A0A087XX40_POEFO Loading...

Interferon-induced protein 35

AlphaFold DB , UniProt , Accession A0A087XX40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 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
1M37.6Very low38.5Very low238 Ų238146.5 Ų146.5100%1.17281%0.806SS**  01030-63-147.5169.600105.4
2S41.2Very low38.9Very low113 Ų113147.3 Ų147.379%0.7981%0.808SS**  68.6118.5102.4-161.60000108.7
3S38.3Very low39.6Very low86 Ų86145.1 Ų145.160%0.60179%0.786SS**  cis-178.4149.82916.30000107.8
4D37.3Very low40.2Very low139 Ų139144.9 Ų144.974%0.74378%0.784SS**  trans55.8104.5133.5-49.1-20.6000117.6
5E43.3Very low40.9Very low174 Ų174145.3 Ų145.381%0.81378%0.779SS**  73.3120.390.5-75.3-170.3170.100111.9
6D34.7Very low41.7Very low161 Ų161146.4 Ų146.486%0.86179%0.785SS**  -160104.9125.6-103-24.8000110.6S8D6-S8 PolarHBondContact O-N 3.18Å; D6-S8 VanDerWaalsContact O-N 3.13Å
7F36.5Very low42.8Very low214 Ų214142.4 Ų142.494%0.93977%0.766SS**  trans-66.297.9159.3-106-97.9000107.6L9F7-L9 PolarHBondContact O-N 3.21Å
8S40.7Very low43.8Very low112 Ų112141.7 Ų141.778%0.78376%0.761SS**  trans-74.2100172.1-178.20000110D6 V10D6-S8 PolarHBondContact O-N 3.18Å; D6-S8 VanDerWaalsContact O-N 3.13Å; S8-V10 PolarHBondContact O-N 3Å
9L35.7Very low44.9Very low141 Ų141141.7 Ų141.774%0.73876%0.756SS**  trans-42.8109.5166.6-156.781.9000111F7 T11F7-L9 PolarHBondContact O-N 3.21Å; L9-T11 VanDerWaalsContact C-N 3.33Å; L9-T11 HydrophobicContact CD2-CG2 3.9Å; L9-T11 HydrophobicContact CG-CG2 4.45Å; L9-T11 PolarHBondContact O-N 3.39Å
10V39Very low45.9Very low138 Ų138135.9 Ų135.984%0.83673%0.731SS**  trans-68.998.3166.2179.80000106.3S8S8-V10 PolarHBondContact O-N 3Å
11T39.4Very low47.1Very low95 Ų95133.7 Ų133.758%0.58372%0.718SS**  trans-80.1122.5169.636.80000107.7L9 K13L9-T11 VanDerWaalsContact C-N 3.33Å; L9-T11 HydrophobicContact CD2-CG2 3.9Å; L9-T11 HydrophobicContact CG-CG2 4.45Å; L9-T11 PolarHBondContact O-N 3.39Å; T11-K13 PolarHBondContact O-N 3.13Å
12D43Very low48.7Very low156 Ų156128 Ų12883%0.83469%0.689SS**  trans-52.4109.1170.5-72.9-45.6000109
13K48.3Very low50.3Low119 Ų119125.5 Ų125.552%0.51768%0.675SS.*  trans-80.2118.2171.5-71.8-179.3177.2175.10106.5T11 E15 L24 E27T11-K13 PolarHBondContact O-N 3.13Å; K13-E15 PolarHBondContact O-N 2.93Å; K13-L24 HydrophobicContact CD-CD2 4.43Å; K13-E27 IonicContact NZ-OE1 3.39Å; K13-E27 IonicContact NZ-OE2 2.65Å; K13-E27 PolarHBondContact NZ-OE2 2.98Å
14N47.2Very low52.2Low143 Ų143123.5 Ų123.577%0.76566%0.657SS**  trans-55.1110.8173.3-79.7-25.4000110.6
15E51.3Low54.2Low151 Ų151121 Ų12171%0.70664%0.643SS**  trans-83.1-2.8-173.1-75.6-177.9158.700114.9K13K13-E15 PolarHBondContact O-N 2.93Å
16D53.9Low56.1Low163 Ų163120.1 Ų120.187%0.87264%0.636SS**SBendtrans-112.929.5-167.8-72.1-30.4000116
17T59.6Low58.4Low77 Ų77115.6 Ų115.647%0.47261%0.61SS.*SBendtrans-131.2141.8171.434.10000112.8E19 G20 I21T17-E19 PolarHBondContact O-N 3.46Å; T17-G20 PolarHBondContact O-N 3.44Å; T17-I21 PolarHBondContact O-N 2.82Å
18I61.1Low60.6Low131 Ų131112.7 Ų112.767%0.67259%0.594SS**Hα-helixtrans-56.6-35.9-175.5-66.4174.5000111.6Q22I18-Q22 WeakPolarHBondContact O-CG 3.35Å; I18-Q22 PolarHBondContact O-N 3.11Å
19E65.4Low62.7Low141 Ų141113 Ų11366%0.65958%0.583SS**Hα-helixtrans-68.6-32.7175.9-67.195.6-179.900113.6T17 Q22 A23T17-E19 PolarHBondContact O-N 3.46Å; E19-Q22 PolarHBondContact O-N 3.25Å; E19-A23 WeakPolarHBondContact O-CB 3.44Å; E19-A23 PolarHBondContact O-N 2.96Å
20G64.9Low65.1Low25 Ų25113.8 Ų113.826%0.25858%0.58SS.*Hα-helixtrans-70.1-40.3178.500000112.8T17 A23 L24T17-G20 PolarHBondContact O-N 3.44Å; G20-A23 PolarHBondContact O-N 3.36Å; G20-L24 PolarHBondContact O-N 3.06Å
21I70.1Confident67.3Low90 Ų90111.8 Ų111.846%0.46256%0.56SS.*Hα-helixtrans-66.5-40.3174.4-61.9174.1000110.5T17 L24 I25T17-I21 PolarHBondContact O-N 2.82Å; I21-L24 PolarHBondContact O-N 3.38Å; I21-I25 HydrophobicContact CG2-CD1 4.03Å; I21-I25 VanDerWaalsContact O-CG1 3.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 3.02Å
22Q72.3Confident69.5Low119 Ų119114.6 Ų114.656%0.55656%0.562SS**Hα-helixtrans-65.5-36.6175.4-78.1-178.1-12.100113.2I18 E19 K26I18-Q22 WeakPolarHBondContact O-CG 3.35Å; I18-Q22 PolarHBondContact O-N 3.11Å; E19-Q22 PolarHBondContact O-N 3.25Å; Q22-K26 PolarHBondContact O-N 2.96Å; Q22-K26 VanDerWaalsContact O-N 3.11Å
23A75.1Confident71.6Confident60 Ų60110.2 Ų110.250%0.49654%0.543SS..Hα-helixtrans-67-40.417500000112E19 G20 K26 E27E19-A23 WeakPolarHBondContact O-CB 3.44Å; E19-A23 PolarHBondContact O-N 2.96Å; G20-A23 PolarHBondContact O-N 3.36Å; A23-K26 PolarHBondContact O-N 3.08Å; A23-E27 WeakPolarHBondContact O-CB 3.32Å; A23-E27 PolarHBondContact O-N 3.34Å
24L78Confident73.5Confident45 Ų45107.5 Ų107.524%0.23654%0.536CS..Hα-helixtrans-64.1-43.4174.1-81.2160.5000112K13 G20 I21 K26 E27 Y28K13-L24 HydrophobicContact CD-CD2 4.43Å; G20-L24 PolarHBondContact O-N 3.06Å; I21-L24 PolarHBondContact O-N 3.38Å; L24-K26 PolarHBondContact O-N 3.31Å; L24-E27 WeakPolarHBondContact O-CB 3.45Å; L24-E27 PolarHBondContact O-N 3.38Å; L24-E27 VanDerWaalsContact O-N 3.13Å; L24-Y28 HydrophobicContact CD2-CE2 4.17Å; L24-Y28 WeakPolarHBondContact O-CD2 3.27Å; L24-Y28 PolarHBondContact O-N 3.35Å
25I79.4Confident75.5Confident86 Ų86105.3 Ų105.344%0.44152%0.523SS..Hα-helixtrans-58.8-47.3176-70.1166.5000110.5I21 E27 Y28 E29I21-I25 HydrophobicContact CG2-CD1 4.03Å; I21-I25 VanDerWaalsContact O-CG1 3.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.35Å; I21-I25 PolarHBondContact O-N 3.02Å; I25-E27 VanDerWaalsContact C-N 3.31Å; I25-E27 PolarHBondContact O-N 2.89Å; I25-Y28 PolarHBondContact O-N 3.48Å; I25-E29 HydrophobicContact CG2-CG 4.36Å; I25-E29 WeakPolarHBondContact O-CB 3.45Å; I25-E29 WeakPolarHBondContact O-CG 3.36Å; I25-E29 PolarHBondContact O-N 3.29Å
26K82.3Confident77.3Confident155 Ų155101.5 Ų101.567%0.67451%0.508SS*.Hα-helixtrans-61.9-36.6174.7-84.5-176.2175.3177.10113Q22 A23 L24 K30Q22-K26 PolarHBondContact O-N 2.96Å; Q22-K26 VanDerWaalsContact O-N 3.11Å; A23-K26 PolarHBondContact O-N 3.08Å; L24-K26 PolarHBondContact O-N 3.31Å; K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.06Å
27E83.6Confident79Confident67 Ų67100 Ų10031%0.31350%0.495SS..Hα-helixtrans-65.7-43.3176.1-163.6-170.7148.400111.1K13 A23 L24 I25 K30 K31K13-E27 IonicContact NZ-OE1 3.39Å; K13-E27 IonicContact NZ-OE2 2.65Å; K13-E27 PolarHBondContact NZ-OE2 2.98Å; A23-E27 WeakPolarHBondContact O-CB 3.32Å; A23-E27 PolarHBondContact O-N 3.34Å; L24-E27 WeakPolarHBondContact O-CB 3.45Å; L24-E27 PolarHBondContact O-N 3.38Å; L24-E27 VanDerWaalsContact O-N 3.13Å; I25-E27 VanDerWaalsContact C-N 3.31Å; I25-E27 PolarHBondContact O-N 2.89Å; E27-K30 PolarHBondContact O-N 2.82Å; E27-K31 WeakPolarHBondContact O-CG 3.43Å; E27-K31 PolarHBondContact O-N 3.35Å; E27-K31 WeakPolarHBondContact OE1-CE 3.49Å; E27-K31 IonicContact OE1-NZ 3.38Å; E27-K31 PolarHBondContact OE1-NZ 3.42Å
28Y82.4Confident80.3Confident152 Ų152102 Ų10260%0.59650%0.499SS*.Hα-helixtrans-69.7-38.3176.4-80.2-67.8000112.9L24 I25 K30 K31 Y32L24-Y28 HydrophobicContact CD2-CE2 4.17Å; L24-Y28 WeakPolarHBondContact O-CD2 3.27Å; L24-Y28 PolarHBondContact O-N 3.35Å; I25-Y28 PolarHBondContact O-N 3.48Å; Y28-K30 VanDerWaalsContact C-N 3.34Å; Y28-K31 PolarHBondContact O-N 2.95Å; Y28-Y32 VanDerWaalsContact O-CB 3.27Å; Y28-Y32 WeakPolarHBondContact O-CB 3.14Å; Y28-Y32 PolarHBondContact O-N 3.44Å
