Ų119.459%0.59367%0.67SS**G310 helixtrans-59.3-23.5176-72.1-176.9-5.500113.4M285 S286 E288M285-Q290 HydrophobicContact CB-CG 4.49Å; M285-Q290 HydrophobicContact CE-CB 4.36Å; M285-Q290 HydrophobicContact CE-CG 3.7Å; M285-Q290 HydrophobicContact CG-CG 4.04Å; M285-Q290 HydrophobicContact SD-CG 4.47Å; S286-Q290 PolarHBondContact O-N 3.18Å; S286-Q290 VanDerWaalsContact O-N 3.08Å; E288-Q290 VanDerWaalsContact C-N 3.34Å; E288-Q290 PolarHBondContact O-N 3.35Å
291G52.7Low51.3Low67 Ų67123.5 Ų123.569%0.69168%0.684SS**G310 helixtrans-93.1-10.3-179.600000115.8E288 G289E288-G291 PolarHBondContact O-N 3.07Å; G289-G291 PolarHBondContact O-N 3.25Å; G289-G291 VanDerWaalsContact O-N 3.12Å
292I44.2Very low51.5Low139 Ų139116.9 Ų116.971%0.71367%0.671SS**  trans-107.796-173.9-56.8-170.2000110.1G289G289-I292 PolarHBondContact O-N 3.39Å
293I51.4Low51.4Low97 Ų97114.5 Ų114.550%0.49766%0.664SS.*  trans-90115.5167.5-59176.8000107.5M297 N300I293-M297 HydrophobicContact CG2-CB 4.04Å; I293-N300 HydrophobicContact CD1-CB 4.13Å
294G42.4Very low51.4Low48 Ų48116 Ų11650%0.49567%0.665SS.*  trans-59.5147.1-178.500000113Q296 M297G294-Q296 PolarHBondContact O-N 2.84Å; G294-M297 PolarHBondContact O-N 2.94Å
295L41.2Very low51Low180 Ų180116.3 Ų116.394%0.94266%0.661SS**G310 helixtrans-46.6-25.6-177.2-90.4146.7000115.2M297L295-M297 VanDerWaalsContact C-N 3.34Å; L295-M297 PolarHBondContact O-N 3.26Å
296Q43Very low50.8Low195 Ų195114.8 Ų114.891%0.91167%0.668SS**G310 helixtrans-71.9-21.3-179.5-73.1168-32.100114.2G294G294-Q296 PolarHBondContact O-N 2.84Å
297M47.1Very low50.3Low163 Ų163115.5 Ų115.580%0.80369%0.686SS**G310 helixtrans-107.86.9-174.9-83-72.4-8000115.1I293 G294 L295I293-M297 HydrophobicContact CG2-CB 4.04Å; G294-M297 PolarHBondContact O-N 2.94Å; L295-M297 VanDerWaalsContact C-N 3.34Å; L295-M297 PolarHBondContact O-N 3.26Å
298G40.6Very low49.6Very low47 Ų47111.4 Ų111.449%0.48567%0.671SS.*  trans78.1133.3178.800000112.5
299S47.4Very low49Very low99 Ų99108.3 Ų108.369%0.69267%0.668SS**  trans-72.6134.3-177.9178.50000111.6K301S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.49Å; S299-K301 PolarHBondContact OG-N 3.04Å
300N46.4Very low48.5Very low110 Ų110116.8 Ų116.859%0.58870%0.7SS**  trans-839.5170.4179.324.6000112.9I293 G302 A303I293-N300 HydrophobicContact CD1-CB 4.13Å; N300-G302 PolarHBondContact O-N 3.48Å; N300-A303 PolarHBondContact OD1-O 3.48Å
301K41.9Very low48.2Very low202 Ų202114.4 Ų114.488%0.87871%0.71SS**THydrogen-bonded Turntrans-74.183.8169.9-73.2-162177.9-175.80109.5S299S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.49Å; S299-K301 PolarHBondContact OG-N 3.04Å
302G51.8Low48Very low58 Ų58113.6 Ų113.660%0.59870%0.702SS**THydrogen-bonded Turntrans139.13.6164.800000118.9N300N300-G302 PolarHBondContact O-N 3.48Å
