A0A087Y6Z9_POEFO Loading...

Complexin 3b

AlphaFold DB , UniProt , Accession A0A087Y6Z9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 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
1M41.6Very low52Low239 Ų239150.3 Ų150.3100%1.17786%0.855SS**  0124.10-65.3-176.9-145.500107.4
2A43.5Very low51.9Low98 Ų98152.6 Ų152.681%0.8185%0.853SS**  trans-70.9129.6-17100000111.8M4A2-M4 PolarHBondContact O-N 3.2Å
3F48Very low52Low213 Ų213152.6 Ų152.693%0.93485%0.849SS**  trans-77.6111.1168-95.1-92.4000108.8
4M58.3Low52.3Low180 Ų180155 Ų15589%0.88785%0.846SS**  trans-70.7132.3178-76.9179.2167.800111.4A2A2-M4 PolarHBondContact O-N 3.2Å
5V57.1Low52.3Low131 Ų131153.7 Ų153.779%0.79484%0.838SS**  trans-37125.71661760000113H7V5-H7 HydrophobicContact CG1-CB 4.47Å
6K51.3Low52.3Low207 Ų207154.3 Ų154.390%0.984%0.839SS**  trans-122.871.5160.4-165166.2-178.4174.60110.3
7H55.1Low52.3Low171 Ų171153.2 Ų153.279%0.79284%0.839SS**  trans-109.7120.1152.3-97.7-70.7000106.5V5V5-H7 HydrophobicContact CG1-CB 4.47Å
8V55.4Low51.5Low127 Ų127148.9 Ų148.977%0.7784%0.836SS**  trans165.688.9136.4-178.70000106.6
9V55.2Low50.9Low146 Ų146144.9 Ų144.989%0.88583%0.831SS**  trans-134.371.9148.4178.10000105.7
10G54.9Low49.8Very low75 Ų75146.3 Ų146.377%0.77383%0.834SS**  trans-113.598.8164.500000107.1
11G51.3Low49.3Very low66 Ų66145.5 Ų145.568%0.6883%0.833SS**SBendtrans177.887.1-178.800000113.4
12Q51.5Low48.9Very low178 Ų178142.3 Ų142.383%0.83282%0.815SS**  trans46.383.1156.8-57.6-169.219.500119.2
13L52.7Low48.4Very low153 Ų153145 Ų14580%0.80181%0.811SS**  trans-99.544.1160.6-85.6165.6000112.1
14K56.4Low48.2Very low186 Ų186143.9 Ų143.981%0.80981%0.806SS**  trans-106.2-2.7-179.1-74.4-169.7178.1-171.70115.8
15N52.6Low46.8Very low136 Ų136140.7 Ų140.773%0.72780%0.801SS**  trans-129.843.6-174.7-65-44000114.2
16L51.7Low46.1Very low162 Ų162144.1 Ų144.185%0.84881%0.808SS**  trans-116.334.2165.2-81163.3000111.3G18L16-G18 PolarHBondContact O-N 3.15Å
17T52.2Low45.6Very low137 Ų137136.9 Ų136.984%0.8479%0.793SS**  trans-83105.1159.9-170.70000107.8
18G37.3Very low44.9Very low76 Ų76138.3 Ų138.378%0.78480%0.8SS**  trans-150.973.8-172.400000111.7L16L16-G18 PolarHBondContact O-N 3.15Å
19G41.5Very low44.4Very low72 Ų72140.3 Ų140.374%0.74280%0.798SS**  trans11.8123.3162.200000121.8
20L29.1Very low44.4Very low172 Ų172136.3 Ų136.390%0.90178%0.776SS**  trans-154104.4139.2-122.9141.7000110
21T37.6Very low44.6Very low131 Ų131138.3 Ų138.380%0.80477%0.769SS**  trans-61.412216122.10000109.8
22E34.7Very low44.9Very low171 Ų171135.3 Ų135.380%0.79974%0.738SS**  175.1142.4111-86.5-145152.700112.1
23E33.4Very low45Very low155 Ų155129.6 Ų129.672%0.72472%0.721SS**  trans66.3103.5147.8-63.5-91116.800120.2
24K42.8Very low45.4Very low190 Ų190126.1 Ų126.183%0.82672%0.715SS**  trans40.7112.3142-76.1177.9174.4171.70119.4
25S30Very low45.6Very low113 Ų113123 Ų12379%0.7970%0.703SS**  -143.799.9122.752.50000109.9G27S25-G27 PolarHBondContact O-N 2.73Å
26E41.7Very low46.2Very low203 Ų203120 Ų12095%0.94970%0.704SS**  trans-56.6117152.6-78.9-178.4144.100107
27G39.7Very low46.8Very low55 Ų55115.7 Ų115.757%0.56768%0.68SS**  trans165.258.7-173.500000108.4S25 K29S25-G27 PolarHBondContact O-N 2.73Å; G27-K29 PolarHBondContact O-N 2.97Å
28E41.9Very low48Very low201 Ų201113 Ų11394%0.93966%0.664SS**  trans-5785.3156.8-71.6180146.300106.6S30E28-S30 PolarHBondContact O-N 3.33Å; E28-S30 VanDerWaalsContact O-N 3.15Å
29K44.3Very low49.9Very low169 Ų169115.5 Ų115.574%0.73566%0.655SS**  trans-60117.1160.9-69178.4-179.8174.20103.9G27 A33G27-K29 PolarHBondContact O-N 2.97Å; K29-A33 HydrophobicContact CB-CB 4.25Å
30S56.2Low51.6Low61 Ų61119 Ų11943%0.42765%0.652SS.*  trans-48.4146.3174.653.30000109.8E28 A32 A33 A34E28-S30 PolarHBondContact O-N 3.33Å; E28-S30 VanDerWaalsContact O-N 3.15Å; S30-A32 PolarHBondContact O-N 3.48Å; S30-A33 WeakPolarHBondContact O-CA 3.33Å; S30-A33 WeakPolarHBondContact O-CB 3.46Å; S30-A33 PolarHBondContact O-N 3.48Å; S30-A34 PolarHBondContact O-N 2.78Å
31D58.9Low54Low118 Ų118115.5 Ų115.563%0.63163%0.631SS**Hα-helixtrans-51.2-30.7178.9-71.8-39000111.7A34 Q35 F42D31-A34 PolarHBondContact O-N 3.25Å; D31-Q35 PolarHBondContact O-N 2.98Å; D31-F42 HydrophobicContact CB-CE1 4.12Å; D31-F42 HydrophobicContact CB-CE2 4.29Å; D31-F42 HydrophobicContact CB-CZ 3.65Å
32A56.2Low56Low3 Ų3110.6 Ų110.63%0.02560%0.599CS.*Hα-helixtrans-56.9-46170.400000114S30 A34 Q35 G36 M37 F42S30-A32 PolarHBondContact O-N 3.48Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-A34 PolarHBondContact O-N 3.11Å; A32-Q35 PolarHBondContact O-N 3.48Å; A32-G36 PolarHBondContact O-N 3.22Å; A32-M37 PolarHBondContact O-N 3.46Å; A32-M37 VanDerWaalsContact O-N 3.12Å; A32-F42 HydrophobicContact CB-CB 3.57Å; A32-F42 HydrophobicContact CB-CD1 4.01Å; A32-F42 HydrophobicContact CB-CD2 4.32Å; A32-F42 HydrophobicContact CB-CG 3.73Å
33A54.9Low58.4Low57 Ų57107 Ų10747%0.47158%0.582SS.*Hα-helixtrans-72.7-25.5178.900000112.8K29 S30K29-A33 HydrophobicContact CB-CB 4.25Å; S30-A33 WeakPolarHBondContact O-CA 3.33Å; S30-A33 WeakPolarHBondContact O-CB 3.46Å; S30-A33 PolarHBondContact O-N 3.48Å
34A59.8Low60.8Low81 Ų81104.7 Ų104.767%0.66957%0.571SS**Hα-helixtrans-72.9-28.3173.800000112.6S30 D31 A32S30-A34 PolarHBondContact O-N 2.78Å; D31-A34 PolarHBondContact O-N 3.25Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-A34 PolarHBondContact O-N 3.11Å
35Q61.2Low62.7Low121 Ų121100.1 Ų100.157%0.56555%0.549SS*.THydrogen-bonded Turntrans-91.5-0.4174.5-103.6156.6-58.600114.4D31 A32 M37D31-Q35 PolarHBondContact O-N 2.98Å; A32-Q35 PolarHBondContact O-N 3.48Å; Q35-M37 PolarHBondContact O-N 3.16Å
36G65.1Low65.3Low72 Ų7298.9 Ų98.974%0.74253%0.531SS*.THydrogen-bonded Turntrans71.416.7178.700000114.4A32A32-G36 PolarHBondContact O-N 3.22Å
37M64.6Low67.5Low71 Ų7194.9 Ų94.935%0.3551%0.512SS..  trans-95.2153.5175-89.1-173.9-156.300111.1A32 Q35 E41A32-M37 PolarHBondContact O-N 3.46Å; A32-M37 VanDerWaalsContact O-N 3.12Å; Q35-M37 PolarHBondContact O-N 3.16Å; M37-E41 HydrophobicContact CB-CB 4.11Å; M37-E41 HydrophobicContact CG-CB 4.01Å; M37-E41 HydrophobicContact SD-CB 3.86Å
38T78.2Confident69.8Low81 Ų8197.9 Ų97.950%0.49751%0.511SS..  trans-66.5152.8162.764.30000109.8E40 E41 F42T38-E40 PolarHBondContact O-N 3.21Å; T38-E41 WeakPolarHBondContact CB-OE2 3.36Å; T38-E41 PolarHBondContact N-OE2 3.1Å; T38-E41 PolarHBondContact O-N 2.88Å; T38-E41 VanDerWaalsContact O-N 3.1Å; T38-E41 WeakPolarHBondContact OG1-CG 3.47Å; T38-E41 PolarHBondContact OG1-OE2 2.71Å; T38-F42 PolarHBondContact O-N 2.87Å; T38-F42 VanDerWaalsContact O-N 3.16Å
39Q75.4Confident72.1Confident129 Ų12992 Ų9260%0.60349%0.486SS*.Hα-helixtrans-57.4-35.9-176.2-173.6173.3-10.400112.4F42 E43Q39-F42 PolarHBondContact O-N 3.4Å; Q39-E43 PolarHBondContact O-N 3.44Å
40E79.1Confident74.4Confident146 Ų14689.5 Ų89.568%0.68248%0.477SS*.Hα-helixtrans-68.5-38.5177.1-64179.5178.200112.7T38 F42 E43 Q44T38-E40 PolarHBondContact O-N 3.21Å; E40-F42 VanDerWaalsContact C-N 3.33Å; E40-E43 PolarHBondContact O-N 3.34Å; E40-Q44 WeakPolarHBondContact O-CG 3.18Å; E40-Q44 PolarHBondContact O-N 3.01Å; E40-Q44 VanDerWaalsContact O-N 3.11Å
41E79.4Confident75.9Confident97 Ų9793 Ų9345%0.45349%0.486SS..Hα-helixtrans-67.1-35.6176.8-72.1166.6143.600111.8M37 T38 Q44 Y45M37-E41 HydrophobicContact CB-CB 4.11Å; M37-E41 HydrophobicContact CG-CB 4.01Å; M37-E41 HydrophobicContact SD-CB 3.86Å; T38-E41 WeakPolarHBondContact CB-OE2 3.36Å; T38-E41 PolarHBondContact N-OE2 3.1Å; T38-E41 PolarHBondContact O-N 2.88Å; T38-E41 VanDerWaalsContact O-N 3.1Å; T38-E41 WeakPolarHBondContact OG1-CG 3.47Å; T38-E41 PolarHBondContact OG1-OE2 2.71Å; E41-Q44 PolarHBondContact O-N 3.34Å; E41-Y45 WeakPolarHBondContact O-CB 3.42Å; E41-Y45 PolarHBondContact O-N 3.2Å