29E84.2Confident81.7Confident120 Ų120100.3 Ų100.356%0.56149%0.489SS*.Hα-helixtrans-61.5-42.7172.4-76.8176.516500111.2I25 Y32 S33I25-E29 HydrophobicContact CG2-CG 4.36Å; I25-E29 WeakPolarHBondContact O-CB 3.45Å; I25-E29 WeakPolarHBondContact O-CG 3.36Å; I25-E29 PolarHBondContact O-N 3.29Å; E29-Y32 PolarHBondContact O-N 2.84Å; E29-S33 WeakPolarHBondContact O-CB 3.44Å; E29-S33 PolarHBondContact O-N 2.72Å
30K85.7Confident82.9Confident156 Ų15698.2 Ų98.268%0.67848%0.479SS*.Hα-helixtrans-64.3-44.3175.6-169.9177.8-179.4-177.90111.6K26 E27 Y28 Y32 S33 V34K26-K30 WeakPolarHBondContact O-CB 3.49Å; K26-K30 PolarHBondContact O-N 3.06Å; E27-K30 PolarHBondContact O-N 2.82Å; Y28-K30 VanDerWaalsContact C-N 3.34Å; K30-Y32 VanDerWaalsContact C-N 3.34Å; K30-S33 PolarHBondContact O-N 2.73Å; K30-V34 WeakPolarHBondContact O-CG2 3.35Å; K30-V34 PolarHBondContact O-N 3.32Å
31K85.8Confident84.2Confident96 Ų96102.5 Ų102.542%0.41750%0.496SS..Hα-helixtrans-61.8-42.2174.8-74.6174.8-173.7168.70111.6E27 Y28 V34 I35E27-K31 WeakPolarHBondContact O-CG 3.43Å; E27-K31 PolarHBondContact O-N 3.35Å; E27-K31 WeakPolarHBondContact OE1-CE 3.49Å; E27-K31 IonicContact OE1-NZ 3.38Å; E27-K31 PolarHBondContact OE1-NZ 3.42Å; Y28-K31 PolarHBondContact O-N 2.95Å; K31-V34 PolarHBondContact O-N 2.93Å; K31-I35 WeakPolarHBondContact O-CB 3.42Å; K31-I35 WeakPolarHBondContact O-CD1 3.42Å; K31-I35 VanDerWaalsContact O-CG1 3.22Å; K31-I35 WeakPolarHBondContact O-CG1 3.26Å; K31-I35 PolarHBondContact O-N 3.12Å
32Y85.6Confident85.2Confident155 Ų155103.3 Ų103.361%0.60850%0.5SS*.Hα-helixtrans-64.9-40178-173.3-104.5000112.2Y28 E29 K30 I35 L36Y28-Y32 VanDerWaalsContact O-CB 3.27Å; Y28-Y32 WeakPolarHBondContact O-CB 3.14Å; Y28-Y32 PolarHBondContact O-N 3.44Å; E29-Y32 PolarHBondContact O-N 2.84Å; K30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-I35 PolarHBondContact O-N 3.06Å; Y32-L36 HydrophobicContact CD1-CD1 3.71Å; Y32-L36 HydrophobicContact CE1-CD1 3.32Å; Y32-L36 HydrophobicContact CE1-CG 4.27Å; Y32-L36 WeakPolarHBondContact O-CB 3.38Å; Y32-L36 PolarHBondContact O-N 2.79Å
33S87.6Confident86.2Confident64 Ų64102.3 Ų102.345%0.44849%0.494SS..Hα-helixtrans-61.4-44.9173.5-175.30000112.4E29 K30 L36 E37E29-S33 WeakPolarHBondContact O-CB 3.44Å; E29-S33 PolarHBondContact O-N 2.72Å; K30-S33 PolarHBondContact O-N 2.73Å; S33-L36 PolarHBondContact O-N 2.94Å; S33-E37 PolarHBondContact O-N 3.11Å; S33-E37 VanDerWaalsContact O-N 3.08Å
34V89.3Confident87.1Confident62 Ų62103 Ų10338%0.37649%0.492SS..Hα-helixtrans-64.7-42.6177.8171.90000110.9K30 K31 L36 E37 E38K30-V34 WeakPolarHBondContact O-CG2 3.35Å; K30-V34 PolarHBondContact O-N 3.32Å; K31-V34 PolarHBondContact O-N 2.93Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 3.11Å; V34-E37 PolarHBondContact O-N 3.29Å; V34-E38 HydrophobicContact CG1-CG 4.41Å; V34-E38 WeakPolarHBondContact O-CG 3.33Å; V34-E38 PolarHBondContact O-N 2.87Å
35I88.3Confident87.8Confident96 Ų96102.8 Ų102.849%0.49249%0.494SS..Hα-helixtrans-62.9-36.3176.8-69.7165.5000111.5K31 Y32 Q39K31-I35 WeakPolarHBondContact O-CB 3.42Å; K31-I35 WeakPolarHBondContact O-CD1 3.42Å; K31-I35 VanDerWaalsContact O-CG1 3.22Å; K31-I35 WeakPolarHBondContact O-CG1 3.26Å; K31-I35 PolarHBondContact O-N 3.12Å; Y32-I35 PolarHBondContact O-N 3.06Å; I35-Q39 VanDerWaalsContact O-CB 3.26Å; I35-Q39 WeakPolarHBondContact O-CB 3.46Å; I35-Q39 PolarHBondContact O-N 2.9Å
36L89.3Confident88.4Confident72 Ų72102.2 Ų102.238%0.37749%0.492SS..Hα-helixtrans-66.8-42.4175.7-92.6163.5000112.4Y32 S33 V34 Q39 E40Y32-L36 HydrophobicContact CD1-CD1 3.71Å; Y32-L36 HydrophobicContact CE1-CD1 3.32Å; Y32-L36 HydrophobicContact CE1-CG 4.27Å; Y32-L36 WeakPolarHBondContact O-CB 3.38Å; Y32-L36 PolarHBondContact O-N 2.79Å; S33-L36 PolarHBondContact O-N 2.94Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 3.11Å; L36-Q39 PolarHBondContact O-N 3.27Å; L36-E40 PolarHBondContact O-N 3.38Å; L36-E40 VanDerWaalsContact O-N 3.11Å
37E89.1Confident88.9Confident130 Ų130101.1 Ų101.161%0.60749%0.487SS*.Hα-helixtrans-62.2-48.6173.1-81.1-177.6157.200111.1S33 V34 Q39 E40 D41S33-E37 PolarHBondContact O-N 3.11Å; S33-E37 VanDerWaalsContact O-N 3.08Å; V34-E37 PolarHBondContact O-N 3.29Å; E37-Q39 VanDerWaalsContact C-N 3.26Å; E37-Q39 PolarHBondContact O-N 3.37Å; E37-E40 PolarHBondContact O-N 2.96Å; E37-E40 VanDerWaalsContact O-N 3.12Å; E37-D41 PolarHBondContact O-N 3.14Å
38E87.8Confident89.4Confident120 Ų120103.3 Ų103.356%0.56150%0.497SS*.Hα-helixtrans-59.4-36.8176-73.3178.5173.300112.1V34 L42V34-E38 HydrophobicContact CG1-CG 4.41Å; V34-E38 WeakPolarHBondContact O-CG 3.33Å; V34-E38 PolarHBondContact O-N 2.87Å; E38-L42 VanDerWaalsContact O-CB 3.24Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 PolarHBondContact O-N 3Å
39Q90.1Very high89.9Confident96 Ų96103.3 Ų103.345%0.44950%0.496SS..Hα-helixtrans-66.3-39.2177.1-170.6-173-4.100111.9I35 L36 E37 K43I35-Q39 VanDerWaalsContact O-CB 3.26Å; I35-Q39 WeakPolarHBondContact O-CB 3.46Å; I35-Q39 PolarHBondContact O-N 2.9Å; L36-Q39 PolarHBondContact O-N 3.27Å; E37-Q39 VanDerWaalsContact C-N 3.26Å; E37-Q39 PolarHBondContact O-N 3.37Å; Q39-K43 WeakPolarHBondContact O-CG 3.21Å; Q39-K43 PolarHBondContact O-N 3.36Å; Q39-K43 VanDerWaalsContact O-N 3.07Å
40E91.3Very high90.3Very high96 Ų96103.4 Ų103.445%0.44950%0.496SS..Hα-helixtrans-71.5-42.2175.4-80.4-50.7150.600112.5L36 E37 L42 K43 V44L36-E40 PolarHBondContact O-N 3.38Å; L36-E40 VanDerWaalsContact O-N 3.11Å; E37-E40 PolarHBondContact O-N 2.96Å; E37-E40 VanDerWaalsContact O-N 3.12Å; E40-L42 PolarHBondContact O-N 3.01Å; E40-K43 PolarHBondContact O-N 2.97Å; E40-K43 VanDerWaalsContact O-N 3.11Å; E40-K43 IonicContact OE1-NZ 2.79Å; E40-K43 PolarHBondContact OE1-NZ 3.44Å; E40-K43 WeakPolarHBondContact OE2-CD 3.22Å; E40-V44 WeakPolarHBondContact O-CG2 3.44Å; E40-V44 PolarHBondContact O-N 2.93Å
41D91.3Very high90.7Very high115 Ų115100.5 Ų100.562%0.61549%0.485SS*.Hα-helixtrans-59.2-39.4173.6-74.5-15.6000111.4E37 V44 S45E37-D41 PolarHBondContact O-N 3.14Å; D41-V44 PolarHBondContact O-N 3.38Å; D41-S45 WeakPolarHBondContact O-CB 3.49Å; D41-S45 PolarHBondContact O-N 3.07Å
42L91.6Very high91Very high107 Ų107100.3 Ų100.356%0.5649%0.487SS*.Hα-helixtrans-64.6-42.5175.7-15984.7000111.7E38 E40 S45 I46E38-L42 VanDerWaalsContact O-CB 3.24Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 PolarHBondContact O-N 3Å; E40-L42 PolarHBondContact O-N 3.01Å; L42-S45 PolarHBondContact O-N 2.88Å; L42-I46 HydrophobicContact CD2-CD1 4.2Å; L42-I46 HydrophobicContact CG-CD1 4.16Å; L42-I46 WeakPolarHBondContact O-CB 3.38Å; L42-I46 WeakPolarHBondContact O-CG1 3.42Å; L42-I46 PolarHBondContact O-N 3.36Å
43K92.9Very high91.4Very high98 Ų9896.3 Ų96.343%0.42648%0.479SS..Hα-helixtrans-63.6-42.9177.1-77.2173.7-170.71680111.7Q39 E40 I46 K47Q39-K43 WeakPolarHBondContact O-CG 3.21Å; Q39-K43 PolarHBondContact O-N 3.36Å; Q39-K43 VanDerWaalsContact O-N 3.07Å; E40-K43 PolarHBondContact O-N 2.97Å; E40-K43 VanDerWaalsContact O-N 3.11Å; E40-K43 IonicContact OE1-NZ 2.79Å; E40-K43 PolarHBondContact OE1-NZ 3.44Å; E40-K43 WeakPolarHBondContact OE2-CD 3.22Å; K43-I46 PolarHBondContact O-N 2.91Å; K43-K47 WeakPolarHBondContact O-CB 3.41Å; K43-K47 PolarHBondContact O-N 3.18Å
