SYBL_SCHMA Loading...

Synaptobrevin-like protein

Unknown, but synaptobrevins are presumed to be involved in targeting and fusion of synaptic vesicles with the presynaptic membrane as well as in neurotransmitter release.

AlphaFold DB , UniProt , Accession Q27236, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 131 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
1M49.6Very low55.7Low240 Ų240146.4 Ų146.4100%1.18278%0.776SS**  0127.10-155.5-173.4-73.300106.5
2L48.5Very low56.1Low145 Ų145141.2 Ų141.276%0.75976%0.757SS**  trans-46.4130.1-157.4-113.568.1000116.7I4L2-I4 HydrophobicContact CD2-CD1 3.49Å; L2-I4 VanDerWaalsContact CD2-CD1 3.49Å; L2-I4 HydrophobicContact CD2-CG1 3.79Å; L2-I4 HydrophobicContact CG-CD1 4.38Å; L2-I4 HydrophobicContact CG-CG1 4.17Å
3H46Very low56.4Low185 Ų185138.5 Ų138.586%0.85674%0.74SS**  trans-90.4119.2150.3-68.5155000107.9
4I62.6Low57.1Low123 Ų123141.6 Ų141.663%0.63174%0.744SS**  trans-129.5101.1157.1-49.8-177.1000107.5L2 T6L2-I4 HydrophobicContact CD2-CD1 3.49Å; L2-I4 VanDerWaalsContact CD2-CD1 3.49Å; L2-I4 HydrophobicContact CD2-CG1 3.79Å; L2-I4 HydrophobicContact CG-CD1 4.38Å; L2-I4 HydrophobicContact CG-CG1 4.17Å; I4-T6 HydrophobicContact CG2-CG2 3.79Å; I4-T6 PolarHBondContact O-N 3.09Å; I4-T6 VanDerWaalsContact O-N 3.13Å
5T60.3Low58.2Low116 Ų116138 Ų13871%0.71273%0.73SS**  trans-72.390.9166.4-59.20000108.2M7T5-M7 HydrophobicContact CG2-CE 4.13Å; T5-M7 HydrophobicContact CG2-CG 3.6Å
6T58.1Low59.4Low109 Ų109135.4 Ų135.467%0.66972%0.717SS**  trans-95.579.6161.157.60000108.7I4 T8I4-T6 HydrophobicContact CG2-CG2 3.79Å; I4-T6 PolarHBondContact O-N 3.09Å; I4-T6 VanDerWaalsContact O-N 3.13Å; T6-T8 PolarHBondContact O-N 3.13Å; T6-T8 VanDerWaalsContact O-N 3.09Å
7M56.3Low60.8Low165 Ų165135.5 Ų135.581%0.81371%0.71SS**  trans-7887.8161.4-57.7-77.5179.300105.8T5 D9T5-M7 HydrophobicContact CG2-CE 4.13Å; T5-M7 HydrophobicContact CG2-CG 3.6Å; M7-D9 VanDerWaalsContact C-N 3.32Å; M7-D9 PolarHBondContact O-N 2.96Å
8T64.2Low61.9Low122 Ų122137.9 Ų137.975%0.74871%0.708SS**  trans-66.895.116947.20000108.2T6 K10T6-T8 PolarHBondContact O-N 3.13Å; T6-T8 VanDerWaalsContact O-N 3.09Å; T8-K10 VanDerWaalsContact C-N 3.33Å; T8-K10 PolarHBondContact O-N 2.96Å
9D51.8Low63Low147 Ų147135.9 Ų135.979%0.78670%0.698SS**  trans-64.295165.1-177.221.6000108.7M7M7-D9 VanDerWaalsContact C-N 3.32Å; M7-D9 PolarHBondContact O-N 2.96Å
10K56.1Low64.1Low192 Ų192135.4 Ų135.484%0.83569%0.693SS**  trans-129.482.4159.3-77.8-163.4-178.9-173.10107.2T8 P12T8-K10 VanDerWaalsContact C-N 3.33Å; T8-K10 PolarHBondContact O-N 2.96Å; K10-P12 WeakPolarHBondContact O-CD 3.05Å
11A59.6Low65.1Low66 Ų66134.6 Ų134.655%0.54569%0.686SS.*  trans-95.592164.600000109.5I13A11-I13 HydrophobicContact CB-CG1 3.96Å; A11-I13 PolarHBondContact O-N 3.27Å
12P60.6Low66.8Low84 Ų84126.7 Ų126.755%0.54565%0.652SS.*  trans-77.757.817436.3-36.9000110K10K10-P12 WeakPolarHBondContact O-CD 3.05Å
13I59.3Low68.6Low106 Ų106125.9 Ų125.954%0.54464%0.644SS.*Hα-helixtrans-88.3-14-176.4-55-58.4000111.6A11A11-I13 HydrophobicContact CB-CG1 3.96Å; A11-I13 PolarHBondContact O-N 3.27Å
14K66.2Low70.8Confident182 Ų182119.8 Ų119.879%0.79163%0.626SS**Hα-helixtrans-81.3-32.5178.7-60.8-170.2-176.8-1760113.4
15T74.2Confident72.1Confident88 Ų88119.8 Ų119.854%0.5462%0.623SS.*Hα-helixtrans-70.4-43.4-174.9-45.20000112.9K17 R18 L19T15-K17 PolarHBondContact O-N 3.42Å; T15-R18 PolarHBondContact O-N 3.1Å; T15-L19 HydrophobicContact CG2-CD1 4.34Å; T15-L19 PolarHBondContact O-N 2.84Å; T15-L19 VanDerWaalsContact O-N 3.1Å
16N77.2Confident73.6Confident96 Ų96117.9 Ų117.951%0.51361%0.611SS.*Hα-helixtrans-61.7-42.2-178.9-78.8-68.1000112.9R18 L19 Q20N16-R18 VanDerWaalsContact C-N 3.34Å; N16-R18 PolarHBondContact O-N 2.84Å; N16-L19 PolarHBondContact O-N 3.26Å; N16-Q20 WeakPolarHBondContact O-CG 3.44Å; N16-Q20 PolarHBondContact O-N 3.43Å
17K82.5Confident75.3Confident138 Ų138117.5 Ų117.560%0.661%0.605SS**Hα-helixtrans-62.3-40.3178-69.3-174.6177.9-178.60112.1T15 Q21T15-K17 PolarHBondContact O-N 3.42Å; K17-Q21 WeakPolarHBondContact O-CB 3.36Å; K17-Q21 VanDerWaalsContact O-CG 3.27Å; K17-Q21 WeakPolarHBondContact O-CG 3.26Å; K17-Q21 PolarHBondContact O-N 3.38Å
18R81.5Confident77.1Confident179 Ų179115.5 Ų115.568%0.67559%0.593SS**Hα-helixtrans-66.6-43.1178-69.7-71.8174.8166.4-3111.7T15 N16 Q21 T22T15-R18 PolarHBondContact O-N 3.1Å; N16-R18 VanDerWaalsContact C-N 3.34Å; N16-R18 PolarHBondContact O-N 2.84Å; R18-Q21 PolarHBondContact O-N 2.97Å; R18-T22 PolarHBondContact O-N 2.99Å; R18-T22 PolarHBondContact O-OG1 3.33Å; R18-T22 VanDerWaalsContact O-OG1 3.08Å
19L82.7Confident78.5Confident99 Ų99113.2 Ų113.252%0.51858%0.579SS.*Hα-helixtrans-64.3-41.9176.2-69175.3000112.5T15 N16 T22 Q23T15-L19 HydrophobicContact CG2-CD1 4.34Å; T15-L19 PolarHBondContact O-N 2.84Å; T15-L19 VanDerWaalsContact O-N 3.1Å; N16-L19 PolarHBondContact O-N 3.26Å; L19-T22 PolarHBondContact O-N 3.36Å; L19-Q23 WeakPolarHBondContact O-CG 3.27Å; L19-Q23 PolarHBondContact O-N 3.47Å
20Q84.2Confident80.6Confident126 Ų126109 Ų10959%0.58956%0.559SS**Hα-helixtrans-63-41.1175.1-73.2176.74.300111.9N16 Q23 A24N16-Q20 WeakPolarHBondContact O-CG 3.44Å; N16-Q20 PolarHBondContact O-N 3.43Å; Q20-Q23 PolarHBondContact O-N 2.91Å; Q20-A24 WeakPolarHBondContact O-CB 3.47Å; Q20-A24 PolarHBondContact O-N 3.25Å
21Q85.3Confident82.4Confident118 Ų118103.6 Ų103.655%0.55154%0.539SS*.Hα-helixtrans-61.1-43.7173.1-75.7176.4-32.300111.7K17 R18 A24 Q25K17-Q21 WeakPolarHBondContact O-CB 3.36Å; K17-Q21 VanDerWaalsContact O-CG 3.27Å; K17-Q21 WeakPolarHBondContact O-CG 3.26Å; K17-Q21 PolarHBondContact O-N 3.38Å; R18-Q21 PolarHBondContact O-N 2.97Å; Q21-A24 PolarHBondContact O-N 3.34Å; Q21-Q25 WeakPolarHBondContact O-CB 3.37Å; Q21-Q25 PolarHBondContact O-N 2.98Å
22T86.3Confident84.1Confident75 Ų75104.5 Ų104.546%0.4653%0.534SS..Hα-helixtrans-65.7-41.2176.4-58.30000112.1R18 L19 Q25 V26R18-T22 PolarHBondContact O-N 2.99Å; R18-T22 PolarHBondContact O-OG1 3.33Å; R18-T22 VanDerWaalsContact O-OG1 3.08Å; L19-T22 PolarHBondContact O-N 3.36Å; T22-Q25 PolarHBondContact O-N 2.78Å; T22-V26 HydrophobicContact CG2-CG2 4.42Å; T22-V26 WeakPolarHBondContact O-CB 3.38Å; T22-V26 VanDerWaalsContact O-CG2 3.27Å; T22-V26 WeakPolarHBondContact O-CG2 3.3Å; T22-V26 PolarHBondContact O-N 3.43Å
23Q86.7Confident85.8Confident128 Ų128105.4 Ų105.460%0.59853%0.532SS*.Hα-helixtrans-63.1-43.3175.1-76.9-179.4-11.400111.9L19 Q20 V26 N27L19-Q23 WeakPolarHBondContact O-CG 3.27Å; L19-Q23 PolarHBondContact O-N 3.47Å; Q20-Q23 PolarHBondContact O-N 2.91Å; Q23-V26 PolarHBondContact O-N 2.91Å; Q23-N27 WeakPolarHBondContact O-CB 3.27Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-ND2 3.33Å