42F77.9Confident77.4Confident29 Ų2992 Ų9213%0.12748%0.478CS..Hα-helixtrans-68.5-40.8177.8-176.2-104000112.2D31 A32 T38 Q39 E40 Y45 Q46D31-F42 HydrophobicContact CB-CE1 4.12Å; D31-F42 HydrophobicContact CB-CE2 4.29Å; D31-F42 HydrophobicContact CB-CZ 3.65Å; A32-F42 HydrophobicContact CB-CB 3.57Å; A32-F42 HydrophobicContact CB-CD1 4.01Å; A32-F42 HydrophobicContact CB-CD2 4.32Å; A32-F42 HydrophobicContact CB-CG 3.73Å; T38-F42 PolarHBondContact O-N 2.87Å; T38-F42 VanDerWaalsContact O-N 3.16Å; Q39-F42 PolarHBondContact O-N 3.4Å; E40-F42 VanDerWaalsContact C-N 3.33Å; F42-Y45 PolarHBondContact O-N 3.22Å; F42-Q46 HydrophobicContact CE1-CG 4.34Å; F42-Q46 VanDerWaalsContact CZ-NE2 3.32Å; F42-Q46 WeakPolarHBondContact O-CG 3.44Å; F42-Q46 PolarHBondContact O-N 3.28Å
43E85.3Confident79.1Confident94 Ų9497.7 Ų97.744%0.43950%0.502SS..Hα-helixtrans-64.2-42174.8-73.7176.8-16800111.7Q39 E40 Y45 Q46 Q47Q39-E43 PolarHBondContact O-N 3.44Å; E40-E43 PolarHBondContact O-N 3.34Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; E43-Y45 PolarHBondContact O-N 3.23Å; E43-Q46 PolarHBondContact O-N 3.45Å; E43-Q47 WeakPolarHBondContact O-CG 3.46Å; E43-Q47 PolarHBondContact O-N 2.99Å
44Q84.3Confident80.7Confident107 Ų107101.1 Ų101.150%0.551%0.509SS..Hα-helixtrans-63.8-39.3174.8-71.7176.822.100112.3E40 E41 Q47 Q48E40-Q44 WeakPolarHBondContact O-CG 3.18Å; E40-Q44 PolarHBondContact O-N 3.01Å; E40-Q44 VanDerWaalsContact O-N 3.11Å; E41-Q44 PolarHBondContact O-N 3.34Å; Q44-Q47 PolarHBondContact O-N 2.92Å; Q44-Q48 WeakPolarHBondContact O-CG 3.36Å; Q44-Q48 PolarHBondContact O-N 3.12Å
45Y83.1Confident81.9Confident95 Ų95103.4 Ų103.437%0.37351%0.505SS..Hα-helixtrans-63.7-42.3176177.1-109.5000112E41 F42 E43 Q48 L49E41-Y45 WeakPolarHBondContact O-CB 3.42Å; E41-Y45 PolarHBondContact O-N 3.2Å; F42-Y45 PolarHBondContact O-N 3.22Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; E43-Y45 PolarHBondContact O-N 3.23Å; Y45-Q48 PolarHBondContact O-N 3.24Å; Y45-L49 HydrophobicContact CD1-CD1 4.14Å; Y45-L49 HydrophobicContact CE1-CD1 3.52Å; Y45-L49 HydrophobicContact CE1-CG 4.22Å; Y45-L49 HydrophobicContact CE2-CD1 4.39Å; Y45-L49 HydrophobicContact CE2-CD2 4.4Å; Y45-L49 HydrophobicContact CE2-CG 4.25Å; Y45-L49 WeakPolarHBondContact O-CG 3.42Å; Y45-L49 PolarHBondContact O-N 3.12Å
46Q84.5Confident83.2Confident87 Ų87104 Ų10441%0.40750%0.502SS..Hα-helixtrans-62.1-44.3174.3-73.3-173.7-1600111.7F42 E43 Q48 L49 E50F42-Q46 HydrophobicContact CE1-CG 4.34Å; F42-Q46 VanDerWaalsContact CZ-NE2 3.32Å; F42-Q46 WeakPolarHBondContact O-CG 3.44Å; F42-Q46 PolarHBondContact O-N 3.28Å; E43-Q46 PolarHBondContact O-N 3.45Å; Q46-Q48 VanDerWaalsContact C-N 3.35Å; Q46-Q48 PolarHBondContact O-N 3.33Å; Q46-L49 PolarHBondContact O-N 3.5Å; Q46-E50 WeakPolarHBondContact O-CG 2.94Å; Q46-E50 PolarHBondContact O-N 3.36Å
47Q88.4Confident84.4Confident118 Ų118105.8 Ų105.855%0.55149%0.492SS*.Hα-helixtrans-59.9-43.7176.1-72.9173.318.500112E43 Q44 L49 E50 E51E43-Q47 WeakPolarHBondContact O-CG 3.46Å; E43-Q47 PolarHBondContact O-N 2.99Å; Q44-Q47 PolarHBondContact O-N 2.92Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; Q47-L49 PolarHBondContact O-N 2.96Å; Q47-E50 PolarHBondContact O-N 3.4Å; Q47-E51 WeakPolarHBondContact O-CB 3.43Å; Q47-E51 PolarHBondContact O-N 3.36Å
48Q87.5Confident85.4Confident118 Ų118105.3 Ų105.355%0.55150%0.499SS*.Hα-helixtrans-61.9-40.5176.3-74.71742100112.5Q44 Y45 Q46 E50 E51 E52Q44-Q48 WeakPolarHBondContact O-CG 3.36Å; Q44-Q48 PolarHBondContact O-N 3.12Å; Y45-Q48 PolarHBondContact O-N 3.24Å; Q46-Q48 VanDerWaalsContact C-N 3.35Å; Q46-Q48 PolarHBondContact O-N 3.33Å; Q48-E50 VanDerWaalsContact C-N 3.33Å; Q48-E51 PolarHBondContact O-N 3.45Å; Q48-E52 WeakPolarHBondContact O-CB 3.44Å; Q48-E52 PolarHBondContact O-N 3.24Å
49L90.6Very high85.7Confident78 Ų78104.5 Ų104.541%0.40849%0.491SS..Hα-helixtrans-64.9-38.7176-73.1180000112.1Y45 Q46 Q47 K53Y45-L49 HydrophobicContact CD1-CD1 4.14Å; Y45-L49 HydrophobicContact CE1-CD1 3.52Å; Y45-L49 HydrophobicContact CE1-CG 4.22Å; Y45-L49 HydrophobicContact CE2-CD1 4.39Å; Y45-L49 HydrophobicContact CE2-CD2 4.4Å; Y45-L49 HydrophobicContact CE2-CG 4.25Å; Y45-L49 WeakPolarHBondContact O-CG 3.42Å; Y45-L49 PolarHBondContact O-N 3.12Å; Q46-L49 PolarHBondContact O-N 3.5Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; Q47-L49 PolarHBondContact O-N 2.96Å; L49-K53 WeakPolarHBondContact O-CB 3.27Å; L49-K53 PolarHBondContact O-N 3.38Å
50E90.9Very high86.4Confident116 Ų116105 Ų10554%0.54249%0.492SS..Hα-helixtrans-67.3-42.3175.7-72.2-179.3179.200111.7Q46 Q47 Q48 K53 Q54Q46-E50 WeakPolarHBondContact O-CG 2.94Å; Q46-E50 PolarHBondContact O-N 3.36Å; Q47-E50 PolarHBondContact O-N 3.4Å; Q48-E50 VanDerWaalsContact C-N 3.33Å; E50-K53 PolarHBondContact O-N 2.88Å; E50-Q54 WeakPolarHBondContact O-CB 3.22Å; E50-Q54 VanDerWaalsContact O-CG 3.27Å; E50-Q54 WeakPolarHBondContact O-CG 3.44Å; E50-Q54 PolarHBondContact O-N 3.13Å
51E89.3Confident86.8Confident134 Ų134100.2 Ų100.263%0.62648%0.477SS*.Hα-helixtrans-64.4-47.8177.1-170.4172.9-166.800111.5Q47 Q48 K53 Q54 E55Q47-E51 WeakPolarHBondContact O-CB 3.43Å; Q47-E51 PolarHBondContact O-N 3.36Å; Q48-E51 PolarHBondContact O-N 3.45Å; E51-K53 VanDerWaalsContact C-N 3.27Å; E51-K53 PolarHBondContact O-N 2.88Å; E51-Q54 PolarHBondContact O-N 2.9Å; E51-Q54 VanDerWaalsContact O-N 3.13Å; E51-E55 PolarHBondContact O-N 3.05Å
52E90Very high87.1Confident97 Ų97100.1 Ų100.145%0.45348%0.477SS..Hα-helixtrans-60.5-39.6176.2-169.1-165.1158.900111.2Q48 R56Q48-E52 WeakPolarHBondContact O-CB 3.44Å; Q48-E52 PolarHBondContact O-N 3.24Å; E52-R56 WeakPolarHBondContact O-CB 3.41Å; E52-R56 PolarHBondContact O-N 3.48Å; E52-R56 IonicContact OE1-CZ 3.7Å; E52-R56 IonicContact OE1-NH2 2.61Å; E52-R56 PolarHBondContact OE1-NH2 3.46Å
53K92.5Very high87.5Confident123 Ų123104.8 Ų104.854%0.53550%0.497SS..Hα-helixtrans-63.5-45.3175.9-178.8-175.6169.1-168.20111L49 E50 E51 R56 E57L49-K53 WeakPolarHBondContact O-CB 3.27Å; L49-K53 PolarHBondContact O-N 3.38Å; E50-K53 PolarHBondContact O-N 2.88Å; E51-K53 VanDerWaalsContact C-N 3.27Å; E51-K53 PolarHBondContact O-N 2.88Å; K53-R56 PolarHBondContact O-N 2.94Å; K53-E57 WeakPolarHBondContact CE-OE1 3.5Å; K53-E57 IonicContact NZ-OE1 3.99Å; K53-E57 WeakPolarHBondContact O-CB 3.29Å; K53-E57 WeakPolarHBondContact O-CG 3.2Å; K53-E57 PolarHBondContact O-N 2.95Å
54Q86.6Confident87.7Confident130 Ų130105.3 Ų105.361%0.60750%0.498SS*.Hα-helixtrans-63-46.6178-74.3176.227.800111.8E50 E51 R56 E57 A58E50-Q54 WeakPolarHBondContact O-CB 3.22Å; E50-Q54 VanDerWaalsContact O-CG 3.27Å; E50-Q54 WeakPolarHBondContact O-CG 3.44Å; E50-Q54 PolarHBondContact O-N 3.13Å; E51-Q54 PolarHBondContact O-N 2.9Å; E51-Q54 VanDerWaalsContact O-N 3.13Å; Q54-R56 VanDerWaalsContact C-N 3.29Å; Q54-R56 PolarHBondContact O-N 3.33Å; Q54-E57 PolarHBondContact O-N 3.37Å; Q54-A58 WeakPolarHBondContact O-CB 3.37Å; Q54-A58 PolarHBondContact O-N 3.04Å
55E86.6Confident87.9Confident128 Ų128100.2 Ų100.260%0.59847%0.474SS*.Hα-helixtrans-60.9-41.3177.9-170.1-171171.400111.3E51 A58 N59E51-E55 PolarHBondContact O-N 3.05Å; E55-A58 PolarHBondContact O-N 3.44Å; E55-N59 WeakPolarHBondContact O-CB 3.37Å; E55-N59 PolarHBondContact O-N 2.85Å; E55-N59 PolarHBondContact O-ND2 2.9Å
56R88.4Confident88Confident134 Ų13498.5 Ų98.551%0.50647%0.47SS..Hα-helixtrans-64.8-46.1176.6-174.4-174.9-63.7164.2-1.1111.4E52 K53 Q54 A58 N59 F60E52-R56 WeakPolarHBondContact O-CB 3.41Å; E52-R56 PolarHBondContact O-N 3.48Å; E52-R56 IonicContact OE1-CZ 3.7Å; E52-R56 IonicContact OE1-NH2 2.61Å; E52-R56 PolarHBondContact OE1-NH2 3.46Å; K53-R56 PolarHBondContact O-N 2.94Å; Q54-R56 VanDerWaalsContact C-N 3.29Å; Q54-R56 PolarHBondContact O-N 3.33Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-A58 PolarHBondContact O-N 3.32Å; R56-N59 PolarHBondContact O-N 3.19Å; R56-F60 HydrophobicContact CG-CD2 3.7Å; R56-F60 HydrophobicContact CG-CE2 3.52Å; R56-F60 WeakPolarHBondContact O-CD2 3.43Å; R56-F60 PolarHBondContact O-N 3.31Å