303A49.5Very low48.3Very low67 Ų67115 Ų11555%0.55471%0.705SS**  trans-132.9114.5-176.800000112.9N300N300-A303 PolarHBondContact OD1-O 3.48Å
304S53.3Low48.2Very low94 Ų94120.9 Ų120.966%0.65772%0.721SS**  trans-86.4139.4175.9174.90000111.7A306 M308S304-A306 PolarHBondContact OG-N 2.92Å; S304-M308 WeakPolarHBondContact O-CE 3.28Å
305Q51.2Low48.5Very low172 Ų172124.6 Ų124.680%0.80473%0.726SS**  trans-85-8.5177.2-167.6174.48.700113.8G307 M308Q305-G307 PolarHBondContact O-N 2.91Å; Q305-G307 VanDerWaalsContact O-N 3.15Å; Q305-M308 HydrophobicContact CB-CE 4.48Å; Q305-M308 HydrophobicContact CG-CE 4.46Å
306A52.5Low49Very low89 Ų89124.9 Ų124.974%0.73673%0.726SS**THydrogen-bonded Turntrans-62.5119.1-176.300000111.1S304S304-A306 PolarHBondContact OG-N 2.92Å
307G55.5Low49.3Very low86 Ų86119 Ų11989%0.88771%0.711SS**THydrogen-bonded Turntrans93.95.2172.600000117.2Q305Q305-G307 PolarHBondContact O-N 2.91Å; Q305-G307 VanDerWaalsContact O-N 3.15Å
308M51.2Low49.3Very low105 Ų105117.7 Ų117.752%0.51771%0.707SS.*PPolyproline II helixtrans-80.5128.4177.6-74.9-166.4-99.500113.2S304 Q305S304-M308 WeakPolarHBondContact O-CE 3.28Å; Q305-M308 HydrophobicContact CB-CE 4.48Å; Q305-M308 HydrophobicContact CG-CE 4.46Å
309S46.7Very low49.6Very low104 Ų104121.5 Ų121.573%0.72772%0.715SS**PPolyproline II helixtrans-86.1153.8170.8-177.90000111.6G311 G312S309-G311 PolarHBondContact O-N 3.21Å; S309-G312 PolarHBondContact O-N 2.88Å
310H49.7Very low49.5Very low203 Ų203126.1 Ų126.194%0.9472%0.723SS**THydrogen-bonded Turntrans-58.9118-176.9-160.480.1000111.2
311G52.8Low49.7Very low77 Ų77126.8 Ų126.879%0.79473%0.73SS**THydrogen-bonded Turntrans99.30.6179.500000116.3S309S309-G311 PolarHBondContact O-N 3.21Å
312G47.5Very low49.7Very low50 Ų50120 Ų12052%0.51572%0.719SS.*PPolyproline II helixtrans-66.1136.2173.900000113.2S309S309-G312 PolarHBondContact O-N 2.88Å
313Q50.4Low49.8Very low170 Ų170125.4 Ų125.479%0.79473%0.734SS**PPolyproline II helixtrans-69.3139174.2-73.8-179.8-19.100111.3
314R50.1Low49.9Very low220 Ų220128.3 Ų128.383%0.8374%0.737SS**PPolyproline II helixtrans-90122.6178.3-65.2-171.8-66.6-96.22.4110.2
315H48.4Very low50.2Low126 Ų126127.1 Ų127.158%0.58373%0.729SS**PPolyproline II helixtrans-99.6134.6173-68.6-89.1000110.7A317H315-A317 VanDerWaalsContact C-N 3.32Å
316I52.9Low50.6Low185 Ų185128.1 Ų128.195%0.94973%0.73SS**SBendtrans-79.9-11.6-174.3-71.9162.9000112.7
317A48.7Very low50.7Low73 Ų73131.7 Ų131.760%0.60373%0.732SS**SBendtrans-131.7135175.600000109.7H315 I319H315-A317 VanDerWaalsContact C-N 3.32Å; A317-I319 PolarHBondContact O-N 2.91Å
318D47.2Very low50.6Low135 Ų135128.9 Ų128.972%0.72270%0.703SS**  trans-57.1111.4170-67.9-36.1000108.7K320D318-K320 VanDerWaalsContact C-N 3.3Å; D318-K320 PolarHBondContact O-N 3.08Å