24A90.5Very high87.6Confident57 Ų57107.5 Ų107.547%0.47153%0.533SS..Hα-helixtrans-61.8-44.1175.600000111.6Q20 Q21 N27 E28Q20-A24 WeakPolarHBondContact O-CB 3.47Å; Q20-A24 PolarHBondContact O-N 3.25Å; Q21-A24 PolarHBondContact O-N 3.34Å; A24-N27 PolarHBondContact O-N 3.37Å; A24-E28 PolarHBondContact O-N 2.96Å
25Q91.5Very high89Confident122 Ų122102.3 Ų102.357%0.5752%0.516SS*.Hα-helixtrans-63.8-41.5177-174.4178.340.800112.3Q21 T22 E28 V29Q21-Q25 WeakPolarHBondContact O-CB 3.37Å; Q21-Q25 PolarHBondContact O-N 2.98Å; T22-Q25 PolarHBondContact O-N 2.78Å; Q25-E28 PolarHBondContact O-N 3.47Å; Q25-V29 VanDerWaalsContact O-CG2 3.31Å; Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 3Å
26V91.6Very high90Very high77 Ų77101.4 Ų101.447%0.46751%0.508SS..Hα-helixtrans-65.1-42.9176.6170.70000110.7T22 Q23 E28 V29 V30T22-V26 HydrophobicContact CG2-CG2 4.42Å; T22-V26 WeakPolarHBondContact O-CB 3.38Å; T22-V26 VanDerWaalsContact O-CG2 3.27Å; T22-V26 WeakPolarHBondContact O-CG2 3.3Å; T22-V26 PolarHBondContact O-N 3.43Å; Q23-V26 PolarHBondContact O-N 2.91Å; V26-E28 VanDerWaalsContact C-N 3.34Å; V26-E28 PolarHBondContact O-N 3.28Å; V26-V29 PolarHBondContact O-N 3.48Å; V26-V30 HydrophobicContact CG1-CG2 4.23Å; V26-V30 WeakPolarHBondContact O-CB 3.31Å; V26-V30 VanDerWaalsContact O-CG2 3.26Å; V26-V30 WeakPolarHBondContact O-CG2 3.5Å; V26-V30 PolarHBondContact O-N 2.82Å
27N93.3Very high90.9Very high101 Ų101100.2 Ų100.254%0.5450%0.504SS..Hα-helixtrans-60.4-45176.5-70.5-20.8000111.4Q23 A24 V29 V30 D31Q23-N27 WeakPolarHBondContact O-CB 3.27Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-ND2 3.33Å; A24-N27 PolarHBondContact O-N 3.37Å; N27-V29 PolarHBondContact O-N 3.36Å; N27-V30 PolarHBondContact O-N 3.08Å; N27-D31 VanDerWaalsContact O-CG 3.29Å; N27-D31 PolarHBondContact O-N 2.94Å
28E94.6Very high91.5Very high122 Ų12298.6 Ų98.657%0.5750%0.502SS*.Hα-helixtrans-59.4-46.1175.4-177.7178.9-16700111.9A24 Q25 V26 V30 D31 I32A24-E28 PolarHBondContact O-N 2.96Å; Q25-E28 PolarHBondContact O-N 3.47Å; V26-E28 VanDerWaalsContact C-N 3.34Å; V26-E28 PolarHBondContact O-N 3.28Å; E28-V30 PolarHBondContact O-N 3.22Å; E28-D31 PolarHBondContact O-N 3.41Å; E28-I32 HydrophobicContact CG-CD1 4.14Å; E28-I32 VanDerWaalsContact O-CG1 3.29Å; E28-I32 WeakPolarHBondContact O-CG1 3.44Å; E28-I32 PolarHBondContact O-N 3.1Å
29V93.4Very high92.2Very high74 Ų7495.6 Ų95.645%0.44849%0.494SS..Hα-helixtrans-65.5-38.7177.1172.70000111.7Q25 V26 N27 D31 I32 M33Q25-V29 VanDerWaalsContact O-CG2 3.31Å; Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 3Å; V26-V29 PolarHBondContact O-N 3.48Å; N27-V29 PolarHBondContact O-N 3.36Å; V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 2.96Å; V29-I32 PolarHBondContact O-N 2.82Å; V29-M33 HydrophobicContact CG1-CG 4.31Å; V29-M33 WeakPolarHBondContact O-CB 3.48Å; V29-M33 VanDerWaalsContact O-CG 3.3Å; V29-M33 WeakPolarHBondContact O-CG 3.33Å; V29-M33 PolarHBondContact O-N 3.35Å
30V94.4Very high92.9Very high60 Ų6094.4 Ų94.436%0.36449%0.49SS..Hα-helixtrans-62-42.2175167.10000110.5V26 N27 E28 M33 R34V26-V30 HydrophobicContact CG1-CG2 4.23Å; V26-V30 WeakPolarHBondContact O-CB 3.31Å; V26-V30 VanDerWaalsContact O-CG2 3.26Å; V26-V30 WeakPolarHBondContact O-CG2 3.5Å; V26-V30 PolarHBondContact O-N 2.82Å; N27-V30 PolarHBondContact O-N 3.08Å; E28-V30 PolarHBondContact O-N 3.22Å; V30-M33 PolarHBondContact O-N 2.87Å; V30-R34 WeakPolarHBondContact O-CG 3.43Å; V30-R34 PolarHBondContact O-N 3.46Å
31D95.5Very high93.4Very high78 Ų7892.8 Ų92.842%0.41749%0.485SS..Hα-helixtrans-64.9-41.9176.2-68.6-27000111.5N27 E28 V29 M33 R34 V35N27-D31 VanDerWaalsContact O-CG 3.29Å; N27-D31 PolarHBondContact O-N 2.94Å; E28-D31 PolarHBondContact O-N 3.41Å; V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 2.96Å; D31-M33 VanDerWaalsContact C-N 3.34Å; D31-M33 PolarHBondContact O-N 3.47Å; D31-R34 PolarHBondContact O-N 3.35Å; D31-R34 IonicContact OD1-CZ 3.89Å; D31-R34 IonicContact OD1-NH1 2.78Å; D31-R34 PolarHBondContact OD1-NH1 3.25Å; D31-V35 WeakPolarHBondContact O-CG2 3.31Å; D31-V35 PolarHBondContact O-N 2.81Å; D31-V35 VanDerWaalsContact O-N 3.12Å
32I95.5Very high93.9Very high84 Ų8493.1 Ų93.143%0.43149%0.487SS..Hα-helixtrans-60.5-43.2172.4-67.9165.4000111E28 V29 V35 N36E28-I32 HydrophobicContact CG-CD1 4.14Å; E28-I32 VanDerWaalsContact O-CG1 3.29Å; E28-I32 WeakPolarHBondContact O-CG1 3.44Å; E28-I32 PolarHBondContact O-N 3.1Å; V29-I32 PolarHBondContact O-N 2.82Å; I32-V35 PolarHBondContact O-N 3.31Å; I32-N36 WeakPolarHBondContact O-CB 3.32Å; I32-N36 PolarHBondContact O-N 3.31Å; I32-N36 PolarHBondContact O-ND2 3.23Å; I32-N36 PolarHBondContact O-OD1 2.85Å
33M95.2Very high94.3Very high103 Ų10396.7 Ų96.751%0.50749%0.492SS..Hα-helixtrans-67.4-36.9179.4-76-62.3-66.900112.4V29 V30 D31 N36 V37V29-M33 HydrophobicContact CG1-CG 4.31Å; V29-M33 WeakPolarHBondContact O-CB 3.48Å; V29-M33 VanDerWaalsContact O-CG 3.3Å; V29-M33 WeakPolarHBondContact O-CG 3.33Å; V29-M33 PolarHBondContact O-N 3.35Å; V30-M33 PolarHBondContact O-N 2.87Å; D31-M33 VanDerWaalsContact C-N 3.34Å; D31-M33 PolarHBondContact O-N 3.47Å; M33-N36 PolarHBondContact O-N 2.91Å; M33-V37 VanDerWaalsContact O-CG2 3.31Å; M33-V37 WeakPolarHBondContact O-CG2 3.43Å; M33-V37 PolarHBondContact O-N 3.49Å
34R96.5Very high94.8Very high151 Ų15195.6 Ų95.657%0.5749%0.49SS*.Hα-helixtrans-57.7-51.5171.5-74.8172.1178.4151.5-4.3110.6V30 D31 N36 V37 D38V30-R34 WeakPolarHBondContact O-CG 3.43Å; V30-R34 PolarHBondContact O-N 3.46Å; D31-R34 PolarHBondContact O-N 3.35Å; D31-R34 IonicContact OD1-CZ 3.89Å; D31-R34 IonicContact OD1-NH1 2.78Å; D31-R34 PolarHBondContact OD1-NH1 3.25Å; R34-N36 VanDerWaalsContact C-N 3.27Å; R34-N36 PolarHBondContact O-N 3.5Å; R34-V37 PolarHBondContact O-N 2.96Å; R34-V37 VanDerWaalsContact O-N 3.1Å; R34-D38 PolarHBondContact O-N 3Å
35V95.8Very high95Very high72 Ų72100 Ų10044%0.43650%0.499SS..Hα-helixtrans-60.5-37.7176.6174.30000111.5D31 I32 D38 K39D31-V35 WeakPolarHBondContact O-CG2 3.31Å; D31-V35 PolarHBondContact O-N 2.81Å; D31-V35 VanDerWaalsContact O-N 3.12Å; I32-V35 PolarHBondContact O-N 3.31Å; V35-D38 PolarHBondContact O-N 3.12Å; V35-K39 HydrophobicContact CG1-CD 4.18Å; V35-K39 WeakPolarHBondContact O-CB 3.4Å; V35-K39 VanDerWaalsContact O-CG 3.26Å; V35-K39 WeakPolarHBondContact O-CG 3.29Å; V35-K39 PolarHBondContact O-N 3.45Å
36N95.1Very high95.2Very high70 Ų7098.3 Ų98.337%0.37449%0.493SS..Hα-helixtrans-68.6-35.8176.4-71.4-15.6000112.7I32 M33 R34 K39 V40I32-N36 WeakPolarHBondContact O-CB 3.32Å; I32-N36 PolarHBondContact O-N 3.31Å; I32-N36 PolarHBondContact O-ND2 3.23Å; I32-N36 PolarHBondContact O-OD1 2.85Å; M33-N36 PolarHBondContact O-N 2.91Å; R34-N36 VanDerWaalsContact C-N 3.27Å; R34-N36 PolarHBondContact O-N 3.5Å; N36-K39 PolarHBondContact O-N 3.27Å; N36-V40 WeakPolarHBondContact O-CB 3.26Å; N36-V40 PolarHBondContact O-N 3.12Å