57E89.1Confident88.3Confident110 Ų110102.7 Ų102.751%0.51448%0.482SS..Hα-helixtrans-61.9-40.5177.7-76.9178.3-173.300111.7K53 Q54 F60 A61K53-E57 WeakPolarHBondContact CE-OE1 3.5Å; K53-E57 IonicContact NZ-OE1 3.99Å; K53-E57 WeakPolarHBondContact O-CB 3.29Å; K53-E57 WeakPolarHBondContact O-CG 3.2Å; K53-E57 PolarHBondContact O-N 2.95Å; Q54-E57 PolarHBondContact O-N 3.37Å; E57-F60 PolarHBondContact O-N 3.28Å; E57-A61 WeakPolarHBondContact O-CB 3.4Å; E57-A61 PolarHBondContact O-N 3.3Å
58A85.4Confident88.4Confident60 Ų6097.1 Ų97.150%0.49646%0.455SS..Hα-helixtrans-61-48.2174.100000111.9Q54 E55 R56 F60 A61 Q62Q54-A58 WeakPolarHBondContact O-CB 3.37Å; Q54-A58 PolarHBondContact O-N 3.04Å; E55-A58 PolarHBondContact O-N 3.44Å; R56-A58 VanDerWaalsContact C-N 3.33Å; R56-A58 PolarHBondContact O-N 3.32Å; A58-F60 VanDerWaalsContact C-N 3.32Å; A58-F60 PolarHBondContact O-N 3.17Å; A58-A61 WeakPolarHBondContact O-CB 3.49Å; A58-A61 PolarHBondContact O-N 3.46Å; A58-Q62 PolarHBondContact O-N 3.19Å
59N85.8Confident88.5Confident65 Ų6592.8 Ų92.835%0.34844%0.437SS..Hα-helixtrans-60.2-40.1175.5-86.5-68.2000112.6E55 R56 K63E55-N59 WeakPolarHBondContact O-CB 3.37Å; E55-N59 PolarHBondContact O-N 2.85Å; E55-N59 PolarHBondContact O-ND2 2.9Å; R56-N59 PolarHBondContact O-N 3.19Å; N59-K63 WeakPolarHBondContact O-CG 3.33Å; N59-K63 PolarHBondContact O-N 2.94Å
60F88.8Confident88.4Confident139 Ų13990.7 Ų90.761%0.6143%0.428SS*.Hα-helixtrans-66.9-41.2175.7-86.8-66.6000112R56 E57 A58 K64R56-F60 HydrophobicContact CG-CD2 3.7Å; R56-F60 HydrophobicContact CG-CE2 3.52Å; R56-F60 WeakPolarHBondContact O-CD2 3.43Å; R56-F60 PolarHBondContact O-N 3.31Å; E57-F60 PolarHBondContact O-N 3.28Å; A58-F60 VanDerWaalsContact C-N 3.32Å; A58-F60 PolarHBondContact O-N 3.17Å; F60-K64 WeakPolarHBondContact O-CB 3.41Å; F60-K64 PolarHBondContact O-N 3.33Å
61A87.7Confident88.5Confident46 Ų4689.1 Ų89.138%0.3842%0.417SS..Hα-helixtrans-60.4-46.9176.300000110.9E57 A58 K64 A65E57-A61 WeakPolarHBondContact O-CB 3.4Å; E57-A61 PolarHBondContact O-N 3.3Å; A58-A61 WeakPolarHBondContact O-CB 3.49Å; A58-A61 PolarHBondContact O-N 3.46Å; A61-K64 PolarHBondContact O-N 3Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 2.89Å
62Q85.6Confident88.5Confident95 Ų9583.8 Ų83.844%0.44439%0.393SS..Hα-helixtrans-59.5-53.3177-171.9177.521.200112A58 K64 A65 E66A58-Q62 PolarHBondContact O-N 3.19Å; Q62-K64 PolarHBondContact O-N 3.38Å; Q62-A65 WeakPolarHBondContact O-CB 3.16Å; Q62-A65 PolarHBondContact O-N 2.91Å; Q62-E66 WeakPolarHBondContact O-CG 3.34Å; Q62-E66 PolarHBondContact O-N 2.61Å
63K87.3Confident88.5Confident126 Ų12682.1 Ų82.155%0.54839%0.385SS..Hα-helixtrans-61.1-32.4178.8-72.5177.9-179.2176.80113N59 R67N59-K63 WeakPolarHBondContact O-CG 3.33Å; N59-K63 PolarHBondContact O-N 2.94Å; K63-R67 WeakPolarHBondContact O-CB 3.19Å; K63-R67 PolarHBondContact O-N 3.01Å; K63-R67 VanDerWaalsContact O-N 3.08Å
64K90.2Very high88.3Confident105 Ų10581.1 Ų81.146%0.45738%0.381SS..Hα-helixtrans-70.1-40.4176.6-169.6177.5-174.1-169.70110.8F60 A61 Q62 R67 A68 Q89F60-K64 WeakPolarHBondContact O-CB 3.41Å; F60-K64 PolarHBondContact O-N 3.33Å; A61-K64 PolarHBondContact O-N 3Å; Q62-K64 PolarHBondContact O-N 3.38Å; K64-R67 PolarHBondContact O-N 3.49Å; K64-A68 WeakPolarHBondContact O-CB 3.49Å; K64-A68 PolarHBondContact O-N 3.46Å; K64-Q89 HydrophobicContact CD-CG 4.25Å; K64-Q89 VanDerWaalsContact CE-CD 3.44Å; K64-Q89 HydrophobicContact CG-CG 4.24Å
65A87.9Confident88.6Confident0 Ų077.6 Ų77.60%036%0.362CS..Hα-helixtrans-67.9-42.517500000112.3A61 Q62 R67 A68 T69 Q89 A93 V97A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 2.89Å; Q62-A65 WeakPolarHBondContact O-CB 3.16Å; Q62-A65 PolarHBondContact O-N 2.91Å; A65-R67 VanDerWaalsContact C-N 3.32Å; A65-R67 PolarHBondContact O-N 3.4Å; A65-A68 WeakPolarHBondContact O-CB 3.26Å; A65-A68 PolarHBondContact O-N 2.97Å; A65-A68 VanDerWaalsContact O-N 3.11Å; A65-T69 PolarHBondContact O-N 2.94Å; A65-T69 PolarHBondContact O-OG1 3.4Å; A65-Q89 WeakPolarHBondContact CB-O 3.39Å; A65-A93 HydrophobicContact CB-CB 3.41Å; A65-A93 VanDerWaalsContact CB-CB 3.41Å; A65-V97 HydrophobicContact CB-CB 4.17Å; A65-V97 HydrophobicContact CB-CG1 3.51Å; A65-V97 HydrophobicContact CB-CG2 3.54Å; A65-V97 WeakPolarHBondContact O-CG1 3.23Å
66E85.8Confident88.8Confident60 Ų6076.7 Ų76.728%0.2836%0.358SS..Hα-helixtrans-56.9-47.3173.1-72.4172.3-171.200110.9Q62 A68 T69 V70 V97Q62-E66 WeakPolarHBondContact O-CG 3.34Å; Q62-E66 PolarHBondContact O-N 2.61Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 3.45Å; E66-T69 WeakPolarHBondContact O-CB 3.41Å; E66-T69 PolarHBondContact O-N 3.26Å; E66-V70 WeakPolarHBondContact O-CG2 3.18Å; E66-V70 PolarHBondContact O-N 3.09Å; E66-V97 HydrophobicContact CG-CG1 4.39Å
67R90.7Very high88.9Confident175 Ų17575.7 Ų75.766%0.6636%0.358SS*.Hα-helixtrans-63-37.7176.3-175.2-175.9-64.6-103.7-1.1112.1K63 K64 A65 R71K63-R67 WeakPolarHBondContact O-CB 3.19Å; K63-R67 PolarHBondContact O-N 3.01Å; K63-R67 VanDerWaalsContact O-N 3.08Å; K64-R67 PolarHBondContact O-N 3.49Å; A65-R67 VanDerWaalsContact C-N 3.32Å; A65-R67 PolarHBondContact O-N 3.4Å; R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.43Å; R67-R71 PolarHBondContact O-N 2.96Å; R67-R71 VanDerWaalsContact O-N 3.15Å; R67-R71 PolarHBondContact O-NE 3.26Å
68A90.5Very high89.2Confident0 Ų077.6 Ų77.60%036%0.361CS..Hα-helixtrans-63.2-45173.900000110.9K64 A65 E66 V70 R71 T72 D86 Q89 I90K64-A68 WeakPolarHBondContact O-CB 3.49Å; K64-A68 PolarHBondContact O-N 3.46Å; A65-A68 WeakPolarHBondContact O-CB 3.26Å; A65-A68 PolarHBondContact O-N 2.97Å; A65-A68 VanDerWaalsContact O-N 3.11Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 3.45Å; A68-V70 PolarHBondContact O-N 3.35Å; A68-R71 PolarHBondContact O-N 3.04Å; A68-R71 VanDerWaalsContact O-N 3.11Å; A68-T72 PolarHBondContact O-N 3.29Å; A68-T72 PolarHBondContact O-OG1 2.85Å; A68-D86 HydrophobicContact CB-CB 4.02Å; A68-Q89 HydrophobicContact CB-CB 3.92Å; A68-I90 HydrophobicContact CB-CD1 4.16Å; A68-I90 HydrophobicContact CB-CG1 3.72Å
69T89.4Confident89.6Confident27 Ų2786 Ų8617%0.16638%0.38CS..Hα-helixtrans-58.7-46.8177.4-52.50000112A65 E66 R71 T72 H73 V97 L99A65-T69 PolarHBondContact O-N 2.94Å; A65-T69 PolarHBondContact O-OG1 3.4Å; E66-T69 WeakPolarHBondContact O-CB 3.41Å; E66-T69 PolarHBondContact O-N 3.26Å; T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 3.25Å; T69-T72 PolarHBondContact O-N 3.04Å; T69-H73 PolarHBondContact O-N 3.11Å; T69-V97 WeakPolarHBondContact OG1-CG1 3.33Å; T69-L99 HydrophobicContact CG2-CD1 3.75Å
70V88.8Confident90Very high35 Ų3587.5 Ų87.521%0.21239%0.387CS..Hα-helixtrans-58.4-44.6175.2171.70000111.3E66 A68 H73 F74 L99 L103E66-V70 WeakPolarHBondContact O-CG2 3.18Å; E66-V70 PolarHBondContact O-N 3.09Å; A68-V70 PolarHBondContact O-N 3.35Å; V70-H73 PolarHBondContact O-N 3.4Å; V70-F74 HydrophobicContact CG1-CD2 3.73Å; V70-F74 HydrophobicContact CG1-CE2 3.52Å; V70-F74 WeakPolarHBondContact O-CD2 3.43Å; V70-F74 PolarHBondContact O-N 2.95Å; V70-F74 VanDerWaalsContact O-N 3.07Å; V70-L99 HydrophobicContact CG2-CD1 3.86Å; V70-L99 HydrophobicContact CG2-CG 4.44Å; V70-L103 HydrophobicContact CG2-CD1 3.95Å
71R91.9Very high90.3Very high82 Ų8286.1 Ų86.131%0.30939%0.392SS..Hα-helixtrans-66.9-36.6178.7-72.2-179.5-66.5167.46.4112.4R67 A68 T69 R75 D86R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.43Å; R67-R71 PolarHBondContact O-N 2.96Å; R67-R71 VanDerWaalsContact O-N 3.15Å; R67-R71 PolarHBondContact O-NE 3.26Å; A68-R71 PolarHBondContact O-N 3.04Å; A68-R71 VanDerWaalsContact O-N 3.11Å; T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 3.25Å; R71-R75 WeakPolarHBondContact O-CG 3.46Å; R71-R75 PolarHBondContact O-N 3.46Å; R71-R75 VanDerWaalsContact O-N 3.1Å; R71-D86 IonicContact CZ-OD1 3.71Å; R71-D86 IonicContact CZ-OD2 2.67Å; R71-D86 IonicContact NE-OD1 3.89Å; R71-D86 IonicContact NE-OD2 3.19Å; R71-D86 IonicContact NH1-OD1 3.41Å; R71-D86 PolarHBondContact NH1-OD1 3.15Å; R71-D86 IonicContact NH2-OD1 3.34Å; R71-D86 PolarHBondContact NH2-OD1 2.98Å