319I47.4Very low50.8Low127 Ų127130.3 Ų130.365%0.65171%0.709SS**  trans-68.298166.8-59.7175000105.5A317 V321A317-I319 PolarHBondContact O-N 2.91Å; I319-V321 HydrophobicContact CG2-CG2 3.72Å; I319-V321 PolarHBondContact O-N 2.84Å
320K44Very low50.9Low195 Ų195128.4 Ų128.485%0.84871%0.705SS**  trans-68.385171-68.4-171.2-179.8-176.40108.6D318 G322D318-K320 VanDerWaalsContact C-N 3.3Å; D318-K320 PolarHBondContact O-N 3.08Å; K320-G322 PolarHBondContact O-N 3.25Å
321V50.2Low50.6Low124 Ų124124.2 Ų124.275%0.75269%0.694SS**  trans-76.1113163.7-171.50000105.8I319I319-V321 HydrophobicContact CG2-CG2 3.72Å; I319-V321 PolarHBondContact O-N 2.84Å
322G43.4Very low50.3Low61 Ų61127.2 Ų127.263%0.62969%0.69SS**PPolyproline II helixtrans-60.8159.4173.800000111.2K320 M324K320-G322 PolarHBondContact O-N 3.25Å; G322-M324 PolarHBondContact O-N 2.9Å
323D53.1Low49.8Very low171 Ų171128.4 Ų128.491%0.91469%0.691SS**PPolyproline II helixtrans-51.2128.9178.8-68-38000111S325D323-S325 PolarHBondContact O-N 3.45Å
324M52Low49.5Very low127 Ų127128.9 Ų128.963%0.62670%0.698SS**PPolyproline II helixtrans-58.6129.1176-178.7160.35100109.6G322 Q329G322-M324 PolarHBondContact O-N 2.9Å; M324-Q329 HydrophobicContact CE-CG 4.13Å; M324-Q329 HydrophobicContact CG-CG 4.39Å
325S58.3Low49Very low69 Ų69127.3 Ų127.348%0.48370%0.7SS.*PPolyproline II helixtrans-57.9150.5-179.9730000110.8D323 E327 G328 Q329D323-S325 PolarHBondContact O-N 3.45Å; S325-E327 PolarHBondContact O-N 2.63Å; S325-E327 VanDerWaalsContact O-N 3.11Å; S325-G328 WeakPolarHBondContact O-CA 3.22Å; S325-G328 PolarHBondContact O-N 3.39Å; S325-G328 PolarHBondContact OG-N 3.42Å; S325-G328 VanDerWaalsContact OG-N 3.16Å; S325-Q329 PolarHBondContact O-N 3.01Å
326K61Low48.8Very low193 Ų193128.5 Ų128.584%0.83971%0.707SS**THydrogen-bonded Turntrans-55.4-29.1176.7-78.7-172.1175.8-178.60112.8
327E54.2Low48.3Very low165 Ų165122.8 Ų122.877%0.77169%0.694SS**THydrogen-bonded Turntrans-71.7-38.8173.2-74.7169.3152.500112.2S325 Q329 G330S325-E327 PolarHBondContact O-N 2.63Å; S325-E327 VanDerWaalsContact O-N 3.11Å; E327-Q329 VanDerWaalsContact C-N 3.3Å; E327-Q329 PolarHBondContact O-N 3.48Å; E327-G330 PolarHBondContact O-N 3.38Å
328G54.4Low48.2Very low27 Ų27122 Ų12228%0.27869%0.688SS.*G310 helixtrans-66.5-26.917700000114.1S325 G330 V331S325-G328 WeakPolarHBondContact O-CA 3.22Å; S325-G328 PolarHBondContact O-N 3.39Å; S325-G328 PolarHBondContact OG-N 3.42Å; S325-G328 VanDerWaalsContact OG-N 3.16Å; G328-G330 PolarHBondContact O-N 2.96Å; G328-V331 PolarHBondContact O-N 2.85Å
329Q54.6Low48.2Very low135 Ų135118 Ų11863%0.63168%0.678SS**G310 helixtrans-64.3-22.7175.5-70.4-174.1-0.800113.5M324 S325 E327M324-Q329 HydrophobicContact CE-CG 4.13Å; M324-Q329 HydrophobicContact CG-CG 4.39Å; S325-Q329 PolarHBondContact O-N 3.01Å; E327-Q329 VanDerWaalsContact C-N 3.3Å; E327-Q329 PolarHBondContact O-N 3.48Å