37V96.7Very high95.4Very high71 Ų7199.3 Ų99.343%0.4350%0.496SS..Hα-helixtrans-65.7-43174.5167.90000110.3M33 R34 K39 V40 L41M33-V37 VanDerWaalsContact O-CG2 3.31Å; M33-V37 WeakPolarHBondContact O-CG2 3.43Å; M33-V37 PolarHBondContact O-N 3.49Å; R34-V37 PolarHBondContact O-N 2.96Å; R34-V37 VanDerWaalsContact O-N 3.1Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.43Å; V37-V40 WeakPolarHBondContact O-CG1 3.35Å; V37-V40 PolarHBondContact O-N 2.93Å; V37-L41 HydrophobicContact CG1-CD1 3.96Å; V37-L41 WeakPolarHBondContact O-CB 3.5Å; V37-L41 WeakPolarHBondContact O-CG 3.5Å; V37-L41 PolarHBondContact O-N 2.98Å
38D96.4Very high95.4Very high103 Ų10398.5 Ų98.555%0.55150%0.498SS*.Hα-helixtrans-61.1-43.4174.5-64.5-31.4000111R34 V35 V40 L41 E42R34-D38 PolarHBondContact O-N 3Å; V35-D38 PolarHBondContact O-N 3.12Å; D38-V40 PolarHBondContact O-N 2.89Å; D38-L41 PolarHBondContact O-N 3.33Å; D38-E42 PolarHBondContact O-N 3.42Å
39K96.2Very high95.4Very high117 Ų11797.3 Ų97.351%0.50949%0.492SS..Hα-helixtrans-63.5-37.8175.1-74172.1-178.91730113.3V35 N36 V37 R43V35-K39 HydrophobicContact CG1-CD 4.18Å; V35-K39 WeakPolarHBondContact O-CB 3.4Å; V35-K39 VanDerWaalsContact O-CG 3.26Å; V35-K39 WeakPolarHBondContact O-CG 3.29Å; V35-K39 PolarHBondContact O-N 3.45Å; N36-K39 PolarHBondContact O-N 3.27Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.43Å; K39-R43 WeakPolarHBondContact O-CB 3.49Å; K39-R43 PolarHBondContact O-N 2.87Å
40V95.9Very high95.5Very high73 Ų7399 Ų9944%0.44250%0.498SS..Hα-helixtrans-73.3-34.6179.684.40000111.2N36 V37 D38 R43 D44N36-V40 WeakPolarHBondContact O-CB 3.26Å; N36-V40 PolarHBondContact O-N 3.12Å; V37-V40 WeakPolarHBondContact O-CG1 3.35Å; V37-V40 PolarHBondContact O-N 2.93Å; D38-V40 PolarHBondContact O-N 2.89Å; V40-R43 WeakPolarHBondContact O-CB 3.46Å; V40-R43 PolarHBondContact O-N 3.27Å; V40-D44 WeakPolarHBondContact O-CB 3.48Å; V40-D44 PolarHBondContact O-N 3.33Å
41L94.8Very high95.5Very high93 Ų93101 Ų10149%0.48751%0.507SS..Hα-helixtrans-67.1-40.4173.3-73.1165.9000111.8V37 D38 R43 D44 K45V37-L41 HydrophobicContact CG1-CD1 3.96Å; V37-L41 WeakPolarHBondContact O-CB 3.5Å; V37-L41 WeakPolarHBondContact O-CG 3.5Å; V37-L41 PolarHBondContact O-N 2.98Å; D38-L41 PolarHBondContact O-N 3.33Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-D44 WeakPolarHBondContact O-CB 3.27Å; L41-D44 PolarHBondContact O-N 2.81Å; L41-K45 WeakPolarHBondContact O-CG 3.48Å; L41-K45 PolarHBondContact O-N 3.44Å; L41-K45 VanDerWaalsContact O-N 3.12Å
42E96.1Very high95.4Very high124 Ų12499.2 Ų99.258%0.57951%0.507SS*.Hα-helixtrans-66.7-38.2173.1-175.9163.9-15800111.6D38 D44 K45 N46D38-E42 PolarHBondContact O-N 3.42Å; E42-D44 VanDerWaalsContact C-N 3.33Å; E42-D44 PolarHBondContact O-N 3.47Å; E42-K45 PolarHBondContact O-N 3.03Å; E42-N46 WeakPolarHBondContact O-CB 3.44Å; E42-N46 PolarHBondContact O-N 3.13Å; E42-N46 PolarHBondContact O-ND2 3.47Å
43R95.6Very high95.4Very high150 Ų150102.8 Ų102.857%0.56652%0.515SS*.Hα-helixtrans-60.8-42171.7-173.4-174.6-62.3142.82.2111.8K39 V40 L41 N46 L47K39-R43 WeakPolarHBondContact O-CB 3.49Å; K39-R43 PolarHBondContact O-N 2.87Å; V40-R43 WeakPolarHBondContact O-CB 3.46Å; V40-R43 PolarHBondContact O-N 3.27Å; L41-R43 VanDerWaalsContact C-N 3.34Å; R43-N46 PolarHBondContact O-N 3.48Å; R43-L47 HydrophobicContact CG-CD1 4Å; R43-L47 HydrophobicContact CG-CG 4.28Å; R43-L47 WeakPolarHBondContact O-CB 3.35Å; R43-L47 VanDerWaalsContact O-CG 3.28Å; R43-L47 WeakPolarHBondContact O-CG 3.35Å; R43-L47 PolarHBondContact O-N 3.39Å
44D95.7Very high95.4Very high106 Ų106100.2 Ų100.257%0.56751%0.51SS*.Hα-helixtrans-61.1-45.2178.3-171.472000111.8V40 L41 E42 L47 S48V40-D44 WeakPolarHBondContact O-CB 3.48Å; V40-D44 PolarHBondContact O-N 3.33Å; L41-D44 WeakPolarHBondContact O-CB 3.27Å; L41-D44 PolarHBondContact O-N 2.81Å; E42-D44 VanDerWaalsContact C-N 3.33Å; E42-D44 PolarHBondContact O-N 3.47Å; D44-L47 PolarHBondContact O-N 3.38Å; D44-S48 PolarHBondContact O-N 3Å
45K95.6Very high95.4Very high150 Ų15097.5 Ų97.565%0.65251%0.507SS*.Hα-helixtrans-59.7-48.2173.3-69.4172.6-176.1165.30112.4L41 E42 L47 S48 E49L41-K45 WeakPolarHBondContact O-CG 3.48Å; L41-K45 PolarHBondContact O-N 3.44Å; L41-K45 VanDerWaalsContact O-N 3.12Å; E42-K45 PolarHBondContact O-N 3.03Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 2.97Å; K45-S48 PolarHBondContact O-N 3.17Å; K45-E49 PolarHBondContact O-N 2.92Å
46N95Very high95.4Very high85 Ų8597.2 Ų97.246%0.45551%0.512SS..Hα-helixtrans-63-37.8178-75-47.1000111.8E42 R43 E49 L50E42-N46 WeakPolarHBondContact O-CB 3.44Å; E42-N46 PolarHBondContact O-N 3.13Å; E42-N46 PolarHBondContact O-ND2 3.47Å; R43-N46 PolarHBondContact O-N 3.48Å; N46-E49 PolarHBondContact O-N 3.42Å; N46-L50 WeakPolarHBondContact O-CB 3.28Å; N46-L50 PolarHBondContact O-N 2.81Å
47L95.2Very high95.4Very high98 Ų98100 Ų10051%0.51353%0.527SS..Hα-helixtrans-65.9-43.6175.5-79171.4000111.4R43 D44 K45 E49 L50 D51R43-L47 HydrophobicContact CG-CD1 4Å; R43-L47 HydrophobicContact CG-CG 4.28Å; R43-L47 WeakPolarHBondContact O-CB 3.35Å; R43-L47 VanDerWaalsContact O-CG 3.28Å; R43-L47 WeakPolarHBondContact O-CG 3.35Å; R43-L47 PolarHBondContact O-N 3.39Å; D44-L47 PolarHBondContact O-N 3.38Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 2.97Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.77Å; L47-L50 CarbonylContact O-C 3.59Å; L47-L50 PolarHBondContact O-N 3.48Å; L47-L50 VanDerWaalsContact O-N 3.17Å; L47-D51 VanDerWaalsContact O-CB 3.27Å; L47-D51 WeakPolarHBondContact O-CB 3.38Å; L47-D51 PolarHBondContact O-N 3.33Å
48S94.6Very high95.3Very high84 Ų84103.3 Ų103.359%0.58754%0.537SS*.Hα-helixtrans-61.5-39176.2-179.20000112D44 K45 G52D44-S48 PolarHBondContact O-N 3Å; K45-S48 PolarHBondContact O-N 3.17Å; S48-G52 PolarHBondContact O-N 2.63Å; S48-G52 VanDerWaalsContact O-N 3.13Å
49E95.2Very high95.2Very high97 Ų97101.5 Ų101.545%0.45354%0.536SS..Hα-helixtrans-67.1-43172.6-175.6177.8-172.500112K45 N46 L47 D51 G52 R53K45-E49 PolarHBondContact O-N 2.92Å; N46-E49 PolarHBondContact O-N 3.42Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 2.77Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 2.87Å; E49-G52 PolarHBondContact O-N 3.17Å; E49-R53 WeakPolarHBondContact O-CB 3.43Å; E49-R53 VanDerWaalsContact O-CG 3.3Å; E49-R53 WeakPolarHBondContact O-CG 3.3Å; E49-R53 PolarHBondContact O-N 3.3Å; E49-R53 IonicContact OE1-CZ 3.16Å; E49-R53 IonicContact OE1-NE 3.17Å; E49-R53 PolarHBondContact OE1-NE 3.32Å; E49-R53 IonicContact OE1-NH2 2.63Å; E49-R53 PolarHBondContact OE1-NH2 3.45Å
50L94.9Very high95.2Very high109 Ų10997.6 Ų97.657%0.57153%0.529SS*.Hα-helixtrans-63.6-38.5177.7-125.771.3000111.9N46 L47 R53 A54N46-L50 WeakPolarHBondContact O-CB 3.28Å; N46-L50 PolarHBondContact O-N 2.81Å; L47-L50 CarbonylContact O-C 3.59Å; L47-L50 PolarHBondContact O-N 3.48Å; L47-L50 VanDerWaalsContact O-N 3.17Å; L50-R53 CarbonylContact O-C 3.58Å; L50-R53 PolarHBondContact O-N 2.87Å; L50-A54 WeakPolarHBondContact O-CA 3.49Å; L50-A54 WeakPolarHBondContact O-CB 3.28Å; L50-A54 PolarHBondContact O-N 2.84Å