44V93.9Very high91.7Very high75 Ų7599 Ų9946%0.45548%0.484SS..Hα-helixtrans-60.2-49.5174.8174.20000109.8E40 D41 I46 K47 E48E40-V44 WeakPolarHBondContact O-CG2 3.44Å; E40-V44 PolarHBondContact O-N 2.93Å; D41-V44 PolarHBondContact O-N 3.38Å; V44-I46 VanDerWaalsContact C-N 3.34Å; V44-I46 PolarHBondContact O-N 2.84Å; V44-K47 PolarHBondContact O-N 3.13Å; V44-K47 VanDerWaalsContact O-N 3.14Å; V44-E48 HydrophobicContact CG1-CG 4.45Å; V44-E48 WeakPolarHBondContact O-CG 3.4Å; V44-E48 PolarHBondContact O-N 3.06Å
45S91.6Very high91.9Very high40 Ų40101.8 Ų101.828%0.2849%0.491SS..Hα-helixtrans-61.6-38.8178.5-167.70000112.8D41 L42 R49D41-S45 WeakPolarHBondContact O-CB 3.49Å; D41-S45 PolarHBondContact O-N 3.07Å; L42-S45 PolarHBondContact O-N 2.88Å; S45-R49 VanDerWaalsContact O-CB 3.26Å; S45-R49 WeakPolarHBondContact O-CB 3.49Å; S45-R49 PolarHBondContact O-N 3.47Å; S45-R49 PolarHBondContact OG-NH2 2.96Å
46I92.3Very high92.2Very high75 Ų75103.2 Ų103.239%0.38549%0.494SS..Hα-helixtrans-62.2-45.9175.2-73.2164.5000110.3L42 K43 V44 R49 Q50L42-I46 HydrophobicContact CD2-CD1 4.2Å; L42-I46 HydrophobicContact CG-CD1 4.16Å; L42-I46 WeakPolarHBondContact O-CB 3.38Å; L42-I46 WeakPolarHBondContact O-CG1 3.42Å; L42-I46 PolarHBondContact O-N 3.36Å; K43-I46 PolarHBondContact O-N 2.91Å; V44-I46 VanDerWaalsContact C-N 3.34Å; V44-I46 PolarHBondContact O-N 2.84Å; I46-R49 PolarHBondContact O-N 2.89Å; I46-Q50 HydrophobicContact CG2-CG 4.47Å; I46-Q50 WeakPolarHBondContact O-CG 3.29Å; I46-Q50 PolarHBondContact O-N 2.94Å
47K93.4Very high92.4Very high131 Ų131106.1 Ų106.157%0.5750%0.504SS*.Hα-helixtrans-64.5-44.9-179.5-168.4178.1178.9-175.50111.7K43 V44 R49 Q50 E51K43-K47 WeakPolarHBondContact O-CB 3.41Å; K43-K47 PolarHBondContact O-N 3.18Å; V44-K47 PolarHBondContact O-N 3.13Å; V44-K47 VanDerWaalsContact O-N 3.14Å; K47-R49 VanDerWaalsContact C-N 3.32Å; K47-R49 PolarHBondContact O-N 3.3Å; K47-Q50 PolarHBondContact O-N 2.93Å; K47-E51 PolarHBondContact O-N 2.9Å
48E94.4Very high92.7Very high114 Ų114104.3 Ų104.353%0.53350%0.495SS..Hα-helixtrans-59.6-42.7174.3-71.5177.9164.400111.8V44 Q50 E51 M52V44-E48 HydrophobicContact CG1-CG 4.45Å; V44-E48 WeakPolarHBondContact O-CG 3.4Å; V44-E48 PolarHBondContact O-N 3.06Å; E48-Q50 VanDerWaalsContact C-N 3.35Å; E48-Q50 PolarHBondContact O-N 3.24Å; E48-E51 PolarHBondContact O-N 2.69Å; E48-M52 WeakPolarHBondContact O-CB 3.24Å; E48-M52 VanDerWaalsContact O-CG 3.29Å; E48-M52 WeakPolarHBondContact O-CG 3.33Å; E48-M52 PolarHBondContact O-N 3.3Å
49R91.6Very high93Very high151 Ų151107.5 Ų107.557%0.5750%0.502SS*.Hα-helixtrans-66.8-37.3178.8-147.7175.9-58.7161.34.1111.7S45 I46 K47 T53S45-R49 VanDerWaalsContact O-CB 3.26Å; S45-R49 WeakPolarHBondContact O-CB 3.49Å; S45-R49 PolarHBondContact O-N 3.47Å; S45-R49 PolarHBondContact OG-NH2 2.96Å; I46-R49 PolarHBondContact O-N 2.89Å; K47-R49 VanDerWaalsContact C-N 3.32Å; K47-R49 PolarHBondContact O-N 3.3Å; R49-T53 WeakPolarHBondContact O-CB 3.35Å; R49-T53 PolarHBondContact O-N 2.95Å; R49-T53 PolarHBondContact O-OG1 3.35Å
50Q92.6Very high93.1Very high122 Ų122106.8 Ų106.857%0.5750%0.504SS*.Hα-helixtrans-64.1-46.7173.1-75.6175.7-20.700111.7I46 K47 E48 M52 T53 Q54I46-Q50 HydrophobicContact CG2-CG 4.47Å; I46-Q50 WeakPolarHBondContact O-CG 3.29Å; I46-Q50 PolarHBondContact O-N 2.94Å; K47-Q50 PolarHBondContact O-N 2.93Å; E48-Q50 VanDerWaalsContact C-N 3.35Å; E48-Q50 PolarHBondContact O-N 3.24Å; Q50-M52 PolarHBondContact O-N 2.97Å; Q50-T53 WeakPolarHBondContact O-CB 3.26Å; Q50-T53 PolarHBondContact O-N 3.49Å; Q50-Q54 PolarHBondContact O-N 3.25Å
51E94.2Very high93.3Very high95 Ų95108.2 Ų108.244%0.44451%0.511SS..Hα-helixtrans-60.9-44176.1-75.4-176.1-167.800112K47 E48 Q54 K55K47-E51 PolarHBondContact O-N 2.9Å; E48-E51 PolarHBondContact O-N 2.69Å; E51-Q54 PolarHBondContact O-N 2.91Å; E51-K55 WeakPolarHBondContact O-CG 3.12Å; E51-K55 PolarHBondContact O-N 3.42Å
52M92.9Very high93.5Very high93 Ų93109.9 Ų109.946%0.45851%0.513SS..Hα-helixtrans-62.2-44.3175.4-72.3-62.6-65.600111.4E48 Q50 Q54 K55 F56E48-M52 WeakPolarHBondContact O-CB 3.24Å; E48-M52 VanDerWaalsContact O-CG 3.29Å; E48-M52 WeakPolarHBondContact O-CG 3.33Å; E48-M52 PolarHBondContact O-N 3.3Å; Q50-M52 PolarHBondContact O-N 2.97Å; M52-Q54 VanDerWaalsContact C-N 3.28Å; M52-Q54 PolarHBondContact O-N 3.46Å; M52-K55 PolarHBondContact O-N 2.95Å; M52-F56 HydrophobicContact CE-CE2 3.72Å; M52-F56 HydrophobicContact CE-CZ 4.34Å; M52-F56 WeakPolarHBondContact O-CD2 3.45Å; M52-F56 PolarHBondContact O-N 3.35Å
53T93.3Very high93.7Very high71 Ų71108.8 Ų108.844%0.43651%0.511SS..Hα-helixtrans-59.3-40.7176.8-57.90000111.4R49 Q50 F56 K57R49-T53 WeakPolarHBondContact O-CB 3.35Å; R49-T53 PolarHBondContact O-N 2.95Å; R49-T53 PolarHBondContact O-OG1 3.35Å; Q50-T53 WeakPolarHBondContact O-CB 3.26Å; Q50-T53 PolarHBondContact O-N 3.49Å; T53-F56 PolarHBondContact O-N 3.46Å; T53-K57 WeakPolarHBondContact O-CG 3.32Å; T53-K57 PolarHBondContact O-N 3.35Å
54Q93.8Very high93.7Very high119 Ų119108.6 Ų108.656%0.55651%0.512SS*.Hα-helixtrans-68-45.3177.8-171.8164.2-6.300112Q50 E51 M52 F56 K57 E58Q50-Q54 PolarHBondContact O-N 3.25Å; E51-Q54 PolarHBondContact O-N 2.91Å; M52-Q54 VanDerWaalsContact C-N 3.28Å; M52-Q54 PolarHBondContact O-N 3.46Å; Q54-F56 VanDerWaalsContact C-N 3.29Å; Q54-F56 PolarHBondContact O-N 2.92Å; Q54-K57 WeakPolarHBondContact O-CB 3.48Å; Q54-K57 PolarHBondContact O-N 3Å; Q54-K57 VanDerWaalsContact O-N 3.13Å; Q54-E58 PolarHBondContact O-N 3.13Å
55K94.9Very high93.7Very high122 Ų122110.7 Ų110.753%0.5352%0.517SS..Hα-helixtrans-58.6-39.9174.1-72.3173.3-175.7167.70112.3E51 M52 R59E51-K55 WeakPolarHBondContact O-CG 3.12Å; E51-K55 PolarHBondContact O-N 3.42Å; M52-K55 PolarHBondContact O-N 2.95Å; K55-R59 VanDerWaalsContact O-CB 3.32Å; K55-R59 WeakPolarHBondContact O-CB 3.42Å; K55-R59 PolarHBondContact O-N 3.36Å
56F93.4Very high93.9Very high125 Ų125110.1 Ų110.155%0.54852%0.518SS..Hα-helixtrans-66.4-40.5175.4-83.5-66.4000112.3M52 T53 Q54 R59 T60M52-F56 HydrophobicContact CE-CE2 3.72Å; M52-F56 HydrophobicContact CE-CZ 4.34Å; M52-F56 WeakPolarHBondContact O-CD2 3.45Å; M52-F56 PolarHBondContact O-N 3.35Å; T53-F56 PolarHBondContact O-N 3.46Å; Q54-F56 VanDerWaalsContact C-N 3.29Å; Q54-F56 PolarHBondContact O-N 2.92Å; F56-R59 PolarHBondContact O-N 3Å; F56-T60 WeakPolarHBondContact O-CB 3.4Å; F56-T60 PolarHBondContact O-N 3.49Å; F56-T60 PolarHBondContact O-OG1 3.29Å
57K94.2Very high93.9Very high134 Ų134112 Ų11258%0.58353%0.528SS*.Hα-helixtrans-60.7-51.4174.7-77.9-179178.4-176.90111.6T53 Q54 R59 T60 E61T53-K57 WeakPolarHBondContact O-CG 3.32Å; T53-K57 PolarHBondContact O-N 3.35Å; Q54-K57 WeakPolarHBondContact O-CB 3.48Å; Q54-K57 PolarHBondContact O-N 3Å; Q54-K57 VanDerWaalsContact O-N 3.13Å; K57-R59 VanDerWaalsContact C-N 3.31Å; K57-R59 PolarHBondContact O-N 2.98Å; K57-T60 PolarHBondContact O-N 3Å; K57-T60 VanDerWaalsContact O-N 3.11Å; K57-E61 PolarHBondContact O-N 2.89Å
58E94.4Very high94Very high92 Ų92111.4 Ų111.443%0.4353%0.525SS..Hα-helixtrans-59.8-41.2178.9-71.8175.5-16700112.2Q54 T60 E61 K62Q54-E58 PolarHBondContact O-N 3.13Å; E58-T60 VanDerWaalsContact C-N 3.35Å; E58-E61 PolarHBondContact O-N 3.11Å; E58-K62 WeakPolarHBondContact O-CB 3.5Å; E58-K62 WeakPolarHBondContact O-CG 3.34Å; E58-K62 PolarHBondContact O-N 2.7Å