72T90.1Very high90.5Very high22 Ų2290.8 Ų90.814%0.13540%0.404CS..Hα-helixtrans-62.6-46.5173.6-61.80000110.5A68 T69 F74 R75 E76A68-T72 PolarHBondContact O-N 3.29Å; A68-T72 PolarHBondContact O-OG1 2.85Å; T69-T72 PolarHBondContact O-N 3.04Å; T72-F74 PolarHBondContact O-N 3.24Å; T72-R75 WeakPolarHBondContact O-CB 3.37Å; T72-R75 PolarHBondContact O-N 2.89Å; T72-R75 VanDerWaalsContact O-N 3.12Å; T72-E76 WeakPolarHBondContact O-CG 3.44Å; T72-E76 PolarHBondContact O-N 2.86Å
73H88.9Confident90.8Very high62 Ų6288.4 Ų88.429%0.28739%0.394SS..Hα-helixtrans-59.7-44.9178.7-169.864.6000112.8T69 V70 R75 E76 K77T69-H73 PolarHBondContact O-N 3.11Å; V70-H73 PolarHBondContact O-N 3.4Å; H73-R75 VanDerWaalsContact C-N 3.33Å; H73-R75 PolarHBondContact O-N 2.91Å; H73-E76 PolarHBondContact O-N 3.06Å; H73-K77 WeakPolarHBondContact O-CB 3.18Å; H73-K77 PolarHBondContact O-N 3.35Å
74F88.6Confident91Very high102 Ų10290.2 Ų90.245%0.44741%0.405SS..Hα-helixtrans-64.1-37.2175.7-79.7-61.4000113V70 T72 E76 K77 Y78V70-F74 HydrophobicContact CG1-CD2 3.73Å; V70-F74 HydrophobicContact CG1-CE2 3.52Å; V70-F74 WeakPolarHBondContact O-CD2 3.43Å; V70-F74 PolarHBondContact O-N 2.95Å; V70-F74 VanDerWaalsContact O-N 3.07Å; T72-F74 PolarHBondContact O-N 3.24Å; F74-E76 VanDerWaalsContact C-N 3.33Å; F74-K77 PolarHBondContact O-N 3.37Å; F74-Y78 HydrophobicContact CD1-CD2 4.44Å; F74-Y78 AromaticContact CD1-CE2 3.82Å; F74-Y78 HydrophobicContact CD1-CE2 3.82Å; F74-Y78 WeakPolarHBondContact O-CD2 3.5Å; F74-Y78 PolarHBondContact O-N 3.06Å
75R94Very high90.9Very high57 Ų5790.5 Ų90.522%0.21541%0.411CS..Hα-helixtrans-62.7-43.1175.7-76.1178.8172.397.7-5.4111.6R71 T72 H73 Y78 R79 L80 P81 N83 D86R71-R75 WeakPolarHBondContact O-CG 3.46Å; R71-R75 PolarHBondContact O-N 3.46Å; R71-R75 VanDerWaalsContact O-N 3.1Å; T72-R75 WeakPolarHBondContact O-CB 3.37Å; T72-R75 PolarHBondContact O-N 2.89Å; T72-R75 VanDerWaalsContact O-N 3.12Å; H73-R75 VanDerWaalsContact C-N 3.33Å; H73-R75 PolarHBondContact O-N 2.91Å; R75-Y78 CarbonylContact O-C 3.55Å; R75-Y78 PolarHBondContact O-N 3.28Å; R75-R79 CarbonylContact O-C 3.51Å; R75-R79 WeakPolarHBondContact O-CA 3.47Å; R75-R79 PolarHBondContact O-N 3.22Å; R75-L80 HydrophobicContact CB-CB 4.07Å; R75-L80 HydrophobicContact CG-CB 3.98Å; R75-L80 HydrophobicContact CG-CD1 4.41Å; R75-L80 PolarHBondContact O-N 3.18Å; R75-P81 VanDerWaalsContact CD-O 3.23Å; R75-P81 WeakPolarHBondContact CD-O 3.38Å; R75-P81 PolarHBondContact NE-O 3.4Å; R75-N83 PolarHBondContact NH2-ND2 3.22Å; R75-D86 IonicContact CZ-OD2 2.67Å; R75-D86 IonicContact NH1-OD2 2.94Å; R75-D86 PolarHBondContact NH1-OD2 3.2Å; R75-D86 IonicContact NH2-OD2 3.84Å; R75-D86 PolarHBondContact NH2-OD2 2.96Å
76E90.3Very high90.9Very high108 Ų10890.6 Ų90.651%0.50541%0.411SS..Hα-helixtrans-63.3-47.3175.8-68.5178.1167.600111.4T72 H73 F74 Y78 R79T72-E76 WeakPolarHBondContact O-CG 3.44Å; T72-E76 PolarHBondContact O-N 2.86Å; H73-E76 PolarHBondContact O-N 3.06Å; F74-E76 VanDerWaalsContact C-N 3.33Å; E76-Y78 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 3.46Å; E76-R79 PolarHBondContact O-N 2.88Å; E76-R79 VanDerWaalsContact O-N 3.13Å
77K90.9Very high90.9Very high114 Ų11490.8 Ų90.850%0.49641%0.412SS..Hα-helixtrans-55.2-42.2178.6-174.7171.8-176.5171.50112.5H73 F74H73-K77 WeakPolarHBondContact O-CB 3.18Å; H73-K77 PolarHBondContact O-N 3.35Å; F74-K77 PolarHBondContact O-N 3.37Å
78Y94.5Very high90.8Very high149 Ų14985.1 Ų85.158%0.58440%0.397SS*.THydrogen-bonded Turntrans-10010.8-178.4-61.4-66.7000114.2F74 R75 E76 L80F74-Y78 HydrophobicContact CD1-CD2 4.44Å; F74-Y78 AromaticContact CD1-CE2 3.82Å; F74-Y78 HydrophobicContact CD1-CE2 3.82Å; F74-Y78 WeakPolarHBondContact O-CD2 3.5Å; F74-Y78 PolarHBondContact O-N 3.06Å; R75-Y78 CarbonylContact O-C 3.55Å; R75-Y78 PolarHBondContact O-N 3.28Å; E76-Y78 VanDerWaalsContact C-N 3.28Å; E76-Y78 PolarHBondContact O-N 3.46Å; Y78-L80 PolarHBondContact O-N 3.12Å
79R93Very high90.6Very high237 Ų23786.6 Ų86.689%0.89440%0.404SS*.THydrogen-bonded Turntrans53.137.2-178.9-54.3-179.7-179.7-179-0.4113.7R75 E76R75-R79 CarbonylContact O-C 3.51Å; R75-R79 WeakPolarHBondContact O-CA 3.47Å; R75-R79 PolarHBondContact O-N 3.22Å; E76-R79 PolarHBondContact O-N 2.88Å; E76-R79 VanDerWaalsContact O-N 3.13Å
80L94.8Very high90.4Very high97 Ų9787 Ų8751%0.50841%0.405SS..PPolyproline II helixtrans-81.8153.3175.8-61.7172000110.7R75 Y78R75-L80 HydrophobicContact CB-CB 4.07Å; R75-L80 HydrophobicContact CG-CB 3.98Å; R75-L80 HydrophobicContact CG-CD1 4.41Å; R75-L80 PolarHBondContact O-N 3.18Å; Y78-L80 PolarHBondContact O-N 3.12Å
81P95.2Very high90.2Very high110 Ų11091.9 Ų91.971%0.71443%0.425SS*.PPolyproline II helixtrans-57.7139.6175.3-24.334.2000112.5R75R75-P81 VanDerWaalsContact CD-O 3.23Å; R75-P81 WeakPolarHBondContact CD-O 3.38Å; R75-P81 PolarHBondContact NE-O 3.4Å
82K92.2Very high89.7Confident143 Ų14395.3 Ų95.362%0.62245%0.445SS*.PPolyproline II helixtrans-64.4155175.7-65.4-166.4172.4-156.60111.5
83N91.6Very high89.1Confident45 Ų4596 Ų9624%0.24145%0.453CS..  trans-121.8114.9178.1179.715.8000110.1R75 L85 D86 E87R75-N83 PolarHBondContact NH2-ND2 3.22Å; N83-L85 PolarHBondContact O-N 3.11Å; N83-L85 PolarHBondContact OD1-N 3.43Å; N83-D86 HydrophobicContact CB-CB 4.39Å; N83-D86 WeakPolarHBondContact CB-OD2 3.48Å; N83-D86 PolarHBondContact ND2-OD1 2.87Å; N83-D86 PolarHBondContact ND2-OD2 2.67Å; N83-D86 PolarHBondContact O-N 3.34Å; N83-E87 PolarHBondContact O-N 3.01Å
84E90.7Very high88.2Confident164 Ų16494.8 Ų94.877%0.76646%0.457SS*.Hα-helixtrans-62-29.3-177.9-59.2-174.4158.300112.8D86 E87 T88E84-D86 PolarHBondContact O-N 3.39Å; E84-E87 PolarHBondContact O-N 2.67Å; E84-T88 WeakPolarHBondContact O-CG2 3.35Å; E84-T88 PolarHBondContact O-N 3.42Å; E84-T88 PolarHBondContact O-OG1 3.19Å; E84-T88 VanDerWaalsContact O-OG1 3.09Å
85L89.1Confident86.8Confident112 Ų11298.4 Ų98.459%0.58648%0.481SS*.Hα-helixtrans-67.2-27.6176.5-64.1179.7000112.8N83 T88 Q89N83-L85 PolarHBondContact O-N 3.11Å; N83-L85 PolarHBondContact OD1-N 3.43Å; L85-T88 WeakPolarHBondContact CA-OG1 3.49Å; L85-T88 PolarHBondContact O-OG1 2.95Å; L85-Q89 VanDerWaalsContact O-CD 3.27Å; L85-Q89 WeakPolarHBondContact O-CG 3.49Å; L85-Q89 PolarHBondContact O-N 3.22Å; L85-Q89 PolarHBondContact O-NE2 2.94Å
86D87.4Confident85.2Confident1 Ų1102.4 Ų102.41%0.00551%0.506CS..Hα-helixtrans-80.6-39.9178.8-62.9-24000109.8A68 R71 R75 N83 E84 T88 Q89 I90A68-D86 HydrophobicContact CB-CB 4.02Å; R71-D86 IonicContact CZ-OD1 3.71Å; R71-D86 IonicContact CZ-OD2 2.67Å; R71-D86 IonicContact NE-OD1 3.89Å; R71-D86 IonicContact NE-OD2 3.19Å; R71-D86 IonicContact NH1-OD1 3.41Å; R71-D86 PolarHBondContact NH1-OD1 3.15Å; R71-D86 IonicContact NH2-OD1 3.34Å; R71-D86 PolarHBondContact NH2-OD1 2.98Å; R75-D86 IonicContact CZ-OD2 2.67Å; R75-D86 IonicContact NH1-OD2 2.94Å; R75-D86 PolarHBondContact NH1-OD2 3.2Å; R75-D86 IonicContact NH2-OD2 3.84Å; R75-D86 PolarHBondContact NH2-OD2 2.96Å; N83-D86 HydrophobicContact CB-CB 4.39Å; N83-D86 WeakPolarHBondContact CB-OD2 3.48Å; N83-D86 PolarHBondContact ND2-OD1 2.87Å; N83-D86 PolarHBondContact ND2-OD2 2.67Å; N83-D86 PolarHBondContact O-N 3.34Å; E84-D86 PolarHBondContact O-N 3.39Å; D86-T88 PolarHBondContact O-N 3.4Å; D86-Q89 PolarHBondContact O-N 3.04Å; D86-I90 WeakPolarHBondContact O-CD1 3.44Å; D86-I90 VanDerWaalsContact O-CG1 3.26Å; D86-I90 WeakPolarHBondContact O-CG1 3.4Å; D86-I90 PolarHBondContact O-N 3.43Å