51D94.3Very high95.1Very high103 Ų10396.5 Ų96.555%0.55153%0.528SS*.Hα-helixtrans-63.6-50177.8-167.157.4000110.3L47 E49 R53 A54 D55L47-D51 VanDerWaalsContact O-CB 3.27Å; L47-D51 WeakPolarHBondContact O-CB 3.38Å; L47-D51 PolarHBondContact O-N 3.33Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 2.87Å; D51-R53 VanDerWaalsContact C-N 3.33Å; D51-R53 PolarHBondContact O-N 2.94Å; D51-A54 WeakPolarHBondContact O-CB 3.35Å; D51-A54 PolarHBondContact O-N 3.45Å; D51-A54 VanDerWaalsContact O-N 3.08Å; D51-D55 PolarHBondContact O-N 3.08Å
52G93.8Very high95Very high41 Ų4195.3 Ų95.342%0.42353%0.528SS..Hα-helixtrans-61.3-38.4174.100000113.5S48 E49 A56S48-G52 PolarHBondContact O-N 2.63Å; S48-G52 VanDerWaalsContact O-N 3.13Å; E49-G52 PolarHBondContact O-N 3.17Å; G52-A56 PolarHBondContact O-N 3.44Å; G52-A56 VanDerWaalsContact O-N 3.14Å
53R94.8Very high94.8Very high158 Ų15896.1 Ų96.160%0.59653%0.532SS*.Hα-helixtrans-68.7-36.5173.1-72.8177.9-178.6-158.72.7112.1E49 L50 D51 A56 L57E49-R53 WeakPolarHBondContact O-CB 3.43Å; E49-R53 VanDerWaalsContact O-CG 3.3Å; E49-R53 WeakPolarHBondContact O-CG 3.3Å; E49-R53 PolarHBondContact O-N 3.3Å; E49-R53 IonicContact OE1-CZ 3.16Å; E49-R53 IonicContact OE1-NE 3.17Å; E49-R53 PolarHBondContact OE1-NE 3.32Å; E49-R53 IonicContact OE1-NH2 2.63Å; E49-R53 PolarHBondContact OE1-NH2 3.45Å; L50-R53 CarbonylContact O-C 3.58Å; L50-R53 PolarHBondContact O-N 2.87Å; D51-R53 VanDerWaalsContact C-N 3.33Å; D51-R53 PolarHBondContact O-N 2.94Å; R53-A56 PolarHBondContact O-N 3.14Å; R53-L57 VanDerWaalsContact O-CB 3.28Å; R53-L57 WeakPolarHBondContact O-CB 3.49Å; R53-L57 PolarHBondContact O-N 2.72Å
54A96.1Very high94.6Very high49 Ų4996.3 Ų96.341%0.40554%0.537SS..Hα-helixtrans-68.9-40.3178.700000110.9L50 D51 L57 Q58L50-A54 WeakPolarHBondContact O-CA 3.49Å; L50-A54 WeakPolarHBondContact O-CB 3.28Å; L50-A54 PolarHBondContact O-N 2.84Å; D51-A54 WeakPolarHBondContact O-CB 3.35Å; D51-A54 PolarHBondContact O-N 3.45Å; D51-A54 VanDerWaalsContact O-N 3.08Å; A54-L57 CarbonylContact O-C 3.59Å; A54-L57 PolarHBondContact O-N 3.38Å; A54-Q58 WeakPolarHBondContact O-CB 3.22Å; A54-Q58 PolarHBondContact O-N 3.4Å
55D95.6Very high94.3Very high95 Ų9598.1 Ų98.151%0.50854%0.542SS..Hα-helixtrans-60.5-47.1171.6-82.6-18000111.5D51 L57 Q58 A59D51-D55 PolarHBondContact O-N 3.08Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 3.35Å; D55-Q58 PolarHBondContact O-N 2.84Å; D55-A59 WeakPolarHBondContact O-CB 3.14Å; D55-A59 PolarHBondContact O-N 3.29Å
56A95Very high94Very high65 Ų6593.3 Ų93.354%0.53753%0.53SS..Hα-helixtrans-61.5-42.1175.900000111.7G52 R53 G60G52-A56 PolarHBondContact O-N 3.44Å; G52-A56 VanDerWaalsContact O-N 3.14Å; R53-A56 PolarHBondContact O-N 3.14Å; A56-G60 PolarHBondContact O-N 2.72Å
57L95.2Very high93.6Very high129 Ų12991.9 Ų91.968%0.67553%0.526SS*.Hα-helixtrans-67-41.7176.9-17764.1000111.5R53 A54 D55 G60 A61R53-L57 VanDerWaalsContact O-CB 3.28Å; R53-L57 WeakPolarHBondContact O-CB 3.49Å; R53-L57 PolarHBondContact O-N 2.72Å; A54-L57 CarbonylContact O-C 3.59Å; A54-L57 PolarHBondContact O-N 3.38Å; D55-L57 VanDerWaalsContact C-N 3.32Å; D55-L57 PolarHBondContact O-N 3.35Å; L57-G60 PolarHBondContact O-N 2.72Å; L57-A61 WeakPolarHBondContact O-CB 3.31Å; L57-A61 PolarHBondContact O-N 2.83Å
58Q95.7Very high93.3Very high141 Ų14188.4 Ų88.466%0.65951%0.512SS*.Hα-helixtrans-64.4-43.9177.8177.9173.4-4500110.7A54 D55 A61 S62A54-Q58 WeakPolarHBondContact O-CB 3.22Å; A54-Q58 PolarHBondContact O-N 3.4Å; D55-Q58 PolarHBondContact O-N 2.84Å; Q58-A61 PolarHBondContact O-N 2.91Å; Q58-S62 VanDerWaalsContact O-CB 3.31Å; Q58-S62 WeakPolarHBondContact O-CB 3.45Å; Q58-S62 PolarHBondContact O-N 3.35Å
59A94.6Very high93Very high64 Ų6486.4 Ų86.453%0.52950%0.504SS..Hα-helixtrans-62.4-45.9174.300000111.4D55 S62 Q63D55-A59 WeakPolarHBondContact O-CB 3.14Å; D55-A59 PolarHBondContact O-N 3.29Å; A59-S62 PolarHBondContact O-N 3.41Å; A59-Q63 WeakPolarHBondContact O-CB 3.13Å; A59-Q63 PolarHBondContact O-N 2.95Å
60G94.7Very high92.6Very high35 Ų3588.7 Ų88.736%0.36151%0.513SS..Hα-helixtrans-62.6-41.8175.400000112.9A56 L57 Q63 F64A56-G60 PolarHBondContact O-N 2.72Å; L57-G60 PolarHBondContact O-N 2.72Å; G60-Q63 PolarHBondContact O-N 2.93Å; G60-F64 VanDerWaalsContact O-CB 3.3Å; G60-F64 WeakPolarHBondContact O-CB 3.26Å; G60-F64 PolarHBondContact O-N 2.89Å
61A94.9Very high92.1Very high50 Ų5088.2 Ų88.241%0.41351%0.51SS..Hα-helixtrans-66.9-41.2177.200000111.5L57 Q58 F64 E65L57-A61 WeakPolarHBondContact O-CB 3.31Å; L57-A61 PolarHBondContact O-N 2.83Å; Q58-A61 PolarHBondContact O-N 2.91Å; A61-F64 CarbonylContact O-C 3.58Å; A61-F64 PolarHBondContact O-N 3.41Å; A61-E65 VanDerWaalsContact O-CB 3.3Å; A61-E65 WeakPolarHBondContact O-CB 3.3Å; A61-E65 PolarHBondContact O-N 2.75Å
62S92Very high91.7Very high69 Ų6991 Ų9148%0.48352%0.518SS..Hα-helixtrans-64.5-41.9174.6-176.50000111.5Q58 A59 E65 A66Q58-S62 VanDerWaalsContact O-CB 3.31Å; Q58-S62 WeakPolarHBondContact O-CB 3.45Å; Q58-S62 PolarHBondContact O-N 3.35Å; A59-S62 PolarHBondContact O-N 3.41Å; S62-E65 PolarHBondContact O-N 3.3Å; S62-A66 WeakPolarHBondContact O-CB 3.24Å; S62-A66 PolarHBondContact O-N 2.81Å
63Q92.4Very high91.5Very high141 Ų14197.6 Ų97.666%0.65953%0.53SS*.Hα-helixtrans-64.9-40.9173.6-174.9176.470.300111.9A59 G60 S67A59-Q63 WeakPolarHBondContact O-CB 3.13Å; A59-Q63 PolarHBondContact O-N 2.95Å; G60-Q63 PolarHBondContact O-N 2.93Å; Q63-S67 VanDerWaalsContact O-CB 3.26Å; Q63-S67 WeakPolarHBondContact O-CB 3.3Å; Q63-S67 PolarHBondContact O-N 3.41Å; Q63-S67 PolarHBondContact O-OG 3.21Å
64F91.1Very high91.1Very high154 Ų15497.1 Ų97.168%0.67553%0.532SS*.Hα-helixtrans-64.4-44175.1-179.1-98.3000111.4G60 A61 S67 A68G60-F64 VanDerWaalsContact O-CB 3.3Å; G60-F64 WeakPolarHBondContact O-CB 3.26Å; G60-F64 PolarHBondContact O-N 2.89Å; A61-F64 CarbonylContact O-C 3.58Å; A61-F64 PolarHBondContact O-N 3.41Å; F64-S67 PolarHBondContact O-N 2.7Å; F64-A68 HydrophobicContact CD1-CB 4.48Å; F64-A68 HydrophobicContact CE1-CB 4.25Å; F64-A68 WeakPolarHBondContact O-CA 3.32Å; F64-A68 WeakPolarHBondContact O-CB 3.49Å; F64-A68 PolarHBondContact O-N 2.8Å
65E90.5Very high90.7Very high143 Ų143100.2 Ų100.267%0.66854%0.537SS*.Hα-helixtrans-60.6-50.3175.8-176.6-173-173.100110.8A61 S62 S67 A68 G69A61-E65 VanDerWaalsContact O-CB 3.3Å; A61-E65 WeakPolarHBondContact O-CB 3.3Å; A61-E65 PolarHBondContact O-N 2.75Å; S62-E65 PolarHBondContact O-N 3.3Å; E65-S67 VanDerWaalsContact C-N 3.26Å; E65-S67 PolarHBondContact O-N 3.32Å; E65-A68 PolarHBondContact O-N 2.8Å; E65-G69 PolarHBondContact O-N 2.74Å