59R94.5Very high94Very high187 Ų187112.7 Ų112.771%0.70653%0.529SS*.Hα-helixtrans-66-39.7176.8-167.8172.7-175.4149.20.6111.6K55 F56 K57 V63K55-R59 VanDerWaalsContact O-CB 3.32Å; K55-R59 WeakPolarHBondContact O-CB 3.42Å; K55-R59 PolarHBondContact O-N 3.36Å; F56-R59 PolarHBondContact O-N 3Å; K57-R59 VanDerWaalsContact C-N 3.31Å; K57-R59 PolarHBondContact O-N 2.98Å; R59-V63 WeakPolarHBondContact O-CB 3.25Å; R59-V63 VanDerWaalsContact O-CG2 3.25Å; R59-V63 WeakPolarHBondContact O-CG2 3.46Å; R59-V63 PolarHBondContact O-N 3.3Å
60T93.2Very high94.1Very high80 Ų80110.5 Ų110.549%0.49153%0.528SS..Hα-helixtrans-66.1-43.6178-55.70000111F56 K57 E58 V63 M64F56-T60 WeakPolarHBondContact O-CB 3.4Å; F56-T60 PolarHBondContact O-N 3.49Å; F56-T60 PolarHBondContact O-OG1 3.29Å; K57-T60 PolarHBondContact O-N 3Å; K57-T60 VanDerWaalsContact O-N 3.11Å; E58-T60 VanDerWaalsContact C-N 3.35Å; T60-V63 PolarHBondContact O-N 3.49Å; T60-M64 HydrophobicContact CG2-CE 4.29Å; T60-M64 WeakPolarHBondContact O-CB 3.32Å; T60-M64 PolarHBondContact O-N 2.98Å
61E94.9Very high94.2Very high127 Ų127110.2 Ų110.259%0.59353%0.527SS*.Hα-helixtrans-61.6-47.6175.3-76.7176177.300112K57 E58 V63 M64 E65K57-E61 PolarHBondContact O-N 2.89Å; E58-E61 PolarHBondContact O-N 3.11Å; E61-V63 VanDerWaalsContact C-N 3.35Å; E61-V63 PolarHBondContact O-N 2.92Å; E61-M64 PolarHBondContact O-N 2.87Å; E61-M64 VanDerWaalsContact O-N 3.15Å; E61-E65 PolarHBondContact O-N 3.15Å
62K95.4Very high94.2Very high150 Ų150110 Ų11065%0.65253%0.528SS*.Hα-helixtrans-58.9-44.1176.9-77.3-179.3-177.61760112.6E58 M64 E65 G66E58-K62 WeakPolarHBondContact O-CB 3.5Å; E58-K62 WeakPolarHBondContact O-CG 3.34Å; E58-K62 PolarHBondContact O-N 2.7Å; K62-M64 VanDerWaalsContact C-N 3.33Å; K62-E65 PolarHBondContact O-N 3.02Å; K62-G66 PolarHBondContact O-N 3.33Å
63V95.2Very high94.3Very high84 Ų84108.4 Ų108.451%0.50953%0.526SS..Hα-helixtrans-64.3-41.2177.2169.50000110.6R59 T60 E61 G66 L67R59-V63 WeakPolarHBondContact O-CB 3.25Å; R59-V63 VanDerWaalsContact O-CG2 3.25Å; R59-V63 WeakPolarHBondContact O-CG2 3.46Å; R59-V63 PolarHBondContact O-N 3.3Å; T60-V63 PolarHBondContact O-N 3.49Å; E61-V63 VanDerWaalsContact C-N 3.35Å; E61-V63 PolarHBondContact O-N 2.92Å; V63-G66 PolarHBondContact O-N 3.42Å; V63-L67 HydrophobicContact CG1-CD1 4.15Å; V63-L67 WeakPolarHBondContact O-CB 3.47Å; V63-L67 PolarHBondContact O-N 2.88Å
64M93.6Very high94.3Very high94 Ų94111.1 Ų111.146%0.46353%0.532SS..Hα-helixtrans-67.4-38.8179.9-151.7-168.3-47.200112.2T60 E61 K62 K68T60-M64 HydrophobicContact CG2-CE 4.29Å; T60-M64 WeakPolarHBondContact O-CB 3.32Å; T60-M64 PolarHBondContact O-N 2.98Å; E61-M64 PolarHBondContact O-N 2.87Å; E61-M64 VanDerWaalsContact O-N 3.15Å; K62-M64 VanDerWaalsContact C-N 3.33Å; M64-K68 VanDerWaalsContact O-CG 3.32Å; M64-K68 WeakPolarHBondContact O-CG 3.33Å; M64-K68 PolarHBondContact O-N 3.05Å
65E94.5Very high94.4Very high119 Ų119111.8 Ų111.856%0.55653%0.533SS*.Hα-helixtrans-65.1-42.6171.8-82.6-169.4159.900112.4E61 K62 K68 K69E61-E65 PolarHBondContact O-N 3.15Å; K62-E65 PolarHBondContact O-N 3.02Å; E65-K68 PolarHBondContact O-N 2.93Å; E65-K69 WeakPolarHBondContact O-CG 3.38Å; E65-K69 PolarHBondContact O-N 3.4Å
66G94.5Very high94.4Very high28 Ų28112.1 Ų112.129%0.28954%0.537SS..Hα-helixtrans-57.1-51.5174.500000111.5K62 V63 K68 K69 D70K62-G66 PolarHBondContact O-N 3.33Å; V63-G66 PolarHBondContact O-N 3.42Å; G66-K68 VanDerWaalsContact C-N 3.31Å; G66-K68 PolarHBondContact O-N 3.29Å; G66-K69 PolarHBondContact O-N 3.23Å; G66-K69 VanDerWaalsContact O-N 3.13Å; G66-D70 VanDerWaalsContact O-CG 3.26Å; G66-D70 PolarHBondContact O-N 2.94Å
67L93.9Very high94.4Very high113 Ų113112.3 Ų112.359%0.59254%0.539SS*.Hα-helixtrans-57.3-40.6176.7-105.1151.3000113.2V63 Q71V63-L67 HydrophobicContact CG1-CD1 4.15Å; V63-L67 WeakPolarHBondContact O-CB 3.47Å; V63-L67 PolarHBondContact O-N 2.88Å; L67-Q71 VanDerWaalsContact O-CB 3.27Å; L67-Q71 WeakPolarHBondContact O-CB 3.48Å; L67-Q71 PolarHBondContact O-N 3.45Å
68K94.8Very high94.5Very high119 Ų119111.2 Ų111.252%0.51754%0.538SS..Hα-helixtrans-65.7-44176.5-75.7174.2-175.7175.70111.7M64 E65 G66 Q71 I72M64-K68 VanDerWaalsContact O-CG 3.32Å; M64-K68 WeakPolarHBondContact O-CG 3.33Å; M64-K68 PolarHBondContact O-N 3.05Å; E65-K68 PolarHBondContact O-N 2.93Å; G66-K68 VanDerWaalsContact C-N 3.31Å; G66-K68 PolarHBondContact O-N 3.29Å; K68-Q71 PolarHBondContact O-N 2.89Å; K68-I72 VanDerWaalsContact O-CG1 3.27Å; K68-I72 WeakPolarHBondContact O-CG1 3.27Å; K68-I72 PolarHBondContact O-N 3.13Å
69K94.4Very high94.5Very high141 Ų141109.8 Ų109.861%0.61354%0.541SS*.Hα-helixtrans-62.7-45.4176.7-74.2178.7-178174.50111.2E65 G66 Q71 I72 S73E65-K69 WeakPolarHBondContact O-CG 3.38Å; E65-K69 PolarHBondContact O-N 3.4Å; G66-K69 PolarHBondContact O-N 3.23Å; G66-K69 VanDerWaalsContact O-N 3.13Å; K69-Q71 VanDerWaalsContact C-N 3.34Å; K69-Q71 PolarHBondContact O-N 2.99Å; K69-I72 PolarHBondContact O-N 3.4Å; K69-S73 PolarHBondContact O-N 2.93Å
70D92.9Very high94.6Very high105 Ų105103.2 Ų103.256%0.56153%0.527SS*.Hα-helixtrans-61.2-44.6177.6-66.3-14.5000110.7G66 I72 S73 F74G66-D70 VanDerWaalsContact O-CG 3.26Å; G66-D70 PolarHBondContact O-N 2.94Å; D70-I72 VanDerWaalsContact C-N 3.34Å; D70-I72 PolarHBondContact O-N 3.31Å; D70-S73 PolarHBondContact O-N 3.12Å; D70-S73 PolarHBondContact O-OG 3.3Å; D70-F74 WeakPolarHBondContact O-CB 3.27Å; D70-F74 PolarHBondContact O-N 3.41Å
71Q94.5Very high94.7Very high116 Ų116104.2 Ų104.254%0.54253%0.526SS..Hα-helixtrans-61.7-39.4177-171.4179.22500112.7L67 K68 K69 K75L67-Q71 VanDerWaalsContact O-CB 3.27Å; L67-Q71 WeakPolarHBondContact O-CB 3.48Å; L67-Q71 PolarHBondContact O-N 3.45Å; K68-Q71 PolarHBondContact O-N 2.89Å; K69-Q71 VanDerWaalsContact C-N 3.34Å; K69-Q71 PolarHBondContact O-N 2.99Å; Q71-K75 WeakPolarHBondContact O-CG 3.38Å; Q71-K75 PolarHBondContact O-N 2.81Å; Q71-K75 VanDerWaalsContact O-N 3.15Å
72I94.9Very high94.7Very high92 Ų92104.6 Ų104.647%0.47253%0.526SS..Hα-helixtrans-66.2-50.1175.3-68.4164.3000109.8K68 K69 D70 F74 K75 E76K68-I72 VanDerWaalsContact O-CG1 3.27Å; K68-I72 WeakPolarHBondContact O-CG1 3.27Å; K68-I72 PolarHBondContact O-N 3.13Å; K69-I72 PolarHBondContact O-N 3.4Å; D70-I72 VanDerWaalsContact C-N 3.34Å; D70-I72 PolarHBondContact O-N 3.31Å; I72-F74 VanDerWaalsContact C-N 3.28Å; I72-F74 PolarHBondContact O-N 2.86Å; I72-K75 PolarHBondContact O-N 2.93Å; I72-K75 VanDerWaalsContact O-N 3.12Å; I72-E76 HydrophobicContact CG2-CG 4.4Å; I72-E76 WeakPolarHBondContact O-CG 3.35Å; I72-E76 PolarHBondContact O-N 2.9Å
73S94.8Very high94.7Very high59 Ų59100.4 Ų100.441%0.41352%0.519SS..Hα-helixtrans-58.5-40.8-179.6790000112.2K69 D70 E76 Q77K69-S73 PolarHBondContact O-N 2.93Å; D70-S73 PolarHBondContact O-N 3.12Å; D70-S73 PolarHBondContact O-OG 3.3Å; S73-E76 PolarHBondContact O-N 2.94Å; S73-Q77 WeakPolarHBondContact O-CB 3.32Å; S73-Q77 PolarHBondContact O-N 2.88Å
74F94.1Very high94.8Very high127 Ų127102.5 Ų102.556%0.55752%0.521SS*.Hα-helixtrans-67.1-40.2178.8-173-96.3000111.6D70 I72 Q77 M78D70-F74 WeakPolarHBondContact O-CB 3.27Å; D70-F74 PolarHBondContact O-N 3.41Å; I72-F74 VanDerWaalsContact C-N 3.28Å; I72-F74 PolarHBondContact O-N 2.86Å; F74-Q77 PolarHBondContact O-N 3.26Å; F74-M78 HydrophobicContact CD1-CG 4.04Å; F74-M78 HydrophobicContact CE1-CG 3.65Å; F74-M78 HydrophobicContact CE1-SD 4.4Å; F74-M78 HydrophobicContact CZ-CG 3.97Å; F74-M78 HydrophobicContact CZ-SD 4.25Å; F74-M78 WeakPolarHBondContact O-CB 3.47Å; F74-M78 VanDerWaalsContact O-CG 3.32Å; F74-M78 WeakPolarHBondContact O-CG 3.42Å; F74-M78 PolarHBondContact O-N 2.91Å