87E86.9Confident83.9Confident65 Ų6598.1 Ų98.130%0.30449%0.488SS..Hα-helixtrans-56.9-47.1171.9-65.8-72.117000111.8N83 E84 Q89 I90 Q91N83-E87 PolarHBondContact O-N 3.01Å; E84-E87 PolarHBondContact O-N 2.67Å; E87-Q89 PolarHBondContact O-N 3.42Å; E87-I90 PolarHBondContact O-N 3.08Å; E87-Q91 VanDerWaalsContact O-CG 3.29Å; E87-Q91 WeakPolarHBondContact O-CG 3.41Å; E87-Q91 PolarHBondContact O-N 3.13Å
88T87.9Confident82.7Confident56 Ų5697.5 Ų97.534%0.34449%0.493SS..Hα-helixtrans-64.4-36.9177.850.10000113.1E84 L85 D86 I90 Q91 Q92E84-T88 WeakPolarHBondContact O-CG2 3.35Å; E84-T88 PolarHBondContact O-N 3.42Å; E84-T88 PolarHBondContact O-OG1 3.19Å; E84-T88 VanDerWaalsContact O-OG1 3.09Å; L85-T88 WeakPolarHBondContact CA-OG1 3.49Å; L85-T88 PolarHBondContact O-OG1 2.95Å; D86-T88 PolarHBondContact O-N 3.4Å; T88-I90 VanDerWaalsContact C-N 3.35Å; T88-Q91 PolarHBondContact O-N 3.34Å; T88-Q92 WeakPolarHBondContact O-CB 3.46Å; T88-Q92 WeakPolarHBondContact O-CG 3.44Å; T88-Q92 PolarHBondContact O-N 2.8Å
89Q86.6Confident81.5Confident30 Ų3091.7 Ų91.714%0.1447%0.472CS..Hα-helixtrans-68.2-34.8176.4-75.6166.332.500112.5K64 A65 A68 L85 D86 E87K64-Q89 HydrophobicContact CD-CG 4.25Å; K64-Q89 VanDerWaalsContact CE-CD 3.44Å; K64-Q89 HydrophobicContact CG-CG 4.24Å; A65-Q89 WeakPolarHBondContact CB-O 3.39Å; A68-Q89 HydrophobicContact CB-CB 3.92Å; L85-Q89 VanDerWaalsContact O-CD 3.27Å; L85-Q89 WeakPolarHBondContact O-CG 3.49Å; L85-Q89 PolarHBondContact O-N 3.22Å; L85-Q89 PolarHBondContact O-NE2 2.94Å; D86-Q89 PolarHBondContact O-N 3.04Å; E87-Q89 PolarHBondContact O-N 3.42Å
90I84.8Confident80.7Confident37 Ų3782.5 Ų82.519%0.1944%0.443CS..Hα-helixtrans-67.8-49.6174.4-64.5163.8000109.3A68 D86 E87 T88 Q92 A93 G94A68-I90 HydrophobicContact CB-CD1 4.16Å; A68-I90 HydrophobicContact CB-CG1 3.72Å; D86-I90 WeakPolarHBondContact O-CD1 3.44Å; D86-I90 VanDerWaalsContact O-CG1 3.26Å; D86-I90 WeakPolarHBondContact O-CG1 3.4Å; D86-I90 PolarHBondContact O-N 3.43Å; E87-I90 PolarHBondContact O-N 3.08Å; T88-I90 VanDerWaalsContact C-N 3.35Å; I90-Q92 VanDerWaalsContact C-N 3.31Å; I90-Q92 PolarHBondContact O-N 3.44Å; I90-A93 PolarHBondContact O-N 2.91Å; I90-G94 PolarHBondContact O-N 3.41Å
91Q84.3Confident79.7Confident137 Ų13783.8 Ų83.864%0.6446%0.455SS*.Hα-helixtrans-60.9-36.1179.2-70.8171.16.800113.4E87 T88 A93 G94E87-Q91 VanDerWaalsContact O-CG 3.29Å; E87-Q91 WeakPolarHBondContact O-CG 3.41Å; E87-Q91 PolarHBondContact O-N 3.13Å; T88-Q91 PolarHBondContact O-N 3.34Å; Q91-A93 VanDerWaalsContact C-N 3.26Å; Q91-A93 PolarHBondContact O-N 2.9Å; Q91-G94 PolarHBondContact O-N 3.24Å; Q91-G94 VanDerWaalsContact O-N 3.12Å
92Q82.3Confident78.7Confident153 Ų15386.1 Ų86.172%0.71546%0.457SS*.Hα-helixtrans-64.1-28.2178.5-82.5173.6100113.7T88 I90T88-Q92 WeakPolarHBondContact O-CB 3.46Å; T88-Q92 WeakPolarHBondContact O-CG 3.44Å; T88-Q92 PolarHBondContact O-N 2.8Å; I90-Q92 VanDerWaalsContact C-N 3.31Å; I90-Q92 PolarHBondContact O-N 3.44Å
93A76.3Confident77.9Confident38 Ų3882.6 Ų82.631%0.31444%0.444SS..THydrogen-bonded Turntrans-92.30.6176.600000112.8A65 I90 Q91 V97A65-A93 HydrophobicContact CB-CB 3.41Å; A65-A93 VanDerWaalsContact CB-CB 3.41Å; I90-A93 PolarHBondContact O-N 2.91Å; Q91-A93 VanDerWaalsContact C-N 3.26Å; Q91-A93 PolarHBondContact O-N 2.9Å; A93-V97 HydrophobicContact CB-CG2 3.39Å
94G70.4Confident77.3Confident35 Ų3582.3 Ų82.336%0.36145%0.448SS..  trans78.8-166.6179.700000114.1I90 Q91 D96I90-G94 PolarHBondContact O-N 3.41Å; Q91-G94 PolarHBondContact O-N 3.24Å; Q91-G94 VanDerWaalsContact O-N 3.12Å; G94-D96 PolarHBondContact O-N 2.93Å
95D59.1Low77Confident178 Ų17880.8 Ų80.895%0.95244%0.439SS*.THydrogen-bonded Turntrans-75.9-4.6-176-82.7-22.7000114.4V97D95-V97 VanDerWaalsContact C-N 3.35Å; D95-V97 PolarHBondContact O-N 3.39Å
96D60.9Low76.6Confident141 Ų14180.2 Ų80.275%0.75444%0.435SS*.THydrogen-bonded Turntrans-97.219-170.9-140.611.9000113.6G94 V98G94-D96 PolarHBondContact O-N 2.93Å; D96-V98 PolarHBondContact O-N 3.13Å
97V63.7Low76.3Confident18 Ų1882.3 Ų82.311%0.10945%0.445CS..  trans-90.779.1178.4-171.50000109A65 E66 T69 A93 D95A65-V97 HydrophobicContact CB-CB 4.17Å; A65-V97 HydrophobicContact CB-CG1 3.51Å; A65-V97 HydrophobicContact CB-CG2 3.54Å; A65-V97 WeakPolarHBondContact O-CG1 3.23Å; E66-V97 HydrophobicContact CG-CG1 4.39Å; T69-V97 WeakPolarHBondContact OG1-CG1 3.33Å; A93-V97 HydrophobicContact CB-CG2 3.39Å; D95-V97 VanDerWaalsContact C-N 3.35Å; D95-V97 PolarHBondContact O-N 3.39Å
98V66.3Low75.9Confident101 Ų10181.4 Ų81.461%0.61245%0.449SS*.PPolyproline II helixtrans-83.2142.7176.1-169.80000109.5D96D96-V98 PolarHBondContact O-N 3.13Å
99L67.9Low75.6Confident28 Ų2883.2 Ų83.215%0.14745%0.454CS..PPolyproline II helixtrans-55.6133.9170.9-154.294.3000108.9T69 V70 T101 L103 A104 I107T69-L99 HydrophobicContact CG2-CD1 3.75Å; V70-L99 HydrophobicContact CG2-CD1 3.86Å; V70-L99 HydrophobicContact CG2-CG 4.44Å; L99-T101 PolarHBondContact O-N 3.3Å; L99-L103 HydrophobicContact CD2-CB 3.88Å; L99-L103 HydrophobicContact CG-CB 4.45Å; L99-A104 HydrophobicContact CD2-CB 4.4Å; L99-I107 HydrophobicContact CD2-CD1 3.37Å
100P76.9Confident75.4Confident43 Ų4385.7 Ų85.728%0.27947%0.468SS..PPolyproline II helixtrans-48.6135.1-178.6-31.935.2000112.8E102 L103 A104P100-E102 VanDerWaalsContact C-N 3.27Å; P100-E102 PolarHBondContact O-N 2.94Å; P100-E102 VanDerWaalsContact O-N 3.13Å; P100-L103 HydrophobicContact CB-CD1 4.15Å; P100-L103 HydrophobicContact CB-CG 4.3Å; P100-L103 HydrophobicContact CG-CD1 4.1Å; P100-L103 WeakPolarHBondContact O-CA 3.21Å; P100-L103 WeakPolarHBondContact O-CB 3.31Å; P100-L103 PolarHBondContact O-N 3.27Å; P100-A104 PolarHBondContact O-N 3.49Å
101T73.1Confident75.2Confident125 Ų12588.7 Ų88.777%0.76748%0.484SS*.Hα-helixtrans-55.7-38.8-166.5-33.40000113.4L99 A104 K105L99-T101 PolarHBondContact O-N 3.3Å; T101-A104 PolarHBondContact O-N 3.1Å; T101-K105 WeakPolarHBondContact O-CB 3.48Å; T101-K105 PolarHBondContact O-N 3.05Å
102E75.3Confident74.8Confident159 Ų15988.9 Ų88.974%0.74349%0.485SS*.Hα-helixtrans-66.1-40.9176.5-64.9-167.3171.100112.4P100 K105 M106P100-E102 VanDerWaalsContact C-N 3.27Å; P100-E102 PolarHBondContact O-N 2.94Å; P100-E102 VanDerWaalsContact O-N 3.13Å; E102-K105 PolarHBondContact O-N 3.07Å; E102-M106 WeakPolarHBondContact O-CG 3.21Å; E102-M106 PolarHBondContact O-N 3.09Å
103L74.8Confident74.5Confident68 Ų6886.8 Ų86.836%0.35648%0.476SS..Hα-helixtrans-67.2-42.2175.9-63.7178.7000110.7V70 L99 P100 K105 M106 I107V70-L103 HydrophobicContact CG2-CD1 3.95Å; L99-L103 HydrophobicContact CD2-CB 3.88Å; L99-L103 HydrophobicContact CG-CB 4.45Å; P100-L103 HydrophobicContact CB-CD1 4.15Å; P100-L103 HydrophobicContact CB-CG 4.3Å; P100-L103 HydrophobicContact CG-CD1 4.1Å; P100-L103 WeakPolarHBondContact O-CA 3.21Å; P100-L103 WeakPolarHBondContact O-CB 3.31Å; P100-L103 PolarHBondContact O-N 3.27Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 3.22Å; L103-M106 HydrophobicContact CD2-CE 3.55Å; L103-M106 PolarHBondContact O-N 3.42Å; L103-I107 WeakPolarHBondContact O-CD1 3.4Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 PolarHBondContact O-N 3.12Å
104A78.2Confident74.3Confident40 Ų4089.2 Ų89.233%0.33148%0.48SS..Hα-helixtrans-60.6-40.5176.800000111.4L99 P100 T101 A108L99-A104 HydrophobicContact CD2-CB 4.4Å; P100-A104 PolarHBondContact O-N 3.49Å; T101-A104 PolarHBondContact O-N 3.1Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.44Å
105K84.7Confident74.4Confident131 Ų13190.2 Ų90.257%0.5749%0.485SS*.Hα-helixtrans-64.5-49175.7-176.5177.4170.6-1770112.2T101 E102 L103 I107 A108 E109T101-K105 WeakPolarHBondContact O-CB 3.48Å; T101-K105 PolarHBondContact O-N 3.05Å; E102-K105 PolarHBondContact O-N 3.07Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 3.22Å; K105-I107 VanDerWaalsContact C-N 3.3Å; K105-I107 PolarHBondContact O-N 3.44Å; K105-A108 PolarHBondContact O-N 3.14Å; K105-A108 VanDerWaalsContact O-N 3.14Å; K105-E109 WeakPolarHBondContact CE-OE1 3.32Å; K105-E109 IonicContact NZ-OE1 2.82Å; K105-E109 WeakPolarHBondContact O-CG 3.29Å; K105-E109 PolarHBondContact O-N 2.94Å