66A89.5Confident90.5Very high49 Ų49105.1 Ų105.141%0.40555%0.548SS..Hα-helixtrans-59.2-39.4177.600000111.7S62 K70S62-A66 WeakPolarHBondContact O-CB 3.24Å; S62-A66 PolarHBondContact O-N 2.81Å; A66-K70 WeakPolarHBondContact O-CB 3.11Å; A66-K70 WeakPolarHBondContact O-CD 3.34Å; A66-K70 VanDerWaalsContact O-CG 3.24Å; A66-K70 WeakPolarHBondContact O-CG 3.22Å; A66-K70 PolarHBondContact O-N 3.31Å
67S85.9Confident90.3Very high55 Ų55111.1 Ų111.139%0.38556%0.557SS.*Hα-helixtrans-71.7-47.5177.5-59.20000111.6Q63 F64 E65 G69 K70 L71Q63-S67 VanDerWaalsContact O-CB 3.26Å; Q63-S67 WeakPolarHBondContact O-CB 3.3Å; Q63-S67 PolarHBondContact O-N 3.41Å; Q63-S67 PolarHBondContact O-OG 3.21Å; F64-S67 PolarHBondContact O-N 2.7Å; E65-S67 VanDerWaalsContact C-N 3.26Å; E65-S67 PolarHBondContact O-N 3.32Å; S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 3.47Å; S67-K70 PolarHBondContact O-N 3.46Å; S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 WeakPolarHBondContact O-CD1 3.39Å; S67-L71 PolarHBondContact O-N 3.29Å
68A89.5Confident90.1Very high26 Ų26110.5 Ų110.522%0.21555%0.549CS..Hα-helixtrans-62.1-40.1178.900000111.5F64 E65 L71 K72F64-A68 HydrophobicContact CD1-CB 4.48Å; F64-A68 HydrophobicContact CE1-CB 4.25Å; F64-A68 WeakPolarHBondContact O-CA 3.32Å; F64-A68 WeakPolarHBondContact O-CB 3.49Å; F64-A68 PolarHBondContact O-N 2.8Å; E65-A68 PolarHBondContact O-N 2.8Å; A68-L71 PolarHBondContact O-N 2.87Å; A68-K72 WeakPolarHBondContact O-CB 3.29Å; A68-K72 VanDerWaalsContact O-CG 3.29Å; A68-K72 WeakPolarHBondContact O-CG 3.35Å; A68-K72 PolarHBondContact O-N 2.82Å
69G88Confident89.9Confident41 Ų41108.6 Ų108.642%0.42354%0.543SS..Hα-helixtrans-63.4-46.8174.500000112.3E65 S67 K72 R73E65-G69 PolarHBondContact O-N 2.74Å; S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 3.47Å; G69-K72 PolarHBondContact O-N 2.9Å; G69-R73 PolarHBondContact O-N 3.27Å
70K86.2Confident89.8Confident146 Ų146109.5 Ų109.564%0.63555%0.545SS*.Hα-helixtrans-63.7-41.3175.1-72.2172.2-173.8174.80112A66 S67 R73 K74A66-K70 WeakPolarHBondContact O-CB 3.11Å; A66-K70 WeakPolarHBondContact O-CD 3.34Å; A66-K70 VanDerWaalsContact O-CG 3.24Å; A66-K70 WeakPolarHBondContact O-CG 3.22Å; A66-K70 PolarHBondContact O-N 3.31Å; S67-K70 PolarHBondContact O-N 3.46Å; K70-R73 PolarHBondContact O-N 3.07Å; K70-K74 WeakPolarHBondContact O-CB 3.5Å; K70-K74 PolarHBondContact O-N 3.44Å
71L84.7Confident89.8Confident98 Ų98115.3 Ų115.351%0.51356%0.56SS.*Hα-helixtrans-63.1-49.7176.5-97.862.6000110.8S67 A68 R73 K74 F75S67-L71 WeakPolarHBondContact O-CB 3.48Å; S67-L71 WeakPolarHBondContact O-CD1 3.39Å; S67-L71 PolarHBondContact O-N 3.29Å; A68-L71 PolarHBondContact O-N 2.87Å; L71-R73 VanDerWaalsContact C-N 3.32Å; L71-R73 PolarHBondContact O-N 3.17Å; L71-K74 PolarHBondContact O-N 3.23Å; L71-F75 WeakPolarHBondContact O-CB 3.34Å; L71-F75 WeakPolarHBondContact O-CD2 3.43Å; L71-F75 PolarHBondContact O-N 3.43Å
72K86.4Confident89.7Confident162 Ų162118.9 Ų118.970%0.70457%0.57SS**Hα-helixtrans-53.1-50.9176.2-80.4-179.2179.8-178.10110.6A68 G69 F75 W76A68-K72 WeakPolarHBondContact O-CB 3.29Å; A68-K72 VanDerWaalsContact O-CG 3.29Å; A68-K72 WeakPolarHBondContact O-CG 3.35Å; A68-K72 PolarHBondContact O-N 2.82Å; G69-K72 PolarHBondContact O-N 2.9Å; K72-F75 PolarHBondContact O-N 3.07Å; K72-W76 WeakPolarHBondContact O-CB 3.38Å; K72-W76 PolarHBondContact O-N 3.45Å
73R88.5Confident89.9Confident179 Ų179121.6 Ų121.668%0.67558%0.578SS**Hα-helixtrans-62.4-48.9179.1-164.6164.775.6-179.44.9111.6G69 K70 L71 F75 W76 W77G69-R73 PolarHBondContact O-N 3.27Å; K70-R73 PolarHBondContact O-N 3.07Å; L71-R73 VanDerWaalsContact C-N 3.32Å; L71-R73 PolarHBondContact O-N 3.17Å; R73-F75 VanDerWaalsContact C-N 3.34Å; R73-F75 PolarHBondContact O-N 3.24Å; R73-W76 PolarHBondContact O-N 3.36Å; R73-W77 PolarHBondContact O-N 3.36Å; R73-W77 VanDerWaalsContact O-N 3.17Å
74K87.3Confident90Very high149 Ų149117.6 Ų117.665%0.64857%0.569SS**Hα-helixtrans-60.3-42.1-179.4-169.6174.5-175.7177.60112.2K70 L71 K78K70-K74 WeakPolarHBondContact O-CB 3.5Å; K70-K74 PolarHBondContact O-N 3.44Å; L71-K74 PolarHBondContact O-N 3.23Å; K74-K78 HydrophobicContact CG-CD 4.5Å; K74-K78 WeakPolarHBondContact O-CB 3.32Å; K74-K78 VanDerWaalsContact O-CG 3.32Å; K74-K78 WeakPolarHBondContact O-CG 3.39Å; K74-K78 PolarHBondContact O-N 3.45Å; K74-K78 VanDerWaalsContact O-N 3.07Å
75F87.8Confident90.3Very high114 Ų114113.8 Ų113.850%0.556%0.559SS.*Hα-helixtrans-68.3-39.1177.4-91.8-86.7000112.6L71 K72 R73 W77 K78 N79L71-F75 WeakPolarHBondContact O-CB 3.34Å; L71-F75 WeakPolarHBondContact O-CD2 3.43Å; L71-F75 PolarHBondContact O-N 3.43Å; K72-F75 PolarHBondContact O-N 3.07Å; R73-F75 VanDerWaalsContact C-N 3.34Å; R73-F75 PolarHBondContact O-N 3.24Å; F75-W77 PolarHBondContact O-N 2.84Å; F75-K78 PolarHBondContact O-N 2.95Å; F75-N79 WeakPolarHBondContact O-CB 3.48Å; F75-N79 VanDerWaalsContact O-CG 3.25Å; F75-N79 PolarHBondContact O-N 3.27Å
76W89.9Confident90.5Very high198 Ų198112 Ų11275%0.7555%0.553SS**Hα-helixtrans-60.9-45.9179-140.871000111.9K72 R73 N79 C80K72-W76 WeakPolarHBondContact O-CB 3.38Å; K72-W76 PolarHBondContact O-N 3.45Å; R73-W76 PolarHBondContact O-N 3.36Å; W76-N79 PolarHBondContact O-N 2.97Å; W76-C80 WeakPolarHBondContact O-CB 3.38Å; W76-C80 PolarHBondContact O-N 2.98Å
77W91.3Very high90.9Very high190 Ų190111.3 Ų111.372%0.7255%0.551SS**Hα-helixtrans-66.6-40.4176.1-76.272.4000112.4R73 F75 K81R73-W77 PolarHBondContact O-N 3.36Å; R73-W77 VanDerWaalsContact O-N 3.17Å; F75-W77 PolarHBondContact O-N 2.84Å; W77-K81 WeakPolarHBondContact O-CB 3.26Å; W77-K81 PolarHBondContact O-N 2.89Å
78K91.1Very high91.4Very high116 Ų116112.9 Ų112.950%0.50456%0.558SS.*Hα-helixtrans-61.5-46.5174.7-77.7-177.3701790111.7K74 F75 K81 M82K74-K78 HydrophobicContact CG-CD 4.5Å; K74-K78 WeakPolarHBondContact O-CB 3.32Å; K74-K78 VanDerWaalsContact O-CG 3.32Å; K74-K78 WeakPolarHBondContact O-CG 3.39Å; K74-K78 PolarHBondContact O-N 3.45Å; K74-K78 VanDerWaalsContact O-N 3.07Å; F75-K78 PolarHBondContact O-N 2.95Å; K78-K81 PolarHBondContact O-N 2.97Å; K78-M82 WeakPolarHBondContact O-CB 3.36Å; K78-M82 VanDerWaalsContact O-CG 3.26Å; K78-M82 WeakPolarHBondContact O-CG 3.29Å; K78-M82 PolarHBondContact O-N 3.49Å
79N92Very high91.8Very high101 Ų101116.2 Ų116.254%0.5457%0.571SS.*Hα-helixtrans-65.3-42.9-179.7-71.1-10.8000111.4F75 W76 M82 L83F75-N79 WeakPolarHBondContact O-CB 3.48Å; F75-N79 VanDerWaalsContact O-CG 3.25Å; F75-N79 PolarHBondContact O-N 3.27Å; W76-N79 PolarHBondContact O-N 2.97Å; N79-M82 PolarHBondContact O-N 3.48Å; N79-L83 WeakPolarHBondContact O-CB 3.35Å; N79-L83 PolarHBondContact O-N 3.38Å
80C92.1Very high92.3Very high83 Ų83117.7 Ų117.756%0.56157%0.572SS**Hα-helixtrans-60.8-46.8175-177.20000111.7W76 M82 L83 A84W76-C80 WeakPolarHBondContact O-CB 3.38Å; W76-C80 PolarHBondContact O-N 2.98Å; C80-M82 PolarHBondContact O-N 3.43Å; C80-L83 PolarHBondContact O-N 3.36Å; C80-A84 PolarHBondContact O-N 2.86Å