75K94.8Very high94.9Very high134 Ų134102.2 Ų102.258%0.58352%0.521SS*.Hα-helixtrans-64.7-42.4175.1-79.1-179.1178.4-178.90112Q71 I72 M78 A79Q71-K75 WeakPolarHBondContact O-CG 3.38Å; Q71-K75 PolarHBondContact O-N 2.81Å; Q71-K75 VanDerWaalsContact O-N 3.15Å; I72-K75 PolarHBondContact O-N 2.93Å; I72-K75 VanDerWaalsContact O-N 3.12Å; K75-M78 PolarHBondContact O-N 3.36Å; K75-A79 WeakPolarHBondContact O-CB 3.35Å; K75-A79 PolarHBondContact O-N 3.15Å
76E95.1Very high95Very high128 Ų128100.3 Ų100.360%0.59852%0.515SS*.Hα-helixtrans-62.7-44.2176.2-72.4174.9171.100111.1I72 S73 A79 A80I72-E76 HydrophobicContact CG2-CG 4.4Å; I72-E76 WeakPolarHBondContact O-CG 3.35Å; I72-E76 PolarHBondContact O-N 2.9Å; S73-E76 PolarHBondContact O-N 2.94Å; E76-A79 PolarHBondContact O-N 3.33Å; E76-A80 WeakPolarHBondContact O-CB 3.45Å; E76-A80 PolarHBondContact O-N 3.47Å
77Q94.8Very high95Very high130 Ų130101.2 Ų101.261%0.60752%0.52SS*.Hα-helixtrans-64.9-43.1177.9-161.4174.417.600112S73 F74 A79 A80 E81S73-Q77 WeakPolarHBondContact O-CB 3.32Å; S73-Q77 PolarHBondContact O-N 2.88Å; F74-Q77 PolarHBondContact O-N 3.26Å; Q77-A79 VanDerWaalsContact C-N 3.33Å; Q77-A79 PolarHBondContact O-N 2.91Å; Q77-A80 PolarHBondContact O-N 3.47Å; Q77-E81 PolarHBondContact O-N 3.44Å
78M94.6Very high95.1Very high111 Ų111101.2 Ų101.255%0.54752%0.52SS..Hα-helixtrans-62.2-39.3173.7-79.2-64.7-58.600112.4F74 K75 K82F74-M78 HydrophobicContact CD1-CG 4.04Å; F74-M78 HydrophobicContact CE1-CG 3.65Å; F74-M78 HydrophobicContact CE1-SD 4.4Å; F74-M78 HydrophobicContact CZ-CG 3.97Å; F74-M78 HydrophobicContact CZ-SD 4.25Å; F74-M78 WeakPolarHBondContact O-CB 3.47Å; F74-M78 VanDerWaalsContact O-CG 3.32Å; F74-M78 WeakPolarHBondContact O-CG 3.42Å; F74-M78 PolarHBondContact O-N 2.91Å; K75-M78 PolarHBondContact O-N 3.36Å; M78-K82 VanDerWaalsContact O-CB 3.27Å; M78-K82 WeakPolarHBondContact O-CB 3.36Å; M78-K82 PolarHBondContact O-N 3.34Å
79A95.8Very high95.1Very high61 Ų61101 Ų10150%0.50452%0.519SS..Hα-helixtrans-67.5-41.7176.500000111.6K75 E76 Q77 K82 A83K75-A79 WeakPolarHBondContact O-CB 3.35Å; K75-A79 PolarHBondContact O-N 3.15Å; E76-A79 PolarHBondContact O-N 3.33Å; Q77-A79 VanDerWaalsContact C-N 3.33Å; Q77-A79 PolarHBondContact O-N 2.91Å; A79-K82 PolarHBondContact O-N 3.4Å; A79-A83 WeakPolarHBondContact O-CB 3.46Å; A79-A83 PolarHBondContact O-N 3.02Å
80A95.8Very high95.2Very high50 Ų50100 Ų10041%0.41352%0.516SS..Hα-helixtrans-64.2-45.3177.100000112.1E76 Q77 A83 K84E76-A80 WeakPolarHBondContact O-CB 3.45Å; E76-A80 PolarHBondContact O-N 3.47Å; Q77-A80 PolarHBondContact O-N 3.47Å; A80-A83 PolarHBondContact O-N 3.35Å; A80-K84 WeakPolarHBondContact O-CG 3.49Å; A80-K84 PolarHBondContact O-N 2.94Å
81E94.5Very high95.4Very high100 Ų100100.2 Ų100.247%0.46751%0.514SS..Hα-helixtrans-66.4-37.3176.2-76.4-57.6134.100112.2Q77 K84 L85Q77-E81 PolarHBondContact O-N 3.44Å; E81-K84 PolarHBondContact O-N 2.91Å; E81-K84 IonicContact OE1-NZ 2.72Å; E81-K84 PolarHBondContact OE1-NZ 3Å; E81-L85 WeakPolarHBondContact O-CB 3.27Å; E81-L85 PolarHBondContact O-N 3.46Å
82K95.8Very high95.4Very high136 Ų13699.5 Ų99.559%0.59151%0.514SS*.Hα-helixtrans-62.7-43.9173.6-171.6177.4179.7-177.40111.8M78 A79 K84 L85 D86M78-K82 VanDerWaalsContact O-CB 3.27Å; M78-K82 WeakPolarHBondContact O-CB 3.36Å; M78-K82 PolarHBondContact O-N 3.34Å; A79-K82 PolarHBondContact O-N 3.4Å; K82-K84 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 2.94Å; K82-L85 PolarHBondContact O-N 2.98Å; K82-D86 PolarHBondContact O-N 3.45Å
83A96.3Very high95.4Very high61 Ų6198.7 Ų98.750%0.50452%0.516SS..Hα-helixtrans-62.3-40.1176.900000112.2A79 A80 D86 A87A79-A83 WeakPolarHBondContact O-CB 3.46Å; A79-A83 PolarHBondContact O-N 3.02Å; A80-A83 PolarHBondContact O-N 3.35Å; A83-D86 PolarHBondContact O-N 3.49Å; A83-A87 WeakPolarHBondContact O-CB 3.42Å; A83-A87 PolarHBondContact O-N 2.91Å
84K96.2Very high95.5Very high128 Ų128101 Ų10156%0.55752%0.52SS*.Hα-helixtrans-63-43.2173.1-72.1179.5-169.9167.30112.3A80 E81 K82 D86 A87 L88A80-K84 WeakPolarHBondContact O-CG 3.49Å; A80-K84 PolarHBondContact O-N 2.94Å; E81-K84 PolarHBondContact O-N 2.91Å; E81-K84 IonicContact OE1-NZ 2.72Å; E81-K84 PolarHBondContact OE1-NZ 3Å; K82-K84 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 2.94Å; K84-D86 VanDerWaalsContact C-N 3.32Å; K84-D86 PolarHBondContact O-N 2.96Å; K84-A87 PolarHBondContact O-N 3Å; K84-L88 WeakPolarHBondContact O-CB 3.31Å; K84-L88 PolarHBondContact O-N 3.45Å
85L95.6Very high95.6Very high89 Ų8999.5 Ų99.547%0.46652%0.517SS..Hα-helixtrans-63.1-41.1178.8-174.571.1000111.6E81 K82 L88 K89E81-L85 WeakPolarHBondContact O-CB 3.27Å; E81-L85 PolarHBondContact O-N 3.46Å; K82-L85 PolarHBondContact O-N 2.98Å; L85-L88 PolarHBondContact O-N 3.23Å; L85-K89 VanDerWaalsContact O-CG 3.31Å; L85-K89 WeakPolarHBondContact O-CG 3.47Å; L85-K89 PolarHBondContact O-N 3.37Å
86D96.1Very high95.6Very high78 Ų7897.8 Ų97.842%0.41751%0.512SS..Hα-helixtrans-68.3-39.4178.4-68.3-22.9000111.2K82 A83 K84 K89 Q90K82-D86 PolarHBondContact O-N 3.45Å; A83-D86 PolarHBondContact O-N 3.49Å; K84-D86 VanDerWaalsContact C-N 3.32Å; K84-D86 PolarHBondContact O-N 2.96Å; D86-K89 PolarHBondContact O-N 3.22Å; D86-Q90 PolarHBondContact O-N 3.47Å
87A96.2Very high95.7Very high48 Ų4897 Ų9740%0.39751%0.509SS..Hα-helixtrans-62.5-45.7172.700000112.2A83 K84 K89 Q90 E91A83-A87 WeakPolarHBondContact O-CB 3.42Å; A83-A87 PolarHBondContact O-N 2.91Å; K84-A87 PolarHBondContact O-N 3Å; A87-K89 VanDerWaalsContact C-N 3.32Å; A87-K89 PolarHBondContact O-N 3.1Å; A87-Q90 WeakPolarHBondContact O-CB 3.49Å; A87-Q90 PolarHBondContact O-N 2.98Å; A87-Q90 VanDerWaalsContact O-N 3.14Å; A87-E91 PolarHBondContact O-N 3.46Å
88L95.5Very high95.7Very high112 Ų11296.5 Ų96.559%0.58651%0.507SS*.Hα-helixtrans-63.7-38.2179.2-157.481.8000111.9K84 L85 Q90 E91 D92K84-L88 WeakPolarHBondContact O-CB 3.31Å; K84-L88 PolarHBondContact O-N 3.45Å; L85-L88 PolarHBondContact O-N 3.23Å; L88-Q90 VanDerWaalsContact C-N 3.32Å; L88-E91 PolarHBondContact O-N 2.94Å; L88-D92 WeakPolarHBondContact O-CB 3.37Å; L88-D92 PolarHBondContact O-N 3.38Å
89K95.5Very high95.7Very high115 Ų11596.1 Ų96.150%0.551%0.506SS..Hα-helixtrans-65.2-37.3174.4-77.4174.1-179.1173.30112.3L85 D86 A87 D92 C93L85-K89 VanDerWaalsContact O-CG 3.31Å; L85-K89 WeakPolarHBondContact O-CG 3.47Å; L85-K89 PolarHBondContact O-N 3.37Å; D86-K89 PolarHBondContact O-N 3.22Å; A87-K89 VanDerWaalsContact C-N 3.32Å; A87-K89 PolarHBondContact O-N 3.1Å; K89-D92 PolarHBondContact O-N 3.02Å; K89-C93 PolarHBondContact O-N 2.97Å; K89-C93 PolarHBondContact O-SG 3.42Å; K89-C93 VanDerWaalsContact O-SG 3.38Å
90Q96.1Very high95.7Very high120 Ų12098.9 Ų98.956%0.56151%0.508SS*.Hα-helixtrans-66.1-46176.6-173.9175.9-17.400110.8D86 A87 L88 D92 C93 E94D86-Q90 PolarHBondContact O-N 3.47Å; A87-Q90 WeakPolarHBondContact O-CB 3.49Å; A87-Q90 PolarHBondContact O-N 2.98Å; A87-Q90 VanDerWaalsContact O-N 3.14Å; L88-Q90 VanDerWaalsContact C-N 3.32Å; Q90-D92 VanDerWaalsContact C-N 3.32Å; Q90-D92 PolarHBondContact O-N 3.14Å; Q90-C93 WeakPolarHBondContact O-CB 3.41Å; Q90-C93 PolarHBondContact O-N 3.41Å; Q90-E94 PolarHBondContact NE2-OE1 3.44Å; Q90-E94 VanDerWaalsContact NE2-OE1 3.1Å; Q90-E94 WeakPolarHBondContact O-CG 3.47Å; Q90-E94 PolarHBondContact O-N 3.06Å