330G47.7Very low48.3Very low64 Ų64121.1 Ų121.166%0.6669%0.687SS**G310 helixtrans-92.9-11.8-178.200000115.2E327 G328 I332E327-G330 PolarHBondContact O-N 3.38Å; G328-G330 PolarHBondContact O-N 2.96Å; G330-I332 PolarHBondContact O-N 3.15Å
331V44.6Very low48.4Very low115 Ų115119.8 Ų119.870%0.69769%0.689SS**  trans-96.889-173.4-174.40000110G328 S333G328-V331 PolarHBondContact O-N 2.85Å; V331-S333 PolarHBondContact O-N 3.35Å
332I45.4Very low48.2Very low139 Ų139121.5 Ų121.571%0.71369%0.689SS**  trans-83.499.8169.4-58.3174.6000107.6G330G330-I332 PolarHBondContact O-N 3.15Å
333S38.8Very low48.5Very low76 Ų76123 Ų12353%0.53169%0.686SS.*  trans-65.2138.6174.3450000111.2V331 Q335 M336V331-S333 PolarHBondContact O-N 3.35Å; S333-Q335 PolarHBondContact O-N 2.86Å; S333-M336 PolarHBondContact O-N 3.46Å; S333-M336 VanDerWaalsContact O-N 3.14Å
334L43.1Very low48.3Very low180 Ų180119 Ų11994%0.94268%0.676SS**THydrogen-bonded Turntrans-45.8-15.1-175.3-104.974.8000116.8
335Q40.5Very low48.4Very low186 Ų186116.7 Ų116.787%0.86967%0.673SS**THydrogen-bonded Turntrans-80.3-22.1-176.4-132.7151.412.300113.5S333S333-Q335 PolarHBondContact O-N 2.86Å
336M43.3Very low48Very low152 Ų152120.2 Ų120.275%0.74968%0.682SS**SBendtrans-94.897.4168.6-74.2-73.3-94.600107.1S333S333-M336 PolarHBondContact O-N 3.46Å; S333-M336 VanDerWaalsContact O-N 3.14Å
337G43.3Very low47.4Very low64 Ų64115.8 Ų115.866%0.6668%0.675SS**  trans-47.9163.4-17200000115.7
338A45.5Very low47.4Very low58 Ų58111.9 Ų111.948%0.47968%0.679SS.*SBendtrans-41.9139.8-17500000113.6Q342A338-Q342 HydrophobicContact CB-CB 3.97Å
339G47.9Very low47.1Very low51 Ų51114.7 Ų114.753%0.52669%0.686SS.*  trans-52.2156.4-174.100000113.5D341 Q342G339-D341 PolarHBondContact O-N 3.42Å; G339-Q342 PolarHBondContact O-N 3.48Å
340K48.1Very low46.9Very low192 Ų192112.8 Ų112.884%0.83569%0.688SS**THydrogen-bonded Turntrans-44.9-24.8-174.2-96.1-179.1172.9178.40115.8V343K340-V343 WeakPolarHBondContact O-CG2 3.31Å
341D47.7Very low46.8Very low167 Ų167120.4 Ų120.489%0.89370%0.703SS**THydrogen-bonded Turntrans-89.6-5.7-177.3-51.9-34.4000113.6G339G339-D341 PolarHBondContact O-N 3.42Å
342Q45.8Very low47.2Very low159 Ų159118.8 Ų118.874%0.74371%0.71SS**SBendtrans-107.12.9176.6-67.1-168.5-7.900113.6A338 G339A338-Q342 HydrophobicContact CB-CB 3.97Å; G339-Q342 PolarHBondContact O-N 3.48Å
343V50.4Low47.4Very low92 Ų92115.1 Ų115.156%0.55870%0.7SS**SBendtrans-99.3118177.5-74.90000110.2K340 S345K340-V343 WeakPolarHBondContact O-CG2 3.31Å; V343-S345 PolarHBondContact O-N 2.99Å
344A48.6Very low48Very low87 Ų87119.8 Ų119.872%0.71971%0.713SS**  trans-56.6113.1175.400000110.7
345S53.6Low48.3Very low79 Ų79119.3 Ų119.355%0.55270%0.699SS**  trans-65.4140.4179.1173.60000111.8V343 S347 M349V343-S345 PolarHBondContact O-N 2.99Å; S345-S347 PolarHBondContact O-N 2.81Å; S345-S347 PolarHBondContact OG-N 2.69Å; S345-S347 PolarHBondContact OG-OG 2.66Å; S345-M349 WeakPolarHBondContact O-CE 3.4Å