81K94Very high92.8Very high157 Ų157114.6 Ų114.668%0.68357%0.566SS**Hα-helixtrans-63.6-41.2176.9-172.3179.1170.389.30112W77 K78 A84 V85W77-K81 WeakPolarHBondContact O-CB 3.26Å; W77-K81 PolarHBondContact O-N 2.89Å; K78-K81 PolarHBondContact O-N 2.97Å; K81-A84 PolarHBondContact O-N 3.32Å; K81-V85 VanDerWaalsContact O-CG2 3.29Å; K81-V85 WeakPolarHBondContact O-CG2 3.42Å; K81-V85 PolarHBondContact O-N 3.38Å
82M93.5Very high93.5Very high126 Ų126114.3 Ų114.362%0.62156%0.563SS**Hα-helixtrans-63.6-41.7176-76.7-61.1-61.400112K78 N79 C80 V85 L86K78-M82 WeakPolarHBondContact O-CB 3.36Å; K78-M82 VanDerWaalsContact O-CG 3.26Å; K78-M82 WeakPolarHBondContact O-CG 3.29Å; K78-M82 PolarHBondContact O-N 3.49Å; N79-M82 PolarHBondContact O-N 3.48Å; C80-M82 PolarHBondContact O-N 3.43Å; M82-V85 PolarHBondContact O-N 3.01Å; M82-L86 WeakPolarHBondContact O-CB 3.37Å; M82-L86 PolarHBondContact O-N 3.4Å
83L95.2Very high94Very high125 Ų125111.7 Ų111.765%0.65456%0.556SS**Hα-helixtrans-64.3-42.4176.7-173.367.7000111.4N79 C80 L86 G87N79-L83 WeakPolarHBondContact O-CB 3.35Å; N79-L83 PolarHBondContact O-N 3.38Å; C80-L83 PolarHBondContact O-N 3.36Å; L83-L86 PolarHBondContact O-N 2.91Å; L83-G87 PolarHBondContact O-N 3.36Å
84A96.2Very high94.5Very high58 Ų58107.3 Ų107.348%0.47955%0.546SS..Hα-helixtrans-62.3-44.9175.700000112C80 K81 L86 G87 V88C80-A84 PolarHBondContact O-N 2.86Å; K81-A84 PolarHBondContact O-N 3.32Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-L86 PolarHBondContact O-N 2.97Å; A84-G87 PolarHBondContact O-N 2.94Å; A84-V88 WeakPolarHBondContact O-CG2 3.3Å; A84-V88 PolarHBondContact O-N 3.47Å
85V96Very high95Very high74 Ų74104.8 Ų104.845%0.44854%0.538SS..Hα-helixtrans-61.4-43176.3169.80000111.3K81 M82 V88 L89K81-V85 VanDerWaalsContact O-CG2 3.29Å; K81-V85 WeakPolarHBondContact O-CG2 3.42Å; K81-V85 PolarHBondContact O-N 3.38Å; M82-V85 PolarHBondContact O-N 3.01Å; V85-V88 PolarHBondContact O-N 2.98Å; V85-L89 HydrophobicContact CG1-CD1 4.3Å; V85-L89 PolarHBondContact O-N 3.39Å
86L95.9Very high95.4Very high104 Ų104103.7 Ų103.755%0.54554%0.541SS..Hα-helixtrans-61.4-44.4175.5-178.363.8000111.5M82 L83 A84 V88 L89 V90M82-L86 WeakPolarHBondContact O-CB 3.37Å; M82-L86 PolarHBondContact O-N 3.4Å; L83-L86 PolarHBondContact O-N 2.91Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-L86 PolarHBondContact O-N 2.97Å; L86-V88 PolarHBondContact O-N 3.26Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 3.06Å; L86-V90 WeakPolarHBondContact O-CG2 3.37Å; L86-V90 PolarHBondContact O-N 3.26Å
87G96.5Very high95.7Very high35 Ų3599.2 Ų99.236%0.36153%0.531SS..Hα-helixtrans-59.9-45176.500000112.6L83 A84 L89 V90 V91L83-G87 PolarHBondContact O-N 3.36Å; A84-G87 PolarHBondContact O-N 2.94Å; G87-L89 VanDerWaalsContact C-N 3.35Å; G87-L89 PolarHBondContact O-N 3.49Å; G87-V90 PolarHBondContact O-N 2.98Å; G87-V91 WeakPolarHBondContact O-CG2 3.34Å; G87-V91 PolarHBondContact O-N 3.27Å
88V97.8Very high96Very high88 Ų8894.9 Ų94.953%0.53352%0.521SS..Hα-helixtrans-61.4-43.2176.21720000111.4A84 V85 L86 V90 V91 I92A84-V88 WeakPolarHBondContact O-CG2 3.3Å; A84-V88 PolarHBondContact O-N 3.47Å; V85-V88 PolarHBondContact O-N 2.98Å; L86-V88 PolarHBondContact O-N 3.26Å; V88-V90 VanDerWaalsContact C-N 3.35Å; V88-V90 PolarHBondContact O-N 2.95Å; V88-V91 PolarHBondContact O-N 3.45Å; V88-I92 HydrophobicContact CG1-CD1 3.82Å; V88-I92 HydrophobicContact CG1-CG1 4.42Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.32Å; V88-I92 PolarHBondContact O-N 3.03Å
89L97.4Very high96.2Very high96 Ų9693.3 Ų93.350%0.50352%0.521SS..Hα-helixtrans-57.6-46175.4-103.4153.6000112.1V85 L86 G87 I92 L93V85-L89 HydrophobicContact CG1-CD1 4.3Å; V85-L89 PolarHBondContact O-N 3.39Å; L86-L89 WeakPolarHBondContact O-CB 3.39Å; L86-L89 PolarHBondContact O-N 3.06Å; G87-L89 VanDerWaalsContact C-N 3.35Å; G87-L89 PolarHBondContact O-N 3.49Å; L89-I92 PolarHBondContact O-N 3.37Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.28Å
90V97.9Very high96.4Very high72 Ų7296.9 Ų96.944%0.43653%0.527SS..Hα-helixtrans-63.4-42.9177.2174.60000111.3L86 G87 V88 I92 L93 I94L86-V90 WeakPolarHBondContact O-CG2 3.37Å; L86-V90 PolarHBondContact O-N 3.26Å; G87-V90 PolarHBondContact O-N 2.98Å; V88-V90 VanDerWaalsContact C-N 3.35Å; V88-V90 PolarHBondContact O-N 2.95Å; V90-I92 PolarHBondContact O-N 2.97Å; V90-L93 PolarHBondContact O-N 2.94Å; V90-I94 HydrophobicContact CG1-CD1 3.86Å; V90-I94 HydrophobicContact CG1-CG1 4.44Å; V90-I94 WeakPolarHBondContact O-CG1 3.41Å; V90-I94 PolarHBondContact O-N 3.48Å
91V98.1Very high96.6Very high82 Ų8297 Ų9750%0.49753%0.525SS..Hα-helixtrans-61.4-43.3177.41710000111.4G87 V88 L93 I94 I95G87-V91 WeakPolarHBondContact O-CG2 3.34Å; G87-V91 PolarHBondContact O-N 3.27Å; V88-V91 PolarHBondContact O-N 3.45Å; V91-L93 PolarHBondContact O-N 2.95Å; V91-I94 PolarHBondContact O-N 3.26Å; V91-I95 HydrophobicContact CG1-CD1 3.85Å; V91-I95 HydrophobicContact CG1-CG1 4.46Å; V91-I95 WeakPolarHBondContact O-CG1 3.38Å; V91-I95 PolarHBondContact O-N 3.25Å
92I98.1Very high96.6Very high91 Ų9194 Ų9447%0.46752%0.519SS..Hα-helixtrans-60.5-45.8176.4-68.3165.7000110.6V88 L89 V90 I94 I95 V96V88-I92 HydrophobicContact CG1-CD1 3.82Å; V88-I92 HydrophobicContact CG1-CG1 4.42Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.32Å; V88-I92 PolarHBondContact O-N 3.03Å; L89-I92 PolarHBondContact O-N 3.37Å; V90-I92 PolarHBondContact O-N 2.97Å; I92-I94 VanDerWaalsContact C-N 3.32Å; I92-I94 PolarHBondContact O-N 3.42Å; I92-I95 PolarHBondContact O-N 3.46Å; I92-V96 WeakPolarHBondContact O-CG2 3.32Å; I92-V96 PolarHBondContact O-N 3.26Å
93L97.7Very high96.6Very high107 Ų10790.8 Ų90.856%0.5651%0.509SS*.Hα-helixtrans-60.5-41.6177.2-70.1176000111.9L89 V90 V91 V96 L97L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.28Å; V90-L93 PolarHBondContact O-N 2.94Å; V91-L93 PolarHBondContact O-N 2.95Å; L93-V96 PolarHBondContact O-N 2.97Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 3.4Å
94I98Very high96.5Very high88 Ų8888.7 Ų88.745%0.45150%0.496SS..Hα-helixtrans-62.9-44.7176.4-69.3168.6000111V90 V91 I92 V96 L97 I98V90-I94 HydrophobicContact CG1-CD1 3.86Å; V90-I94 HydrophobicContact CG1-CG1 4.44Å; V90-I94 WeakPolarHBondContact O-CG1 3.41Å; V90-I94 PolarHBondContact O-N 3.48Å; V91-I94 PolarHBondContact O-N 3.26Å; I92-I94 VanDerWaalsContact C-N 3.32Å; I92-I94 PolarHBondContact O-N 3.42Å; I94-V96 PolarHBondContact O-N 2.93Å; I94-L97 PolarHBondContact O-N 3.27Å; I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 HydrophobicContact CG2-CG1 4.39Å; I94-I98 VanDerWaalsContact O-CG1 3.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.47Å