91E96.1Very high95.7Very high110 Ų110105 Ų10551%0.51452%0.521SS..Hα-helixtrans-58.2-42.9173.8-72.6177.2-173.700111.8A87 L88 C93 E94 L95A87-E91 PolarHBondContact O-N 3.46Å; L88-E91 PolarHBondContact O-N 2.94Å; E91-C93 VanDerWaalsContact C-N 3.34Å; E91-C93 PolarHBondContact O-N 2.87Å; E91-E94 PolarHBondContact O-N 3.24Å; E91-L95 WeakPolarHBondContact O-CB 3.39Å; E91-L95 PolarHBondContact O-N 3.46Å
92D95.1Very high95.7Very high100 Ų100105.7 Ų105.754%0.53553%0.527SS..Hα-helixtrans-64.3-38178.7-158.247.9000111.9L88 K89 Q90 M96L88-D92 WeakPolarHBondContact O-CB 3.37Å; L88-D92 PolarHBondContact O-N 3.38Å; K89-D92 PolarHBondContact O-N 3.02Å; Q90-D92 VanDerWaalsContact C-N 3.32Å; Q90-D92 PolarHBondContact O-N 3.14Å; D92-M96 VanDerWaalsContact O-CB 3.26Å; D92-M96 WeakPolarHBondContact O-CB 3.39Å; D92-M96 PolarHBondContact O-N 3Å
93C95.3Very high95.6Very high76 Ų76105 Ų10551%0.51453%0.526SS..Hα-helixtrans-64.1-46.2171.8-74.50000112.1K89 Q90 E91 M96 E97K89-C93 PolarHBondContact O-N 2.97Å; K89-C93 PolarHBondContact O-SG 3.42Å; K89-C93 VanDerWaalsContact O-SG 3.38Å; Q90-C93 WeakPolarHBondContact O-CB 3.41Å; Q90-C93 PolarHBondContact O-N 3.41Å; E91-C93 VanDerWaalsContact C-N 3.34Å; E91-C93 PolarHBondContact O-N 2.87Å; C93-M96 PolarHBondContact O-N 2.89Å; C93-E97 PolarHBondContact O-N 3.06Å
94E96.2Very high95.5Very high107 Ų107104.8 Ų104.850%0.552%0.524SS..Hα-helixtrans-62.2-46179.2-71.4173.1-166.400111.4Q90 E91 M96 E97 E98Q90-E94 PolarHBondContact NE2-OE1 3.44Å; Q90-E94 VanDerWaalsContact NE2-OE1 3.1Å; Q90-E94 WeakPolarHBondContact O-CG 3.47Å; Q90-E94 PolarHBondContact O-N 3.06Å; E91-E94 PolarHBondContact O-N 3.24Å; E94-M96 VanDerWaalsContact C-N 3.34Å; E94-M96 PolarHBondContact O-N 3.32Å; E94-E97 PolarHBondContact O-N 3.44Å; E94-E98 PolarHBondContact O-N 2.99Å
95L96.3Very high95.4Very high95 Ų95103 Ų10350%0.49752%0.518SS..Hα-helixtrans-61.3-39.7175.2-85.2155.1000112.5E91 E98 L99E91-L95 WeakPolarHBondContact O-CB 3.39Å; E91-L95 PolarHBondContact O-N 3.46Å; L95-E98 PolarHBondContact O-N 2.8Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 WeakPolarHBondContact O-CG 3.45Å; L95-L99 PolarHBondContact O-N 3.34Å
96M95.7Very high95.3Very high98 Ų98104 Ų10448%0.48352%0.524SS..Hα-helixtrans-66.5-39.9178.7-165.2-174.2-5200111.7D92 C93 E94 L99 Q100D92-M96 VanDerWaalsContact O-CB 3.26Å; D92-M96 WeakPolarHBondContact O-CB 3.39Å; D92-M96 PolarHBondContact O-N 3Å; C93-M96 PolarHBondContact O-N 2.89Å; E94-M96 VanDerWaalsContact C-N 3.34Å; E94-M96 PolarHBondContact O-N 3.32Å; M96-L99 PolarHBondContact O-N 3.24Å; M96-Q100 WeakPolarHBondContact O-CG 3.49Å; M96-Q100 PolarHBondContact O-N 2.95Å; M96-Q100 VanDerWaalsContact O-N 3.09Å
97E95.9Very high95.2Very high111 Ų111107.1 Ų107.152%0.51954%0.535SS..Hα-helixtrans-64.7-41173.3-72-175.6-172.900111.9C93 E94 Q100 R101C93-E97 PolarHBondContact O-N 3.06Å; E94-E97 PolarHBondContact O-N 3.44Å; E97-Q100 PolarHBondContact O-N 3.3Å; E97-R101 WeakPolarHBondContact O-CG 3.39Å; E97-R101 PolarHBondContact O-N 2.9Å
98E95.4Very high95Very high121 Ų121109.5 Ų109.557%0.56554%0.537SS*.Hα-helixtrans-63.6-43.8176.6-120.9-179.5-173.300111.9E94 L95 Q100 R101 L102E94-E98 PolarHBondContact O-N 2.99Å; L95-E98 PolarHBondContact O-N 2.8Å; E98-Q100 VanDerWaalsContact C-N 3.34Å; E98-Q100 PolarHBondContact O-N 3.49Å; E98-R101 PolarHBondContact O-N 2.98Å; E98-L102 WeakPolarHBondContact O-CG 3.42Å; E98-L102 PolarHBondContact O-N 3.5Å
99L94.9Very high94.7Very high103 Ų103108.7 Ų108.754%0.53953%0.53SS..Hα-helixtrans-59-44.5175.1-85.3168.9000111.9L95 M96 R101 L102 Q103L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 WeakPolarHBondContact O-CG 3.45Å; L95-L99 PolarHBondContact O-N 3.34Å; M96-L99 PolarHBondContact O-N 3.24Å; L99-R101 PolarHBondContact O-N 3.27Å; L99-L102 PolarHBondContact O-N 3.44Å; L99-Q103 WeakPolarHBondContact O-CB 3.39Å; L99-Q103 VanDerWaalsContact O-CG 3.32Å; L99-Q103 WeakPolarHBondContact O-CG 3.26Å; L99-Q103 PolarHBondContact O-N 2.94Å
100Q95.3Very high94.4Very high118 Ų118107.8 Ų107.855%0.55153%0.531SS*.Hα-helixtrans-63.8-40.3177.4-74.1178.1-0.200112M96 E97 E98 A104M96-Q100 WeakPolarHBondContact O-CG 3.49Å; M96-Q100 PolarHBondContact O-N 2.95Å; M96-Q100 VanDerWaalsContact O-N 3.09Å; E97-Q100 PolarHBondContact O-N 3.3Å; E98-Q100 VanDerWaalsContact C-N 3.34Å; E98-Q100 PolarHBondContact O-N 3.49Å; Q100-A104 PolarHBondContact O-N 3.38Å
101R96.6Very high93.9Very high178 Ų178104.8 Ų104.867%0.67252%0.523SS*.Hα-helixtrans-63.8-46.3174.9-73.9-174.2-157177.510.6112.1E97 E98 L99 Q103 A104 E105E97-R101 WeakPolarHBondContact O-CG 3.39Å; E97-R101 PolarHBondContact O-N 2.9Å; E98-R101 PolarHBondContact O-N 2.98Å; L99-R101 PolarHBondContact O-N 3.27Å; R101-Q103 VanDerWaalsContact C-N 3.33Å; R101-Q103 PolarHBondContact O-N 3.48Å; R101-A104 PolarHBondContact O-N 3.24Å; R101-E105 PolarHBondContact O-N 3.02Å
102L94.1Very high93.2Very high115 Ų115103.3 Ų103.360%0.60252%0.516SS*.Hα-helixtrans-64-38.8179.6-72.7173.1000111.8E98 L99 E105 L106E98-L102 WeakPolarHBondContact O-CG 3.42Å; E98-L102 PolarHBondContact O-N 3.5Å; L99-L102 PolarHBondContact O-N 3.44Å; L102-E105 PolarHBondContact O-N 3.37Å; L102-L106 WeakPolarHBondContact O-CB 3.32Å; L102-L106 PolarHBondContact O-N 2.91Å
103Q93.3Very high92.5Very high121 Ų121103.4 Ų103.457%0.56552%0.517SS*.Hα-helixtrans-62-44.5173.8-77.8177.7-21.400111.9L99 R101 E105 L106 E107L99-Q103 WeakPolarHBondContact O-CB 3.39Å; L99-Q103 VanDerWaalsContact O-CG 3.32Å; L99-Q103 WeakPolarHBondContact O-CG 3.26Å; L99-Q103 PolarHBondContact O-N 2.94Å; R101-Q103 VanDerWaalsContact C-N 3.33Å; R101-Q103 PolarHBondContact O-N 3.48Å; Q103-E105 PolarHBondContact O-N 2.93Å; Q103-L106 PolarHBondContact O-N 3.42Å; Q103-E107 PolarHBondContact O-N 3.29Å
104A94.5Very high91.6Very high57 Ų57102.6 Ų102.647%0.47152%0.515SS..Hα-helixtrans-64.3-39.1177.800000112.5Q100 R101 K108Q100-A104 PolarHBondContact O-N 3.38Å; R101-A104 PolarHBondContact O-N 3.24Å; A104-K108 WeakPolarHBondContact O-CB 3.35Å; A104-K108 PolarHBondContact O-N 3.06Å; A104-K108 VanDerWaalsContact O-N 3.15Å
105E94.8Very high90.5Very high92 Ų92102.8 Ų102.843%0.4352%0.516SS..Hα-helixtrans-68-39.1175.6-161.966.7-140.500111.4R101 L102 Q103 K108 E109R101-E105 PolarHBondContact O-N 3.02Å; L102-E105 PolarHBondContact O-N 3.37Å; Q103-E105 PolarHBondContact O-N 2.93Å; E105-K108 WeakPolarHBondContact O-CB 3.5Å; E105-K108 PolarHBondContact O-N 3.09Å; E105-K108 IonicContact OE1-NZ 2.73Å; E105-K108 PolarHBondContact OE1-NZ 3.38Å; E105-K108 IonicContact OE2-NZ 3.87Å; E105-E109 WeakPolarHBondContact O-CG 3.28Å; E105-E109 PolarHBondContact O-N 2.91Å
106L93Very high89.3Confident110 Ų110103.3 Ų103.358%0.57652%0.519SS*.Hα-helixtrans-62-46.7176.1-167.979.7000111.7L102 Q103 K108 E109 D110L102-L106 WeakPolarHBondContact O-CB 3.32Å; L102-L106 PolarHBondContact O-N 2.91Å; Q103-L106 PolarHBondContact O-N 3.42Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 PolarHBondContact O-N 3.23Å; L106-E109 PolarHBondContact O-N 3.27Å; L106-D110 WeakPolarHBondContact O-CB 3.37Å; L106-D110 PolarHBondContact O-N 3.48Å
107E93.7Very high88.1Confident143 Ų143106.2 Ų106.267%0.66853%0.529SS*.Hα-helixtrans-60.4-38.1177-75.1-176.1170.800112Q103 S111Q103-E107 PolarHBondContact O-N 3.29Å; E107-S111 WeakPolarHBondContact O-CB 3.47Å; E107-S111 PolarHBondContact O-N 2.89Å