346Q50.5Low48.8Very low144 Ų144117 Ų11767%0.67369%0.688SS**  trans-76.8-7176.4-169.9171.77.800113.7G348 M349Q346-G348 PolarHBondContact O-N 3.29Å; Q346-M349 PolarHBondContact O-N 2.81Å
347S48.2Very low49.3Very low99 Ų99117.7 Ų117.769%0.69269%0.693SS**THydrogen-bonded Turntrans-60.3111.5-17957.20000111.2S345S345-S347 PolarHBondContact O-N 2.81Å; S345-S347 PolarHBondContact OG-N 2.69Å; S345-S347 PolarHBondContact OG-OG 2.66Å
348G53.1Low49.2Very low84 Ų84120.2 Ų120.287%0.86670%0.695SS**THydrogen-bonded Turntrans97.81.3173.300000116.6Q346Q346-G348 PolarHBondContact O-N 3.29Å
349M48.8Very low48.6Very low86 Ų86124.6 Ų124.642%0.42471%0.71SS.*  trans-80.1129176.6-73.3-165.3-97.200112.4S345 Q346S345-M349 WeakPolarHBondContact O-CE 3.4Å; Q346-M349 PolarHBondContact O-N 2.81Å
350S51.1Low48.1Very low94 Ų94127.5 Ų127.566%0.65772%0.723SS**  trans-82.6155.3172.875.80000111.9G352 A353S350-G352 PolarHBondContact O-N 3.1Å; S350-G352 VanDerWaalsContact O-N 3.13Å; S350-A353 PolarHBondContact O-N 2.83Å
351F45.2Very low47.5Very low225 Ų225131.3 Ų131.399%0.98774%0.743SS**THydrogen-bonded Turntrans-65.6111.1-173.6-149.4-93000110.8
352G52.8Low47.5Very low81 Ų81129.5 Ų129.584%0.83574%0.735SS**THydrogen-bonded Turntrans116.8-4.3176.400000116.5S350S350-G352 PolarHBondContact O-N 3.1Å; S350-G352 VanDerWaalsContact O-N 3.13Å
353A49Very low47.6Very low61 Ų61127.9 Ų127.950%0.50474%0.735SS.*PPolyproline II helixtrans-73.5134.417600000112.3S350S350-A353 PolarHBondContact O-N 2.83Å
354Q51.9Low47.5Very low175 Ų175129.9 Ų129.982%0.81875%0.745SS**PPolyproline II helixtrans-80.2135.5179.9-170.5173.3-15.500111.1
355R49.7Very low47.4Very low170 Ų170132.5 Ų132.564%0.64275%0.746SS**PPolyproline II helixtrans-82.8127.2-176-60.5176.5-174-113.31.8110.7
356H50Low47Very low136 Ų136135.8 Ų135.863%0.6376%0.759SS**  trans-112.3127.2165.7-91.6-113000109.7V358H356-V358 VanDerWaalsContact C-N 3.27Å; H356-V358 PolarHBondContact O-N 2.91Å
357I55.2Low46.8Very low168 Ų168135.3 Ų135.386%0.86276%0.764SS**SBendtrans-863.6-175.9-69.8171.3000111.8
358V40.1Very low46.7Very low116 Ų116137.9 Ų137.970%0.70377%0.769SS**  trans-140.374.2-172.3-100.80000109.8H356H356-V358 VanDerWaalsContact C-N 3.27Å; H356-V358 PolarHBondContact O-N 2.91Å
359D33.5Very low46.2Very low150 Ų150142 Ų14280%0.80276%0.762SS**  trans-143.776159-83.5-34000107.7
360S37.8Very low46Very low112 Ų112146.7 Ų146.778%0.78379%0.79SS**  trans-154.886162.848.30000108.3
361H35.6Very low45.5Very low272 Ų272151.5 Ų151.5100%1.25980%0.802SS**  trans-108.70148.6-89.1-54.4000108.3

Retrieved 361 of 361 residues in 152.4 ms (Link to these results)

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