106M80.4Confident74.9Confident101 Ų10187.6 Ų87.650%0.49847%0.467SS..Hα-helixtrans-60.2-39.5177.8-73.4-173.5-68.500112.1E102 L103 E109 D110E102-M106 WeakPolarHBondContact O-CG 3.21Å; E102-M106 PolarHBondContact O-N 3.09Å; L103-M106 HydrophobicContact CD2-CE 3.55Å; L103-M106 PolarHBondContact O-N 3.42Å; M106-E109 PolarHBondContact O-N 3.36Å; M106-D110 WeakPolarHBondContact O-CB 3.47Å; M106-D110 PolarHBondContact O-N 3Å
107I81.1Confident75.4Confident44 Ų4485 Ų8523%0.22645%0.449CS..Hα-helixtrans-65.1-40.5176-69160.2000111.4L99 L103 K105 N111L99-I107 HydrophobicContact CD2-CD1 3.37Å; L103-I107 WeakPolarHBondContact O-CD1 3.4Å; L103-I107 VanDerWaalsContact O-CG1 3.29Å; L103-I107 WeakPolarHBondContact O-CG1 3.29Å; L103-I107 PolarHBondContact O-N 3.12Å; K105-I107 VanDerWaalsContact C-N 3.3Å; K105-I107 PolarHBondContact O-N 3.44Å; I107-N111 WeakPolarHBondContact CG2-ND2 3.49Å; I107-N111 VanDerWaalsContact O-CB 3.29Å; I107-N111 WeakPolarHBondContact O-CB 3.46Å; I107-N111 VanDerWaalsContact O-CG 3.24Å; I107-N111 PolarHBondContact O-N 2.99Å; I107-N111 PolarHBondContact O-ND2 3.02Å
108A79.3Confident75.9Confident47 Ų4790.9 Ų90.939%0.38848%0.475SS..Hα-helixtrans-64.4-42.917800000111.7A104 K105 Q112A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 3.44Å; K105-A108 PolarHBondContact O-N 3.14Å; K105-A108 VanDerWaalsContact O-N 3.14Å; A108-Q112 WeakPolarHBondContact O-CG 3.37Å; A108-Q112 PolarHBondContact O-N 2.83Å; A108-Q112 VanDerWaalsContact O-N 3.09Å
109E81.8Confident76.3Confident93 Ų9388.9 Ų88.944%0.43547%0.466SS..Hα-helixtrans-63.9-50.2175.9-69.9172.4179.300111.3K105 M106 N111 Q112 E113K105-E109 WeakPolarHBondContact CE-OE1 3.32Å; K105-E109 IonicContact NZ-OE1 2.82Å; K105-E109 WeakPolarHBondContact O-CG 3.29Å; K105-E109 PolarHBondContact O-N 2.94Å; M106-E109 PolarHBondContact O-N 3.36Å; E109-N111 VanDerWaalsContact C-N 3.33Å; E109-N111 PolarHBondContact O-N 3.35Å; E109-Q112 WeakPolarHBondContact O-CB 2.86Å; E109-Q112 PolarHBondContact O-N 3.48Å; E109-Q112 VanDerWaalsContact O-N 3.12Å; E109-E113 PolarHBondContact O-N 2.95Å
110D82Confident76.7Confident83 Ų8392.4 Ų92.444%0.44449%0.488SS..Hα-helixtrans-56.2-45.2175.7-93.713.7000111.8M106 Q112 E113 E114M106-D110 WeakPolarHBondContact O-CB 3.47Å; M106-D110 PolarHBondContact O-N 3Å; D110-Q112 VanDerWaalsContact C-N 3.31Å; D110-Q112 PolarHBondContact O-N 3.42Å; D110-E113 PolarHBondContact O-N 3.39Å; D110-E114 WeakPolarHBondContact O-CB 3.18Å; D110-E114 WeakPolarHBondContact O-CG 3.36Å; D110-E114 PolarHBondContact O-N 2.91Å
111N80.6Confident76.6Confident99 Ų9995.5 Ų95.553%0.52950%0.502SS..Hα-helixtrans-65.3-34.7179.6-78.3-27.4000112.3I107 E109 A115I107-N111 WeakPolarHBondContact CG2-ND2 3.49Å; I107-N111 VanDerWaalsContact O-CB 3.29Å; I107-N111 WeakPolarHBondContact O-CB 3.46Å; I107-N111 VanDerWaalsContact O-CG 3.24Å; I107-N111 PolarHBondContact O-N 2.99Å; I107-N111 PolarHBondContact O-ND2 3.02Å; E109-N111 VanDerWaalsContact C-N 3.33Å; E109-N111 PolarHBondContact O-N 3.35Å; N111-A115 WeakPolarHBondContact O-CB 3.43Å; N111-A115 PolarHBondContact O-N 2.92Å
112Q76.8Confident76.5Confident141 Ų14189.6 Ų89.666%0.65947%0.466SS*.Hα-helixtrans-67.5-43174.4-74.4175.97.600111.3A108 E109 D110 A115 H116A108-Q112 WeakPolarHBondContact O-CG 3.37Å; A108-Q112 PolarHBondContact O-N 2.83Å; A108-Q112 VanDerWaalsContact O-N 3.09Å; E109-Q112 WeakPolarHBondContact O-CB 2.86Å; E109-Q112 PolarHBondContact O-N 3.48Å; E109-Q112 VanDerWaalsContact O-N 3.12Å; D110-Q112 VanDerWaalsContact C-N 3.31Å; D110-Q112 PolarHBondContact O-N 3.42Å; Q112-A115 PolarHBondContact O-N 3.24Å; Q112-H116 WeakPolarHBondContact O-CB 3.33Å; Q112-H116 PolarHBondContact O-N 2.99Å
113E74.4Confident76.5Confident110 Ų11087.4 Ų87.451%0.51446%0.456SS..Hα-helixtrans-63.4-46175.7-71.3-167.8-176.400112.2E109 D110 H116 K117E109-E113 PolarHBondContact O-N 2.95Å; D110-E113 PolarHBondContact O-N 3.39Å; E113-H116 WeakPolarHBondContact O-CB 3.4Å; E113-H116 PolarHBondContact O-N 3.35Å; E113-K117 VanDerWaalsContact O-CG 3.3Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 2.92Å; E113-K117 IonicContact OE2-NZ 3.97Å
114E73Confident76.5Confident88 Ų8887 Ų8741%0.41145%0.454SS..Hα-helixtrans-66-38.4178.1-70.5-56.8123.100111.7D110 H116 K117 Q118D110-E114 WeakPolarHBondContact O-CB 3.18Å; D110-E114 WeakPolarHBondContact O-CG 3.36Å; D110-E114 PolarHBondContact O-N 2.91Å; E114-H116 VanDerWaalsContact C-N 3.35Å; E114-K117 PolarHBondContact O-N 3.46Å; E114-K117 IonicContact OE1-NZ 3.83Å; E114-K117 PolarHBondContact OE1-NZ 3.33Å; E114-Q118 WeakPolarHBondContact O-CB 3.4Å; E114-Q118 VanDerWaalsContact O-CG 3.27Å; E114-Q118 WeakPolarHBondContact O-CG 3.27Å; E114-Q118 PolarHBondContact O-N 2.86Å
115A71.3Confident76.1Confident57 Ų5788.2 Ų88.247%0.47146%0.459SS..Hα-helixtrans-63.7-40172.600000112N111 Q112 Q118 S119N111-A115 WeakPolarHBondContact O-CB 3.43Å; N111-A115 PolarHBondContact O-N 2.92Å; Q112-A115 PolarHBondContact O-N 3.24Å; A115-Q118 PolarHBondContact O-N 2.86Å; A115-S119 PolarHBondContact O-N 3.29Å
116H71.3Confident75.4Confident122 Ų12288 Ų8857%0.56547%0.465SS*.Hα-helixtrans-62.7-43.8174.9-177.4-92.2000111.5Q112 E113 E114 S119 G122Q112-H116 WeakPolarHBondContact O-CB 3.33Å; Q112-H116 PolarHBondContact O-N 2.99Å; E113-H116 WeakPolarHBondContact O-CB 3.4Å; E113-H116 PolarHBondContact O-N 3.35Å; E114-H116 VanDerWaalsContact C-N 3.35Å; H116-S119 WeakPolarHBondContact O-CB 3.38Å; H116-S119 PolarHBondContact O-N 3.12Å; H116-G122 VanDerWaalsContact O-CA 3.28Å; H116-G122 WeakPolarHBondContact O-CA 3.48Å
117K71.4Confident75.3Confident88 Ų8887.4 Ų87.438%0.38346%0.462SS..Hα-helixtrans-66.3-36.2176.5-68.5169.7-160.6163.30112.9E113 E114 S119 G122 Q123E113-K117 VanDerWaalsContact O-CG 3.3Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 2.92Å; E113-K117 IonicContact OE2-NZ 3.97Å; E114-K117 PolarHBondContact O-N 3.46Å; E114-K117 IonicContact OE1-NZ 3.83Å; E114-K117 PolarHBondContact OE1-NZ 3.33Å; K117-S119 VanDerWaalsContact C-N 3.34Å; K117-G122 CarbonylContact O-C 3.6Å; K117-Q123 PolarHBondContact O-N 3.37Å
118Q73.6Confident74.4Confident141 Ų14193.5 Ų93.566%0.65949%0.49SS*.Hα-helixtrans-75.3-22.3176.3-73.2-178.97.400113.1E114 A115 Q123E114-Q118 WeakPolarHBondContact O-CB 3.4Å; E114-Q118 VanDerWaalsContact O-CG 3.27Å; E114-Q118 WeakPolarHBondContact O-CG 3.27Å; E114-Q118 PolarHBondContact O-N 2.86Å; A115-Q118 PolarHBondContact O-N 2.86Å; Q118-Q123 PolarHBondContact O-NE2 2.72Å
119S74.5Confident73.8Confident59 Ų5999.1 Ų99.141%0.41351%0.514SS..SBendtrans-62.3152.8174.2-172.20000111.4A115 H116 K117 L121 G122 Q123A115-S119 PolarHBondContact O-N 3.29Å; H116-S119 WeakPolarHBondContact O-CB 3.38Å; H116-S119 PolarHBondContact O-N 3.12Å; K117-S119 VanDerWaalsContact C-N 3.34Å; S119-L121 PolarHBondContact O-N 3.3Å; S119-G122 WeakPolarHBondContact O-CA 3.39Å; S119-G122 PolarHBondContact O-N 3.37Å; S119-Q123 PolarHBondContact O-N 3.33Å
120V76.1Confident73.4Confident101 Ų10197.5 Ų97.561%0.61251%0.51SS*.Hα-helixtrans-54.4-39.3-179.3179.90000111.4Q123 L124V120-Q123 PolarHBondContact O-N 3.01Å; V120-L124 HydrophobicContact CG1-CD1 4.4Å; V120-L124 VanDerWaalsContact O-CG 3.29Å; V120-L124 WeakPolarHBondContact O-CG 3.5Å; V120-L124 PolarHBondContact O-N 3.47Å; V120-L124 VanDerWaalsContact O-N 3.08Å
121L74.9Confident73.1Confident109 Ų10997.1 Ų97.157%0.57151%0.508SS*.Hα-helixtrans-65.6-41.5175.3-75.5173.6000112.4S119 Q123 L124 S125S119-L121 PolarHBondContact O-N 3.3Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-Q123 PolarHBondContact O-N 2.85Å; L121-L124 PolarHBondContact O-N 3.12Å; L121-S125 PolarHBondContact O-N 3.47Å; L121-S125 PolarHBondContact O-OG 3.43Å