108K92.8Very high86.6Confident97 Ų97106.2 Ų106.242%0.42253%0.529SS..Hα-helixtrans-66.3-47.3176.3179.2-179153.5-135.10111.3A104 E105 L106 S111 Q112A104-K108 WeakPolarHBondContact O-CB 3.35Å; A104-K108 PolarHBondContact O-N 3.06Å; A104-K108 VanDerWaalsContact O-N 3.15Å; E105-K108 WeakPolarHBondContact O-CB 3.5Å; E105-K108 PolarHBondContact O-N 3.09Å; E105-K108 IonicContact OE1-NZ 2.73Å; E105-K108 PolarHBondContact OE1-NZ 3.38Å; E105-K108 IonicContact OE2-NZ 3.87Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 PolarHBondContact O-N 3.23Å; K108-S111 PolarHBondContact O-N 2.77Å; K108-S111 PolarHBondContact O-OG 3.18Å; K108-Q112 WeakPolarHBondContact O-CG 3.26Å; K108-Q112 PolarHBondContact O-N 2.84Å; K108-Q112 VanDerWaalsContact O-N 3.07Å
109E88.9Confident85Confident96 Ų96108.2 Ų108.245%0.44953%0.531SS..Hα-helixtrans-62.9-42.7176-73.4-61.5128.400111.9E105 L106 S111 Q112 N113E105-E109 WeakPolarHBondContact O-CG 3.28Å; E105-E109 PolarHBondContact O-N 2.91Å; L106-E109 PolarHBondContact O-N 3.27Å; E109-S111 VanDerWaalsContact C-N 3.3Å; E109-S111 PolarHBondContact O-N 3.29Å; E109-Q112 PolarHBondContact O-N 3.35Å; E109-N113 WeakPolarHBondContact O-CB 3.45Å; E109-N113 PolarHBondContact O-N 3.15Å
110D88.4Confident83.3Confident96 Ų96106 Ų10651%0.51353%0.527SS..Hα-helixtrans-60.4-40.3175.7-83.1-22.5000111.6L106 N113 A114L106-D110 WeakPolarHBondContact O-CB 3.37Å; L106-D110 PolarHBondContact O-N 3.48Å; D110-N113 PolarHBondContact O-N 3.37Å; D110-A114 WeakPolarHBondContact O-CB 3.41Å; D110-A114 PolarHBondContact O-N 2.98Å
111S86.3Confident81.6Confident57 Ų57105.1 Ų105.140%0.39952%0.523SS..Hα-helixtrans-64.6-40.1175.878.50000112.7E107 K108 E109 Q115E107-S111 WeakPolarHBondContact O-CB 3.47Å; E107-S111 PolarHBondContact O-N 2.89Å; K108-S111 PolarHBondContact O-N 2.77Å; K108-S111 PolarHBondContact O-OG 3.18Å; E109-S111 VanDerWaalsContact C-N 3.3Å; E109-S111 PolarHBondContact O-N 3.29Å; S111-Q115 WeakPolarHBondContact O-CG 3.41Å; S111-Q115 PolarHBondContact O-N 2.9Å; S111-Q115 VanDerWaalsContact O-N 3.16Å
112Q81.3Confident79.7Confident79 Ų7997.1 Ų97.137%0.36949%0.494SS..Hα-helixtrans-68.2-42.4176.4-70.4-177.714.800111.2K108 E109 A114 Q115 L116K108-Q112 WeakPolarHBondContact O-CG 3.26Å; K108-Q112 PolarHBondContact O-N 2.84Å; K108-Q112 VanDerWaalsContact O-N 3.07Å; E109-Q112 PolarHBondContact O-N 3.35Å; Q112-A114 VanDerWaalsContact C-N 3.33Å; Q112-A114 PolarHBondContact O-N 2.88Å; Q112-Q115 PolarHBondContact O-N 2.84Å; Q112-L116 WeakPolarHBondContact O-CG 3.36Å; Q112-L116 PolarHBondContact O-N 3.07Å
113N79.6Confident77.7Confident102 Ų10296.5 Ų96.555%0.54549%0.487SS..Hα-helixtrans-66.1-37.3179.1-160.412.3000111.5E109 D110 L116 K117E109-N113 WeakPolarHBondContact O-CB 3.45Å; E109-N113 PolarHBondContact O-N 3.15Å; D110-N113 PolarHBondContact O-N 3.37Å; N113-L116 PolarHBondContact O-N 3.42Å; N113-K117 VanDerWaalsContact O-CB 3.28Å; N113-K117 WeakPolarHBondContact O-CB 3.36Å; N113-K117 PolarHBondContact O-N 2.99Å
114A77.1Confident75.8Confident58 Ų5895.5 Ų95.548%0.47949%0.493SS..Hα-helixtrans-60.6-46.1172.200000111.9D110 Q112 L116 K117 E118D110-A114 WeakPolarHBondContact O-CB 3.41Å; D110-A114 PolarHBondContact O-N 2.98Å; Q112-A114 VanDerWaalsContact C-N 3.33Å; Q112-A114 PolarHBondContact O-N 2.88Å; A114-L116 PolarHBondContact O-N 3.3Å; A114-K117 PolarHBondContact O-N 3.21Å; A114-E118 WeakPolarHBondContact O-CB 3.44Å; A114-E118 PolarHBondContact O-N 3.07Å
115Q72.3Confident74.2Confident112 Ų11294 Ų9452%0.52348%0.476SS..Hα-helixtrans-62.5-42176.1-70.1172.814.500112.2S111 Q112 E118 R119S111-Q115 WeakPolarHBondContact O-CG 3.41Å; S111-Q115 PolarHBondContact O-N 2.9Å; S111-Q115 VanDerWaalsContact O-N 3.16Å; Q112-Q115 PolarHBondContact O-N 2.84Å; Q115-E118 PolarHBondContact O-N 3.36Å; Q115-R119 WeakPolarHBondContact O-CG 3.47Å; Q115-R119 PolarHBondContact O-N 2.99Å
116L71.8Confident72.8Confident105 Ų10594 Ų9455%0.5548%0.477SS..Hα-helixtrans-64.5-41.2176.7-74.5168.6000111.7Q112 N113 A114 R119 A120Q112-L116 WeakPolarHBondContact O-CG 3.36Å; Q112-L116 PolarHBondContact O-N 3.07Å; N113-L116 PolarHBondContact O-N 3.42Å; A114-L116 PolarHBondContact O-N 3.3Å; L116-R119 PolarHBondContact O-N 2.67Å; L116-A120 WeakPolarHBondContact O-CB 3.36Å; L116-A120 PolarHBondContact O-N 3.4Å
117K69.2Low71.2Confident159 Ų15991.1 Ų91.169%0.69147%0.465SS*.Hα-helixtrans-67.1-38.6178.2-167.7176.8-176179.60112.1N113 A114 A120 H121N113-K117 VanDerWaalsContact O-CB 3.28Å; N113-K117 WeakPolarHBondContact O-CB 3.36Å; N113-K117 PolarHBondContact O-N 2.99Å; A114-K117 PolarHBondContact O-N 3.21Å; K117-A120 PolarHBondContact O-N 3.31Å; K117-H121 WeakPolarHBondContact O-CB 3.49Å; K117-H121 PolarHBondContact O-N 3.01Å
118E65Low69.5Low111 Ų11190.9 Ų90.952%0.51946%0.464SS..Hα-helixtrans-62.9-48.1173.6-173.5172.7-161.900111A114 Q115 A120 H121 V122A114-E118 WeakPolarHBondContact O-CB 3.44Å; A114-E118 PolarHBondContact O-N 3.07Å; Q115-E118 PolarHBondContact O-N 3.36Å; E118-A120 PolarHBondContact O-N 2.91Å; E118-H121 WeakPolarHBondContact O-CB 3.07Å; E118-H121 PolarHBondContact O-N 3.25Å; E118-H121 VanDerWaalsContact O-N 3.13Å; E118-V122 PolarHBondContact O-N 3.16Å; E118-V122 VanDerWaalsContact O-N 3.13Å
119R61.6Low67.7Low163 Ų16392.1 Ų92.162%0.61547%0.469SS*.Hα-helixtrans-57.3-46.7173.4-73.7-178.9-180-179.41.6112.1Q115 L116 H121 V122 F123Q115-R119 WeakPolarHBondContact O-CG 3.47Å; Q115-R119 PolarHBondContact O-N 2.99Å; L116-R119 PolarHBondContact O-N 2.67Å; R119-H121 VanDerWaalsContact C-N 3.27Å; R119-H121 PolarHBondContact O-N 2.87Å; R119-V122 WeakPolarHBondContact O-CB 3.4Å; R119-V122 PolarHBondContact O-N 3.41Å; R119-V122 VanDerWaalsContact O-N 3.09Å; R119-F123 WeakPolarHBondContact O-CD2 3.43Å; R119-F123 PolarHBondContact O-N 3.43Å; R119-F123 VanDerWaalsContact O-N 3.1Å
120A60.4Low65.6Low56 Ų5694.5 Ų94.546%0.46349%0.485SS..Hα-helixtrans-60.8-35.4177.300000112.7L116 K117 E118 V122 F123 S124L116-A120 WeakPolarHBondContact O-CB 3.36Å; L116-A120 PolarHBondContact O-N 3.4Å; K117-A120 PolarHBondContact O-N 3.31Å; E118-A120 PolarHBondContact O-N 2.91Å; A120-V122 VanDerWaalsContact C-N 3.32Å; A120-V122 PolarHBondContact O-N 3.5Å; A120-F123 WeakPolarHBondContact O-CB 3.45Å; A120-F123 PolarHBondContact O-N 3.45Å; A120-S124 PolarHBondContact O-N 2.96Å
121H58.6Low63.6Low100 Ų10097.2 Ų97.246%0.46349%0.492SS..Hα-helixtrans-68-31.8175.8-166-76.3000112.3K117 E118 R119 S124K117-H121 WeakPolarHBondContact O-CB 3.49Å; K117-H121 PolarHBondContact O-N 3.01Å; E118-H121 WeakPolarHBondContact O-CB 3.07Å; E118-H121 PolarHBondContact O-N 3.25Å; E118-H121 VanDerWaalsContact O-N 3.13Å; R119-H121 VanDerWaalsContact C-N 3.27Å; R119-H121 PolarHBondContact O-N 2.87Å; H121-S124 PolarHBondContact O-N 3.41Å
122V57.3Low61.6Low11 Ų11100.7 Ų100.77%0.06751%0.511CS..Hα-helixtrans-66.9-40.2170.2-176.90000110.5E118 R119 A120 S124 K125 I211 P293E118-V122 PolarHBondContact O-N 3.16Å; E118-V122 VanDerWaalsContact O-N 3.13Å; R119-V122 WeakPolarHBondContact O-CB 3.4Å; R119-V122 PolarHBondContact O-N 3.41Å; R119-V122 VanDerWaalsContact O-N 3.09Å; A120-V122 VanDerWaalsContact C-N 3.32Å; A120-V122 PolarHBondContact O-N 3.5Å; V122-S124 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 3.41Å; V122-K125 PolarHBondContact O-N 3.19Å; V122-K125 VanDerWaalsContact O-N 3.17Å; V122-I211 HydrophobicContact CB-CD1 4.39Å; V122-I211 HydrophobicContact CG1-CD1 3.76Å; V122-P293 HydrophobicContact CG1-CB 4.21Å; V122-P293 HydrophobicContact CG1-CG 3.97Å