95I97.7Very high96.1Very high96 Ų9691.6 Ų91.649%0.49250%0.5SS..Hα-helixtrans-61.1-45.1178-68.7166.8000110.7V91 I92 L97 I98 V99V91-I95 HydrophobicContact CG1-CD1 3.85Å; V91-I95 HydrophobicContact CG1-CG1 4.46Å; V91-I95 WeakPolarHBondContact O-CG1 3.38Å; V91-I95 PolarHBondContact O-N 3.25Å; I92-I95 PolarHBondContact O-N 3.46Å; I95-L97 VanDerWaalsContact C-N 3.34Å; I95-L97 PolarHBondContact O-N 2.96Å; I95-I98 PolarHBondContact O-N 3.26Å; I95-V99 HydrophobicContact CG2-CG2 4.47Å; I95-V99 WeakPolarHBondContact O-CG2 3.32Å; I95-V99 PolarHBondContact O-N 3.46Å
96V97.3Very high95.7Very high90 Ų9094 Ų9455%0.54550%0.504SS..Hα-helixtrans-61-43177.3171.80000111.2I92 L93 I94 V99 W100I92-V96 WeakPolarHBondContact O-CG2 3.32Å; I92-V96 PolarHBondContact O-N 3.26Å; L93-V96 PolarHBondContact O-N 2.97Å; I94-V96 PolarHBondContact O-N 2.93Å; V96-V99 PolarHBondContact O-N 3.03Å; V96-W100 WeakPolarHBondContact O-CB 3.37Å; V96-W100 PolarHBondContact O-N 3.42Å
97L96.8Very high95.2Very high105 Ų10593.3 Ų93.355%0.5550%0.501SS..Hα-helixtrans-62.4-42.8176-73.8178.4000112.2L93 I94 I95 W100 V101L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 3.4Å; I94-L97 PolarHBondContact O-N 3.27Å; I95-L97 VanDerWaalsContact C-N 3.34Å; I95-L97 PolarHBondContact O-N 2.96Å; L97-W100 PolarHBondContact O-N 3.41Å; L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.31Å; L97-V101 PolarHBondContact O-N 2.97Å
98I96.7Very high94.6Very high98 Ų9896.9 Ų96.950%0.50351%0.506SS..Hα-helixtrans-62.7-46.6177.8-68.2166.2000110.6I94 I95 W100 V101 V102I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 HydrophobicContact CG2-CG1 4.39Å; I94-I98 VanDerWaalsContact O-CG1 3.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.4Å; I94-I98 PolarHBondContact O-N 3.47Å; I95-I98 PolarHBondContact O-N 3.26Å; I98-W100 PolarHBondContact O-N 3.48Å; I98-V101 PolarHBondContact O-N 3.1Å; I98-V102 HydrophobicContact CG2-CG2 4.38Å; I98-V102 WeakPolarHBondContact O-CB 3.41Å; I98-V102 VanDerWaalsContact O-CG2 3.32Å; I98-V102 WeakPolarHBondContact O-CG2 3.29Å; I98-V102 PolarHBondContact O-N 3.46Å
99V96.4Very high93.8Very high83 Ų8396.9 Ų96.950%0.50351%0.506SS..Hα-helixtrans-61.2-45.2178.6172.40000110.7I95 V96 V101 V102 S103I95-V99 HydrophobicContact CG2-CG2 4.47Å; I95-V99 WeakPolarHBondContact O-CG2 3.32Å; I95-V99 PolarHBondContact O-N 3.46Å; V96-V99 PolarHBondContact O-N 3.03Å; V99-V101 PolarHBondContact O-N 2.89Å; V99-V102 PolarHBondContact O-N 3.48Å; V99-S103 WeakPolarHBondContact O-CB 3.5Å; V99-S103 PolarHBondContact O-N 3.39Å; V99-S103 PolarHBondContact O-OG 3.05Å; V99-S103 VanDerWaalsContact O-OG 3.1Å
100W96.1Very high92.8Very high177 Ų17796.6 Ų96.667%0.6750%0.503SS*.Hα-helixtrans-61.4-44179.4-173.455.8000112.4V96 L97 I98 S103 E104V96-W100 WeakPolarHBondContact O-CB 3.37Å; V96-W100 PolarHBondContact O-N 3.42Å; L97-W100 PolarHBondContact O-N 3.41Å; I98-W100 PolarHBondContact O-N 3.48Å; W100-S103 PolarHBondContact O-N 3.12Å; W100-E104 WeakPolarHBondContact O-CB 3.49Å; W100-E104 PolarHBondContact O-N 3.47Å
101V95.5Very high91.7Very high85 Ų85100.4 Ų100.452%0.51552%0.516SS..Hα-helixtrans-64.7-43177170.80000111.7L97 I98 V99 Q105L97-V101 VanDerWaalsContact O-CG2 3.31Å; L97-V101 WeakPolarHBondContact O-CG2 3.31Å; L97-V101 PolarHBondContact O-N 2.97Å; I98-V101 PolarHBondContact O-N 3.1Å; V99-V101 PolarHBondContact O-N 2.89Å; V101-Q105 WeakPolarHBondContact O-CG 3.12Å; V101-Q105 PolarHBondContact O-N 3.41Å
102V94.9Very high90.3Very high94 Ų94100.3 Ų100.357%0.5752%0.518SS*.Hα-helixtrans-67.5-40.4179171.50000111.5I98 V99 Q105 K106I98-V102 HydrophobicContact CG2-CG2 4.38Å; I98-V102 WeakPolarHBondContact O-CB 3.41Å; I98-V102 VanDerWaalsContact O-CG2 3.32Å; I98-V102 WeakPolarHBondContact O-CG2 3.29Å; I98-V102 PolarHBondContact O-N 3.46Å; V99-V102 PolarHBondContact O-N 3.48Å; V102-Q105 PolarHBondContact O-N 3.33Å; V102-K106 PolarHBondContact O-N 2.97Å; V102-K106 VanDerWaalsContact O-N 3.1Å
103S93.6Very high89Confident59 Ų59102.4 Ų102.441%0.41353%0.526SS..Hα-helixtrans-64.5-41.1176.8-66.80000112.4V99 W100 Q105 K106 N107V99-S103 WeakPolarHBondContact O-CB 3.5Å; V99-S103 PolarHBondContact O-N 3.39Å; V99-S103 PolarHBondContact O-OG 3.05Å; V99-S103 VanDerWaalsContact O-OG 3.1Å; W100-S103 PolarHBondContact O-N 3.12Å; S103-Q105 VanDerWaalsContact C-N 3.34Å; S103-Q105 PolarHBondContact O-N 3.48Å; S103-K106 PolarHBondContact O-N 3.09Å; S103-N107 PolarHBondContact O-N 3.22Å; S103-N107 VanDerWaalsContact O-N 3.09Å; S103-N107 PolarHBondContact O-ND2 3.08Å; S103-N107 VanDerWaalsContact O-ND2 3.12Å
104E91.3Very high87.5Confident80 Ų80104.5 Ų104.537%0.37453%0.533SS..Hα-helixtrans-63.2-39.7177.2-176.260.4-159.700112W100 N107 K108W100-E104 WeakPolarHBondContact O-CB 3.49Å; W100-E104 PolarHBondContact O-N 3.47Å; E104-N107 PolarHBondContact O-N 3.37Å; E104-K108 PolarHBondContact O-N 3.1Å; E104-K108 WeakPolarHBondContact OE1-CE 3.38Å; E104-K108 IonicContact OE1-NZ 2.72Å; E104-K108 PolarHBondContact OE1-NZ 3.3Å
105Q88.7Confident86.1Confident120 Ų120103.9 Ų103.956%0.56154%0.536SS*.Hα-helixtrans-66.8-37.5176.2-66.6-70.379.900112.1V101 V102 S103 K108 V109V101-Q105 WeakPolarHBondContact O-CG 3.12Å; V101-Q105 PolarHBondContact O-N 3.41Å; V102-Q105 PolarHBondContact O-N 3.33Å; S103-Q105 VanDerWaalsContact C-N 3.34Å; S103-Q105 PolarHBondContact O-N 3.48Å; Q105-K108 PolarHBondContact O-N 3.2Å; Q105-V109 WeakPolarHBondContact O-CG2 3.48Å; Q105-V109 PolarHBondContact O-N 3.14Å
106K87.4Confident84.6Confident125 Ų125102.9 Ų102.954%0.54354%0.538SS..Hα-helixtrans-64-45.2176.6-170.8-175.2171-163.70111.8V102 S103 K108 V109 E110V102-K106 PolarHBondContact O-N 2.97Å; V102-K106 VanDerWaalsContact O-N 3.1Å; S103-K106 PolarHBondContact O-N 3.09Å; K106-K108 VanDerWaalsContact C-N 3.28Å; K106-K108 PolarHBondContact O-N 3.29Å; K106-V109 PolarHBondContact O-N 3.26Å; K106-V109 VanDerWaalsContact O-N 3.14Å; K106-E110 WeakPolarHBondContact CE-OE1 3.33Å; K106-E110 IonicContact NZ-OE1 3.47Å; K106-E110 PolarHBondContact NZ-OE1 3.46Å; K106-E110 PolarHBondContact O-N 3.13Å
107N86.7Confident82.8Confident88 Ų88105.1 Ų105.147%0.47154%0.542SS..Hα-helixtrans-59-37179.6-69.1-39.4000112.5S103 E104 Q111S103-N107 PolarHBondContact O-N 3.22Å; S103-N107 VanDerWaalsContact O-N 3.09Å; S103-N107 PolarHBondContact O-ND2 3.08Å; S103-N107 VanDerWaalsContact O-ND2 3.12Å; E104-N107 PolarHBondContact O-N 3.37Å; N107-Q111 PolarHBondContact O-N 2.72Å
108K83.1Confident81.2Confident110 Ų110106.6 Ų106.648%0.47855%0.546SS..Hα-helixtrans-68.8-33.1178-66.5-174-160.9-53.60113.2E104 Q105 K106 S112E104-K108 PolarHBondContact O-N 3.1Å; E104-K108 WeakPolarHBondContact OE1-CE 3.38Å; E104-K108 IonicContact OE1-NZ 2.72Å; E104-K108 PolarHBondContact OE1-NZ 3.3Å; Q105-K108 PolarHBondContact O-N 3.2Å; K106-K108 VanDerWaalsContact C-N 3.28Å; K106-K108 PolarHBondContact O-N 3.29Å; K108-S112 PolarHBondContact O-N 3.46Å