122G71.8Confident73.1Confident1 Ų194.9 Ų94.91%0.0150%0.495CS..Hα-helixtrans-63-37.6175.400000113.2H116 K117 S119 S125 N126H116-G122 VanDerWaalsContact O-CA 3.28Å; H116-G122 WeakPolarHBondContact O-CA 3.48Å; K117-G122 CarbonylContact O-C 3.6Å; S119-G122 WeakPolarHBondContact O-CA 3.39Å; S119-G122 PolarHBondContact O-N 3.37Å; G122-S125 VanDerWaalsContact C-OG 3.25Å; G122-S125 VanDerWaalsContact CA-OG 3.23Å; G122-S125 WeakPolarHBondContact CA-OG 3.29Å; G122-S125 PolarHBondContact O-N 3.38Å; G122-S125 PolarHBondContact O-OG 3.32Å; G122-N126 PolarHBondContact O-N 2.88Å
123Q74.3Confident73.3Confident112 Ų11293.3 Ų93.352%0.52349%0.491SS..Hα-helixtrans-66.5-39.1174.7-67.9177.2-1100111.9K117 Q118 S119 V120 L121 N126K117-Q123 PolarHBondContact O-N 3.37Å; Q118-Q123 PolarHBondContact O-NE2 2.72Å; S119-Q123 PolarHBondContact O-N 3.33Å; V120-Q123 PolarHBondContact O-N 3.01Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-Q123 PolarHBondContact O-N 2.85Å; Q123-N126 PolarHBondContact O-N 3.42Å
124L74.6Confident73.7Confident61 Ų6193.1 Ų93.132%0.31949%0.491SS..Hα-helixtrans-67.2-36.6176.5-69.1171.1000112.2V120 L121 N126 I127 I132V120-L124 HydrophobicContact CG1-CD1 4.4Å; V120-L124 VanDerWaalsContact O-CG 3.29Å; V120-L124 WeakPolarHBondContact O-CG 3.5Å; V120-L124 PolarHBondContact O-N 3.47Å; V120-L124 VanDerWaalsContact O-N 3.08Å; L121-L124 PolarHBondContact O-N 3.12Å; L124-N126 PolarHBondContact O-N 2.91Å; L124-I127 HydrophobicContact CD2-CD1 3.9Å; L124-I127 PolarHBondContact O-N 3.48Å; L124-I132 HydrophobicContact CB-CD1 3.99Å
125S70.5Confident74.2Confident64 Ų6493.6 Ų93.645%0.44850%0.495SS..Hα-helixtrans-66.2-17.7174.641.40000114.3L121 G122L121-S125 PolarHBondContact O-N 3.47Å; L121-S125 PolarHBondContact O-OG 3.43Å; G122-S125 VanDerWaalsContact C-OG 3.25Å; G122-S125 VanDerWaalsContact CA-OG 3.23Å; G122-S125 WeakPolarHBondContact CA-OG 3.29Å; G122-S125 PolarHBondContact O-N 3.38Å; G122-S125 PolarHBondContact O-OG 3.32Å
126N70.4Confident74.9Confident128 Ų12896.4 Ų96.468%0.68450%0.497SS*.THydrogen-bonded Turntrans-86.5-5.7175.3-80.9-14.8000113.7G122 Q123 L124G122-N126 PolarHBondContact O-N 2.88Å; Q123-N126 PolarHBondContact O-N 3.42Å; L124-N126 PolarHBondContact O-N 2.91Å
127I77.4Confident75.7Confident87 Ų8795.2 Ų95.245%0.44650%0.495SS..SBendtrans-82.9121.3-180-56.8175.9000108.9L124 N129 V130L124-I127 HydrophobicContact CD2-CD1 3.9Å; L124-I127 PolarHBondContact O-N 3.48Å; I127-N129 PolarHBondContact O-N 2.95Å; I127-V130 HydrophobicContact CB-CB 4.45Å; I127-V130 HydrophobicContact CB-CG2 3.91Å; I127-V130 HydrophobicContact CG2-CG2 3.81Å; I127-V130 PolarHBondContact O-N 3.31Å
128Q62.4Low76.5Confident172 Ų17297.7 Ų97.780%0.80451%0.505SS*.THydrogen-bonded Turntrans-58.1126.2170.4-75-179.17.200109.3
129N67Low77.2Confident166 Ų16693.5 Ų93.589%0.88850%0.495SS*.THydrogen-bonded Turntrans85.614178.7-42.7-52.1000117.3I127I127-N129 PolarHBondContact O-N 2.95Å
130V72.1Confident77.9Confident59 Ų5995.7 Ų95.736%0.35850%0.499SS..  trans-102.3106.1167-179.50000109.6I127 I132I127-V130 HydrophobicContact CB-CB 4.45Å; I127-V130 HydrophobicContact CB-CG2 3.91Å; I127-V130 HydrophobicContact CG2-CG2 3.81Å; I127-V130 PolarHBondContact O-N 3.31Å; V130-I132 HydrophobicContact CG1-CD1 4.19Å; V130-I132 PolarHBondContact O-N 2.92Å
131D77.1Confident78.6Confident74 Ų7493.1 Ų93.140%0.39649%0.488SS..  trans-84.499.2172.3-170.5-18.6000109.1D133 Q134 L135D131-D133 PolarHBondContact O-N 3.08Å; D131-D133 WeakPolarHBondContact OD1-CB 3.28Å; D131-D133 PolarHBondContact OD1-N 3.49Å; D131-D133 VanDerWaalsContact OD1-N 3.11Å; D131-Q134 HydrophobicContact CB-CB 4.1Å; D131-Q134 HydrophobicContact CB-CG 4.05Å; D131-Q134 PolarHBondContact O-N 3.41Å; D131-Q134 PolarHBondContact OD1-N 2.82Å; D131-Q134 VanDerWaalsContact OD2-CD 3.26Å; D131-Q134 VanDerWaalsContact OD2-CG 3.29Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.3Å; D131-Q134 PolarHBondContact OD2-NE2 2.93Å; D131-L135 PolarHBondContact O-N 2.92Å; D131-L135 VanDerWaalsContact O-N 3.15Å
132I80.4Confident79.2Confident53 Ų5391.8 Ų91.827%0.27249%0.485SS..Hα-helixtrans-61.8-32.9-179.3-62.7-76.4000110.8L124 V130 L135 K136L124-I132 HydrophobicContact CB-CD1 3.99Å; V130-I132 HydrophobicContact CG1-CD1 4.19Å; V130-I132 PolarHBondContact O-N 2.92Å; I132-L135 PolarHBondContact O-N 3.18Å; I132-K136 WeakPolarHBondContact O-CB 3.41Å; I132-K136 PolarHBondContact O-N 3.31Å
133D80.9Confident80.1Confident107 Ų10796.4 Ų96.457%0.57251%0.509SS*.Hα-helixtrans-68.3-43.9-179.3-66.7-38.6000110.1D131 L135 K136 D137D131-D133 PolarHBondContact O-N 3.08Å; D131-D133 WeakPolarHBondContact OD1-CB 3.28Å; D131-D133 PolarHBondContact OD1-N 3.49Å; D131-D133 VanDerWaalsContact OD1-N 3.11Å; D133-L135 VanDerWaalsContact C-N 3.33Å; D133-L135 PolarHBondContact O-N 3.38Å; D133-K136 WeakPolarHBondContact O-CB 3.47Å; D133-K136 PolarHBondContact O-N 3.21Å; D133-D137 WeakPolarHBondContact O-CB 3.23Å; D133-D137 VanDerWaalsContact O-CG 3.25Å; D133-D137 PolarHBondContact O-N 3.01Å
134Q82.9Confident80.9Confident107 Ų10796.5 Ų96.550%0.551%0.509SS..Hα-helixtrans-62.6-37.6173.4-72.217927.100113.4D131 K138D131-Q134 HydrophobicContact CB-CB 4.1Å; D131-Q134 HydrophobicContact CB-CG 4.05Å; D131-Q134 PolarHBondContact O-N 3.41Å; D131-Q134 PolarHBondContact OD1-N 2.82Å; D131-Q134 VanDerWaalsContact OD2-CD 3.26Å; D131-Q134 VanDerWaalsContact OD2-CG 3.29Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.3Å; D131-Q134 PolarHBondContact OD2-NE2 2.93Å; Q134-K138 WeakPolarHBondContact O-CB 3.31Å; Q134-K138 VanDerWaalsContact O-CG 3.31Å; Q134-K138 WeakPolarHBondContact O-CG 3.37Å; Q134-K138 PolarHBondContact O-N 3.42Å
135L83.3Confident81.5Confident97 Ų9798.2 Ų98.251%0.50852%0.519SS..Hα-helixtrans-66.6-41.4176.9-179.162.9000110.9D131 I132 D133 K138 A139D131-L135 PolarHBondContact O-N 2.92Å; D131-L135 VanDerWaalsContact O-N 3.15Å; I132-L135 PolarHBondContact O-N 3.18Å; D133-L135 VanDerWaalsContact C-N 3.33Å; D133-L135 PolarHBondContact O-N 3.38Å; L135-K138 PolarHBondContact O-N 2.84Å; L135-A139 VanDerWaalsContact O-CB 3.31Å; L135-A139 WeakPolarHBondContact O-CB 3.32Å; L135-A139 PolarHBondContact O-N 2.85Å
136K85.6Confident82.3Confident116 Ų116100.2 Ų100.250%0.50452%0.524SS..Hα-helixtrans-64.4-45.4176.9-178.8-175.7172.7-168.80111.5I132 D133 K138 A139 Q140I132-K136 WeakPolarHBondContact O-CB 3.41Å; I132-K136 PolarHBondContact O-N 3.31Å; D133-K136 WeakPolarHBondContact O-CB 3.47Å; D133-K136 PolarHBondContact O-N 3.21Å; K136-K138 PolarHBondContact O-N 2.81Å; K136-A139 PolarHBondContact O-N 3.37Å; K136-Q140 WeakPolarHBondContact O-CB 3.38Å; K136-Q140 WeakPolarHBondContact O-CG 3.41Å; K136-Q140 PolarHBondContact O-N 2.9Å
137D88.9Confident83Confident98 Ų98100.1 Ų100.152%0.52452%0.517SS..Hα-helixtrans-62.6-43.4178.4-70.1-14.7000111.2D133 Q140 A141D133-D137 WeakPolarHBondContact O-CB 3.23Å; D133-D137 VanDerWaalsContact O-CG 3.25Å; D133-D137 PolarHBondContact O-N 3.01Å; D137-Q140 PolarHBondContact O-N 3.27Å; D137-A141 WeakPolarHBondContact O-CB 3.48Å; D137-A141 PolarHBondContact O-N 2.96Å
138K87.3Confident83.4Confident139 Ų139101.3 Ų101.360%0.60452%0.519SS*.Hα-helixtrans-64-43.4174.7-74.9175.7-177.6173.40112Q134 L135 K136 A141 T142Q134-K138 WeakPolarHBondContact O-CB 3.31Å; Q134-K138 VanDerWaalsContact O-CG 3.31Å; Q134-K138 WeakPolarHBondContact O-CG 3.37Å; Q134-K138 PolarHBondContact O-N 3.42Å; L135-K138 PolarHBondContact O-N 2.84Å; K136-K138 PolarHBondContact O-N 2.81Å; K138-A141 PolarHBondContact O-N 3.37Å; K138-T142 VanDerWaalsContact O-CG2 3.32Å; K138-T142 WeakPolarHBondContact O-CG2 3.36Å; K138-T142 PolarHBondContact O-N 2.94Å; K138-T142 PolarHBondContact O-OG1 3.27Å