109V79.8Confident79.6Confident88 Ų88107.5 Ų107.553%0.53355%0.551SS.*Hα-helixtrans-72.4-46.2179.4176.50000110.8Q105 K106 Q111 S112 E113Q105-V109 WeakPolarHBondContact O-CG2 3.48Å; Q105-V109 PolarHBondContact O-N 3.14Å; K106-V109 PolarHBondContact O-N 3.26Å; K106-V109 VanDerWaalsContact O-N 3.14Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 3.43Å; V109-S112 PolarHBondContact O-N 3.36Å; V109-S112 VanDerWaalsContact O-N 3.13Å; V109-E113 PolarHBondContact O-N 3.08Å; V109-E113 VanDerWaalsContact O-N 3.08Å
110E77.6Confident78.4Confident91 Ų91108.1 Ų108.143%0.42556%0.555SS.*Hα-helixtrans-61.9-34.4179.5-69.9175.9146.200111.8K106 H114K106-E110 WeakPolarHBondContact CE-OE1 3.33Å; K106-E110 IonicContact NZ-OE1 3.47Å; K106-E110 PolarHBondContact NZ-OE1 3.46Å; K106-E110 PolarHBondContact O-N 3.13Å; E110-H114 WeakPolarHBondContact O-CB 3.49Å; E110-H114 PolarHBondContact O-N 3.31Å; E110-H114 VanDerWaalsContact O-N 3.08Å
111Q73.7Confident77.1Confident152 Ų152105.9 Ų105.971%0.7155%0.553SS**Hα-helixtrans-70.7-34.4176.4-168.6163.9-1.700113.1N107 V109 S115N107-Q111 PolarHBondContact O-N 2.72Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 3.43Å; Q111-S115 WeakPolarHBondContact O-CB 3.48Å; Q111-S115 PolarHBondContact O-N 3.33Å; Q111-S115 VanDerWaalsContact O-N 3.15Å
112S69.9Low75.9Confident79 Ų79106.9 Ų106.955%0.55256%0.556SS**Hα-helixtrans-67.9-44.2173.8-80.70000111.9K108 V109 S115 S116K108-S112 PolarHBondContact O-N 3.46Å; V109-S112 PolarHBondContact O-N 3.36Å; V109-S112 VanDerWaalsContact O-N 3.13Å; S112-S115 PolarHBondContact O-N 3.21Å; S112-S116 PolarHBondContact O-N 3.46Å; S112-S116 PolarHBondContact O-OG 3.36Å
113E70.9Confident75Confident136 Ų136107.1 Ų107.164%0.63655%0.554SS**Hα-helixtrans-64.5-41.5178.3-74.1-172.3130.200112V109 S115 S116 H117V109-E113 PolarHBondContact O-N 3.08Å; V109-E113 VanDerWaalsContact O-N 3.08Å; E113-S115 VanDerWaalsContact C-N 3.35Å; E113-S115 PolarHBondContact O-N 3.04Å; E113-S116 PolarHBondContact O-N 3.15Å; E113-H117 PolarHBondContact O-N 3.49Å; E113-H117 VanDerWaalsContact O-N 3.11Å
114H66.3Low73.9Confident151 Ų151107.1 Ų107.170%0.69955%0.554SS**Hα-helixtrans-64.6-39.1177.5-168.564.5000112.3E110 H117 H118E110-H114 WeakPolarHBondContact O-CB 3.49Å; E110-H114 PolarHBondContact O-N 3.31Å; E110-H114 VanDerWaalsContact O-N 3.08Å; H114-H117 PolarHBondContact O-N 3.32Å; H114-H118 PolarHBondContact O-N 3.11Å
115S68.6Low72.6Confident74 Ų74106.5 Ų106.552%0.51756%0.559SS.*Hα-helixtrans-68.5-35.6177.1-165.90000112.6Q111 S112 E113 L119Q111-S115 WeakPolarHBondContact O-CB 3.48Å; Q111-S115 PolarHBondContact O-N 3.33Å; Q111-S115 VanDerWaalsContact O-N 3.15Å; S112-S115 PolarHBondContact O-N 3.21Å; E113-S115 VanDerWaalsContact C-N 3.35Å; E113-S115 PolarHBondContact O-N 3.04Å; S115-L119 PolarHBondContact O-N 3.29Å
116S64.8Low71.3Confident76 Ų76106.5 Ų106.553%0.53156%0.559SS.*Hα-helixtrans-67.7-39.8176.5-650000112.3S112 E113 H118 L119 V120S112-S116 PolarHBondContact O-N 3.46Å; S112-S116 PolarHBondContact O-OG 3.36Å; E113-S116 PolarHBondContact O-N 3.15Å; S116-H118 VanDerWaalsContact C-N 3.3Å; S116-H118 PolarHBondContact O-N 3.17Å; S116-L119 PolarHBondContact O-N 3.42Å; S116-L119 VanDerWaalsContact O-N 3.17Å; S116-V120 PolarHBondContact O-N 3.22Å
117H61Low70.2Confident137 Ų137105.6 Ų105.663%0.63456%0.559SS**Hα-helixtrans-68.5-31.1-178.5-136.9-77.9000112.5E113 H114E113-H117 PolarHBondContact O-N 3.49Å; E113-H117 VanDerWaalsContact O-N 3.11Å; H114-H117 PolarHBondContact O-N 3.32Å
118H62.8Low69.4Low136 Ų136108.2 Ų108.263%0.6357%0.572SS**Hα-helixtrans-69.7-36.3171.8-176.9-85.5000112.3H114 S116 D122H114-H118 PolarHBondContact O-N 3.11Å; S116-H118 VanDerWaalsContact C-N 3.3Å; S116-H118 PolarHBondContact O-N 3.17Å; H118-D122 PolarHBondContact O-N 3.31Å
119L63.5Low68.6Low117 Ų117107.1 Ų107.161%0.61358%0.579SS**Hα-helixtrans-74.5-32.1-175-140.4140.8000113.4S115 S116 N123S115-L119 PolarHBondContact O-N 3.29Å; S116-L119 PolarHBondContact O-N 3.42Å; S116-L119 VanDerWaalsContact O-N 3.17Å; L119-N123 PolarHBondContact O-N 3.5Å; L119-N123 VanDerWaalsContact O-N 3.15Å
120V70.5Confident68.1Low96 Ų96110.2 Ų110.258%0.58259%0.587SS**Hα-helixtrans-70.9-35176.4177.40000112S116 S124S116-V120 PolarHBondContact O-N 3.22Å; V120-S124 WeakPolarHBondContact O-CB 3.49Å; V120-S124 PolarHBondContact O-N 2.82Å; V120-S124 PolarHBondContact O-OG 3.23Å
121M67.9Low67.3Low129 Ų129117 Ų11764%0.63562%0.619SS**Hα-helixtrans-68.3-38.5176.4-75.5-67.8176.600111.6S124 S125M121-S124 PolarHBondContact O-N 2.88Å; M121-S125 PolarHBondContact O-N 3.4Å; M121-S125 PolarHBondContact O-OG 3.41Å
122D71.2Confident66.9Low107 Ų107115.3 Ų115.357%0.57261%0.614SS**Hα-helixtrans-72.3-34.3179.2-15945.3000113.1H118 S125 H126H118-D122 PolarHBondContact O-N 3.31Å; D122-S125 PolarHBondContact O-OG 3.34Å; D122-H126 PolarHBondContact O-N 3.15Å
123N75.5Confident66.8Low99 Ų99117.2 Ų117.253%0.52962%0.617SS.*Hα-helixtrans-73.6-29.7175.7-168.572.4000112.9L119 L127L119-N123 PolarHBondContact O-N 3.5Å; L119-N123 VanDerWaalsContact O-N 3.15Å; N123-L127 PolarHBondContact O-N 3.5Å
124S70Confident66.6Low59 Ų59116.1 Ų116.141%0.41362%0.616SS.*Hα-helixtrans-76.2-34.1-179.2-580000112.5V120 M121 H126 L128V120-S124 WeakPolarHBondContact O-CB 3.49Å; V120-S124 PolarHBondContact O-N 2.82Å; V120-S124 PolarHBondContact O-OG 3.23Å; M121-S124 PolarHBondContact O-N 2.88Å; S124-H126 VanDerWaalsContact C-N 3.33Å; S124-L128 PolarHBondContact O-N 3.3Å
125S64.6Low66.6Low67 Ų67114.1 Ų114.147%0.46961%0.612SS.*Hα-helixtrans-66.2-37.2173.753.90000111.5M121 D122 L128M121-S125 PolarHBondContact O-N 3.4Å; M121-S125 PolarHBondContact O-OG 3.41Å; D122-S125 PolarHBondContact O-OG 3.34Å; S125-L128 PolarHBondContact O-N 3.45Å
126H62.2Low66.5Low120 Ų120116.6 Ų116.656%0.55662%0.617SS**Hα-helixtrans-68.4-35.3178-165.2-79.6000113.3D122 S124 S129D122-H126 PolarHBondContact O-N 3.15Å; S124-H126 VanDerWaalsContact C-N 3.33Å; H126-S129 PolarHBondContact O-N 2.86Å; H126-S129 PolarHBondContact O-OG 3.47Å
127L64.7Low66.6Low106 Ų106119.3 Ų119.356%0.55562%0.623SS**Hα-helixtrans-73-27177.9-81.1-179.3000114N123 S129N123-L127 PolarHBondContact O-N 3.5Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 3.49Å
128L68.5Low67Low143 Ų143118 Ų11875%0.74962%0.622SS**Hα-helixtrans-76.6-13.1176.7-71.4174.4000113.4S124 S125S124-L128 PolarHBondContact O-N 3.3Å; S125-L128 PolarHBondContact O-N 3.45Å
129S67.6Low67.3Low87 Ų87116.6 Ų116.661%0.60862%0.622SS**THydrogen-bonded Turntrans-91.8-8.2177.749.30000115.4H126 L127H126-S129 PolarHBondContact O-N 2.86Å; H126-S129 PolarHBondContact O-OG 3.47Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 3.49Å
130E68.1Low67.6Low152 Ų152116.6 Ų116.671%0.7162%0.623SS**  trans-98.1-4178.1-88.4-150.9111.800114.7
131Q60.4Low67.3Low234 Ų234118.5 Ų118.5100%1.09363%0.626SS**  trans-970171-67-71.8-71.800110.2

Retrieved 131 of 131 residues in 48.8 ms (Link to these results)