139A88.5Confident84.3Confident53 Ų5399.1 Ų99.144%0.43851%0.509SS..Hα-helixtrans-63.1-43.4177.200000111.5L135 K136 T142 L143L135-A139 VanDerWaalsContact O-CB 3.31Å; L135-A139 WeakPolarHBondContact O-CB 3.32Å; L135-A139 PolarHBondContact O-N 2.85Å; K136-A139 PolarHBondContact O-N 3.37Å; A139-T142 WeakPolarHBondContact CA-OG1 3.33Å; A139-T142 PolarHBondContact O-N 2.9Å; A139-T142 PolarHBondContact O-OG1 3.4Å; A139-L143 WeakPolarHBondContact O-CB 3.32Å; A139-L143 PolarHBondContact O-N 3.48Å
140Q89Confident84.9Confident105 Ų10595 Ų9549%0.49149%0.49SS..Hα-helixtrans-62.6-45.6176-75.7-177-1500111.7K136 D137 T142 L143 E144K136-Q140 WeakPolarHBondContact O-CB 3.38Å; K136-Q140 WeakPolarHBondContact O-CG 3.41Å; K136-Q140 PolarHBondContact O-N 2.9Å; D137-Q140 PolarHBondContact O-N 3.27Å; Q140-T142 PolarHBondContact O-N 3.03Å; Q140-L143 PolarHBondContact O-N 3.27Å; Q140-E144 PolarHBondContact O-N 2.71Å
141A90.6Very high85Confident48 Ų4898 Ų9840%0.39750%0.5SS..Hα-helixtrans-59.1-45.9175.800000111.9D137 K138 L143 E144 D145D137-A141 WeakPolarHBondContact O-CB 3.48Å; D137-A141 PolarHBondContact O-N 2.96Å; K138-A141 PolarHBondContact O-N 3.37Å; A141-L143 VanDerWaalsContact C-N 3.31Å; A141-L143 PolarHBondContact O-N 3.42Å; A141-E144 PolarHBondContact O-N 3.16Å; A141-D145 WeakPolarHBondContact O-CB 3.42Å; A141-D145 PolarHBondContact O-N 3.43Å
142T88.1Confident84.6Confident81 Ų8199.5 Ų99.550%0.49751%0.508SS..Hα-helixtrans-64.8-33.4177.858.10000113.3K138 A139 Q140 L146K138-T142 VanDerWaalsContact O-CG2 3.32Å; K138-T142 WeakPolarHBondContact O-CG2 3.36Å; K138-T142 PolarHBondContact O-N 2.94Å; K138-T142 PolarHBondContact O-OG1 3.27Å; A139-T142 WeakPolarHBondContact CA-OG1 3.33Å; A139-T142 PolarHBondContact O-N 2.9Å; A139-T142 PolarHBondContact O-OG1 3.4Å; Q140-T142 PolarHBondContact O-N 3.03Å; T142-L146 WeakPolarHBondContact O-CB 3.36Å; T142-L146 WeakPolarHBondContact O-CG 3.43Å; T142-L146 PolarHBondContact O-N 3.25Å
143L91.4Very high83.6Confident97 Ų97101.1 Ų101.151%0.50852%0.523SS..Hα-helixtrans-69.7-42.9175.7-168158.2000111A139 Q140 A141 D145 L146 K147A139-L143 WeakPolarHBondContact O-CB 3.32Å; A139-L143 PolarHBondContact O-N 3.48Å; Q140-L143 PolarHBondContact O-N 3.27Å; A141-L143 VanDerWaalsContact C-N 3.31Å; A141-L143 PolarHBondContact O-N 3.42Å; L143-D145 VanDerWaalsContact C-N 3.35Å; L143-L146 PolarHBondContact O-N 3.05Å; L143-K147 HydrophobicContact CD2-CD 3.93Å; L143-K147 HydrophobicContact CD2-CG 4.19Å; L143-K147 WeakPolarHBondContact O-CB 3.49Å; L143-K147 PolarHBondContact O-N 2.9Å
144E89.4Confident82.4Confident114 Ų114102 Ų10253%0.53353%0.528SS..Hα-helixtrans-63.1-40.7174.6-73.4-169.9-179.900112.2Q140 A141 K147 K148Q140-E144 PolarHBondContact O-N 2.71Å; A141-E144 PolarHBondContact O-N 3.16Å; E144-K147 WeakPolarHBondContact O-CB 3.5Å; E144-K147 PolarHBondContact O-N 3.25Å; E144-K148 WeakPolarHBondContact O-CG 3.5Å; E144-K148 PolarHBondContact O-N 3.26Å
145D87.6Confident81.1Confident98 Ų98104 Ų10452%0.52454%0.541SS..Hα-helixtrans-65-43175.8-76.7-17.3000111.5A141 L143 K147 K148 Q149A141-D145 WeakPolarHBondContact O-CB 3.42Å; A141-D145 PolarHBondContact O-N 3.43Å; L143-D145 VanDerWaalsContact C-N 3.35Å; D145-K147 PolarHBondContact O-N 2.95Å; D145-K148 PolarHBondContact O-N 2.9Å; D145-Q149 VanDerWaalsContact O-CB 3.32Å; D145-Q149 WeakPolarHBondContact O-CB 3.31Å; D145-Q149 PolarHBondContact O-N 3.41Å
146L86.9Confident79.2Confident105 Ų105110.2 Ų110.255%0.5557%0.57SS.*Hα-helixtrans-62.3-40.4173.3-86.3162.8000112.4T142 L143 Q149 T150T142-L146 WeakPolarHBondContact O-CB 3.36Å; T142-L146 WeakPolarHBondContact O-CG 3.43Å; T142-L146 PolarHBondContact O-N 3.25Å; L143-L146 PolarHBondContact O-N 3.05Å; L146-Q149 PolarHBondContact O-N 3.33Å; L146-T150 WeakPolarHBondContact O-CB 3.29Å; L146-T150 PolarHBondContact O-N 3.48Å; L146-T150 PolarHBondContact O-OG1 2.88Å
147K86.6Confident78.9Confident126 Ų126110 Ų11055%0.54857%0.574SS.*Hα-helixtrans-61.1-51174.3-90.6-174.9174.1-179.20111.2L143 E144 D145 Q149 T150 E151L143-K147 HydrophobicContact CD2-CD 3.93Å; L143-K147 HydrophobicContact CD2-CG 4.19Å; L143-K147 WeakPolarHBondContact O-CB 3.49Å; L143-K147 PolarHBondContact O-N 2.9Å; E144-K147 WeakPolarHBondContact O-CB 3.5Å; E144-K147 PolarHBondContact O-N 3.25Å; D145-K147 PolarHBondContact O-N 2.95Å; K147-Q149 VanDerWaalsContact C-N 3.3Å; K147-Q149 PolarHBondContact O-N 3.45Å; K147-T150 PolarHBondContact O-N 3.5Å; K147-T150 VanDerWaalsContact O-N 3.12Å; K147-E151 WeakPolarHBondContact O-CG 3.48Å; K147-E151 PolarHBondContact O-N 3.23Å
148K84.8Confident78.4Confident112 Ų112110.6 Ų110.649%0.48758%0.576SS.*Hα-helixtrans-59.2-42.1177.1-75173.6-177.1165.50111.7E144 D145 T150 E151 N152E144-K148 WeakPolarHBondContact O-CG 3.5Å; E144-K148 PolarHBondContact O-N 3.26Å; D145-K148 PolarHBondContact O-N 2.9Å; K148-T150 VanDerWaalsContact C-N 3.32Å; K148-T150 PolarHBondContact O-N 3.06Å; K148-E151 PolarHBondContact O-N 3.11Å; K148-N152 WeakPolarHBondContact O-CB 3.46Å; K148-N152 PolarHBondContact O-N 3.18Å; K148-N152 PolarHBondContact O-ND2 3.32Å
149Q82.6Confident77.9Confident127 Ų127109 Ų10959%0.59358%0.575SS**Hα-helixtrans-63.6-39.5177.1-166.8179.5-46.300111.6D145 L146 K147 N152 C153D145-Q149 VanDerWaalsContact O-CB 3.32Å; D145-Q149 WeakPolarHBondContact O-CB 3.31Å; D145-Q149 PolarHBondContact O-N 3.41Å; L146-Q149 PolarHBondContact O-N 3.33Å; K147-Q149 VanDerWaalsContact C-N 3.3Å; K147-Q149 PolarHBondContact O-N 3.45Å; Q149-N152 PolarHBondContact O-N 2.91Å; Q149-C153 PolarHBondContact O-N 3.22Å; Q149-C153 PolarHBondContact O-SG 3.15Å; Q149-C153 VanDerWaalsContact O-SG 3.37Å
150T78.1Confident77.3Confident80 Ų80112.3 Ų112.349%0.49158%0.583SS.*Hα-helixtrans-70.6-39.2177.6-52.30000112.1L146 K147 K148 N152 C153 N154L146-T150 WeakPolarHBondContact O-CB 3.29Å; L146-T150 PolarHBondContact O-N 3.48Å; L146-T150 PolarHBondContact O-OG1 2.88Å; K147-T150 PolarHBondContact O-N 3.5Å; K147-T150 VanDerWaalsContact O-N 3.12Å; K148-T150 VanDerWaalsContact C-N 3.32Å; K148-T150 PolarHBondContact O-N 3.06Å; T150-N152 VanDerWaalsContact C-N 3.35Å; T150-C153 PolarHBondContact O-N 3.38Å; T150-N154 PolarHBondContact O-N 3.35Å; T150-N154 VanDerWaalsContact O-N 3.12Å; T150-N154 PolarHBondContact O-ND2 3.37Å
151E75.3Confident76.5Confident122 Ų122112.8 Ų112.857%0.5759%0.589SS**Hα-helixtrans-63.2-41.3173.8-73.2173.1-179.100111.4K147 K148 N154 L155K147-E151 WeakPolarHBondContact O-CG 3.48Å; K147-E151 PolarHBondContact O-N 3.23Å; K148-E151 PolarHBondContact O-N 3.11Å; E151-N154 PolarHBondContact O-N 3.36Å; E151-L155 PolarHBondContact O-N 3.3Å
152N67.8Low75.6Confident105 Ų105117.1 Ų117.156%0.56160%0.601SS**Hα-helixtrans-68.4-32.1176.1-70-31.9000113K148 Q149 T150 L155K148-N152 WeakPolarHBondContact O-CB 3.46Å; K148-N152 PolarHBondContact O-N 3.18Å; K148-N152 PolarHBondContact O-ND2 3.32Å; Q149-N152 PolarHBondContact O-N 2.91Å; T150-N152 VanDerWaalsContact C-N 3.35Å; N152-L155 PolarHBondContact O-N 2.81Å
153C60.7Low74.7Confident86 Ų86119.6 Ų119.658%0.58161%0.609SS**Hα-helixtrans-75-22.6174.1-74.80000113.9Q149 T150 L155Q149-C153 PolarHBondContact O-N 3.22Å; Q149-C153 PolarHBondContact O-SG 3.15Å; Q149-C153 VanDerWaalsContact O-SG 3.37Å; T150-C153 PolarHBondContact O-N 3.38Å; C153-L155 VanDerWaalsContact C-N 3.32Å
154N55.9Low73.4Confident127 Ų127121.4 Ų121.468%0.67962%0.617SS**THydrogen-bonded Turntrans-83.9-7.6174-78.2-72.5000113.3T150 E151T150-N154 PolarHBondContact O-N 3.35Å; T150-N154 VanDerWaalsContact O-N 3.12Å; T150-N154 PolarHBondContact O-ND2 3.37Å; E151-N154 PolarHBondContact O-N 3.36Å
155L53.8Low72.1Confident149 Ų149122 Ų12278%0.7862%0.624SS**THydrogen-bonded Turntrans-100.32.9176.5-75163.6000113.2E151 N152 C153E151-L155 PolarHBondContact O-N 3.3Å; N152-L155 PolarHBondContact O-N 2.81Å; C153-L155 VanDerWaalsContact C-N 3.32Å
156M44.8Very low70.7Confident227 Ų227124.2 Ų124.2100%1.11863%0.633SS**  trans-101.40165.1-73.9-165.5-171.800110.4

Retrieved 156 of 156 residues in 261.6 ms (Link to these results)