123F52.6Low59.6Low101 Ų101104.2 Ų104.244%0.44353%0.526SS..Hα-helixtrans-64.9-30.3173.9-73.5-73.4000113.5R119 A120 K125 M126 I211R119-F123 WeakPolarHBondContact O-CD2 3.43Å; R119-F123 PolarHBondContact O-N 3.43Å; R119-F123 VanDerWaalsContact O-N 3.1Å; A120-F123 WeakPolarHBondContact O-CB 3.45Å; A120-F123 PolarHBondContact O-N 3.45Å; F123-K125 PolarHBondContact O-N 3.48Å; F123-K125 VanDerWaalsContact O-N 3.16Å; F123-M126 WeakPolarHBondContact O-CG 3.47Å; F123-I211 HydrophobicContact CD1-CD1 3.62Å; F123-I211 HydrophobicContact CD1-CG1 4.34Å; F123-I211 HydrophobicContact CD2-CD1 4.21Å; F123-I211 HydrophobicContact CE1-CD1 3.43Å; F123-I211 VanDerWaalsContact CE1-CD1 3.43Å; F123-I211 HydrophobicContact CE1-CG1 3.9Å; F123-I211 HydrophobicContact CE2-CD1 4.02Å; F123-I211 HydrophobicContact CG-CD1 4.01Å; F123-I211 HydrophobicContact CZ-CD1 3.63Å; F123-I211 HydrophobicContact CZ-CG1 4.32Å
124S52.8Low58Low100 Ų100104.9 Ų104.970%0.69954%0.538SS*.THydrogen-bonded Turntrans-65.8-14.3174.9-174.70000113.6A120 H121 V122A120-S124 PolarHBondContact O-N 2.96Å; H121-S124 PolarHBondContact O-N 3.41Å; V122-S124 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 3.41Å
125K60.4Low56.2Low26 Ų26104.3 Ų104.311%0.11354%0.538CS..THydrogen-bonded Turntrans-105.536.3-176.3-64.8-177.8168.9-174.60112.5V122 F123 A273 L274 E276 T292 P293V122-K125 PolarHBondContact O-N 3.19Å; V122-K125 VanDerWaalsContact O-N 3.17Å; F123-K125 PolarHBondContact O-N 3.48Å; F123-K125 VanDerWaalsContact O-N 3.16Å; K125-A273 WeakPolarHBondContact CD-O 3.32Å; K125-A273 PolarHBondContact NZ-O 3.49Å; K125-L274 VanDerWaalsContact NZ-C 3.28Å; K125-L274 PolarHBondContact NZ-O 2.95Å; K125-E276 HydrophobicContact CD-CB 4.41Å; K125-E276 WeakPolarHBondContact CE-OE2 3.5Å; K125-E276 IonicContact NZ-OE2 2.77Å; K125-T292 WeakPolarHBondContact O-CG2 3.48Å; K125-P293 VanDerWaalsContact O-CD 3.32Å; K125-P293 WeakPolarHBondContact O-CD 3.14Å
126M64.9Low55.1Low93 Ų93108.8 Ų108.846%0.45856%0.556SS.*PPolyproline II helixtrans-59.5154.1179.4-88.5-169.6121.500112.6F123 E128 V295F123-M126 WeakPolarHBondContact O-CG 3.47Å; M126-E128 PolarHBondContact O-N 2.95Å; M126-V295 HydrophobicContact CE-CG1 4.26Å; M126-V295 HydrophobicContact CE-CG2 3.93Å
127P60.1Low53.8Low48 Ų48111.3 Ų111.331%0.31258%0.576SS.*PPolyproline II helixtrans-49.6132.5170.8-27.935.9000111.9K129 L217P127-K129 PolarHBondContact O-N 3.13Å; P127-L217 HydrophobicContact CB-CD2 3.7Å; P127-L217 HydrophobicContact CG-CD2 3.83Å
128E58.1Low52.7Low138 Ų138106.2 Ų106.265%0.64557%0.568SS**PPolyproline II helixtrans-72.6125.9175.4-101.5168.8-163.700109.9M126 R290M126-E128 PolarHBondContact O-N 2.95Å; E128-R290 VanDerWaalsContact CB-NH2 3.3Å; E128-R290 VanDerWaalsContact CD-CZ 3.45Å; E128-R290 VanDerWaalsContact CD-NH2 3.31Å; E128-R290 IonicContact OE1-CZ 3.88Å; E128-R290 IonicContact OE1-NH1 3.56Å; E128-R290 PolarHBondContact OE1-NH1 3.22Å; E128-R290 IonicContact OE1-NH2 3.84Å; E128-R290 IonicContact OE2-CZ 2.72Å; E128-R290 IonicContact OE2-NH1 3.64Å; E128-R290 PolarHBondContact OE2-NH1 2.8Å; E128-R290 IonicContact OE2-NH2 2.81Å
129K54.3Low51.7Low124 Ų124110 Ų11054%0.53958%0.583SS.*  trans-106122.5155.9-167.2169.3-178.8179.50106.5P127 F131P127-K129 PolarHBondContact O-N 3.13Å; K129-F131 HydrophobicContact CB-CD2 4.42Å; K129-F131 HydrophobicContact CB-CE2 3.87Å; K129-F131 HydrophobicContact CB-CZ 4.19Å; K129-F131 HydrophobicContact CD-CZ 4.31Å; K129-F131 HydrophobicContact CG-CE2 4.48Å; K129-F131 HydrophobicContact CG-CZ 4.46Å; K129-F131 WeakPolarHBondContact O-CD2 3.12Å; K129-F131 WeakPolarHBondContact O-CE2 3.16Å; K129-F131 PolarHBondContact O-N 3.21Å
130N45.8Very low51.1Low146 Ų146107.6 Ų107.678%0.78160%0.598SS**  trans-68.4103.6174.7-70.4-44.8000108
131F45.8Very low50.3Low152 Ų152112.6 Ų112.667%0.66762%0.617SS**  trans-84112.4171.5-68.5-86.7000108.2K129 F133K129-F131 HydrophobicContact CB-CD2 4.42Å; K129-F131 HydrophobicContact CB-CE2 3.87Å; K129-F131 HydrophobicContact CB-CZ 4.19Å; K129-F131 HydrophobicContact CD-CZ 4.31Å; K129-F131 HydrophobicContact CG-CE2 4.48Å; K129-F131 HydrophobicContact CG-CZ 4.46Å; K129-F131 WeakPolarHBondContact O-CD2 3.12Å; K129-F131 WeakPolarHBondContact O-CE2 3.16Å; K129-F131 PolarHBondContact O-N 3.21Å; F131-F133 PolarHBondContact O-N 3.41Å
132V44.5Very low49.6Very low131 Ų131113.5 Ų113.579%0.79463%0.625SS**  trans-81.896.3166.7-177.90000106.3S134V132-S134 PolarHBondContact O-N 2.81Å
133F39.8Very low49Very low153 Ų153117.1 Ų117.167%0.67166%0.656SS**  trans-7590.8177.7-147.5-93.6000109.4F131 G135 E144F131-F133 PolarHBondContact O-N 3.41Å; F133-G135 PolarHBondContact O-N 2.89Å; F133-E144 VanDerWaalsContact CE2-OE1 3.26Å; F133-E144 WeakPolarHBondContact CE2-OE1 3.47Å
134S45.6Very low48.7Very low115 Ų115119.3 Ų119.380%0.80467%0.668SS**  trans-88.127.8174.656.40000112.5V132V132-S134 PolarHBondContact O-N 2.81Å
135G39.9Very low48.4Very low47 Ų47123.5 Ų123.549%0.48568%0.676SS.*  trans-83.1122.7-17200000114.8F133F133-G135 PolarHBondContact O-N 2.89Å
136K48Very low48Very low205 Ų205129.4 Ų129.489%0.89170%0.702SS**  trans-70.9132150.1-71175.3-178.7170.80107.5G138K136-G138 PolarHBondContact O-N 3.33Å
137T44.5Very low47.5Very low158 Ų158131.8 Ų131.897%0.96971%0.712SS**  trans-66.694.3-173.95.80000112
138G47.4Very low47.5Very low52 Ų52134.9 Ų134.954%0.53672%0.724SS.*  trans-91.4168168.600000112.6K136K136-G138 PolarHBondContact O-N 3.33Å
139K43.9Very low47.9Very low192 Ų192132.9 Ų132.984%0.83571%0.713SS**  trans-75.9160.8-172.5-71.8178.2178.4175.60112.3D141 D142K139-D141 PolarHBondContact O-N 3.41Å; K139-D142 PolarHBondContact O-N 2.86Å
140A48.4Very low48.6Very low111 Ų111128.2 Ų128.292%0.91770%0.695SS**THydrogen-bonded Turntrans-5912.4-171.400000119.3
141D44.7Very low50.2Low162 Ų162128.3 Ų128.387%0.86669%0.691SS**THydrogen-bonded Turntrans-97-3.9170-106.1-9.1000112.3K139 A143K139-D141 PolarHBondContact O-N 3.41Å; D141-A143 VanDerWaalsContact C-N 3.3Å; D141-A143 PolarHBondContact O-N 3.49Å
142D43.6Very low51.9Low118 Ų118122.5 Ų122.563%0.63167%0.667SS**  trans-7781.3177.2-67.6-28.9000109.4K139 E144K139-D142 PolarHBondContact O-N 2.86Å; D142-E144 PolarHBondContact O-N 3.04Å
143A44.5Very low53.9Low87 Ų87125.5 Ų125.572%0.71966%0.663SS**  trans-57121.1161.800000107.8D141 E145D141-A143 VanDerWaalsContact C-N 3.3Å; D141-A143 PolarHBondContact O-N 3.49Å; A143-E145 PolarHBondContact O-N 3.47Å
144E44.8Very low56.1Low148 Ų148120.7 Ų120.769%0.69264%0.641SS**  trans-61.8101.3176.1-74.8172-174.800108.9F133 D142 F146F133-E144 VanDerWaalsContact CE2-OE1 3.26Å; F133-E144 WeakPolarHBondContact CE2-OE1 3.47Å; D142-E144 PolarHBondContact O-N 3.04Å; E144-F146 PolarHBondContact O-N 2.84Å
145E48.4Very low58.1Low188 Ų188119.4 Ų119.488%0.87963%0.63SS**  trans-65.7118.3176.3-81.9-178.5166.100108.9A143 E147A143-E145 PolarHBondContact O-N 3.47Å; E145-E147 PolarHBondContact O-N 3.23Å
146F51.4Low60.4Low149 Ų149117.7 Ų117.765%0.65461%0.61SS**  trans-67.5107.7171.6-172.8-92000108.6E144 M148E144-F146 PolarHBondContact O-N 2.84Å; F146-M148 HydrophobicContact CD1-CB 4.16Å; F146-M148 HydrophobicContact CE1-CB 4.3Å; F146-M148 PolarHBondContact O-N 2.91Å
147E53.3Low62.2Low144 Ų144115.3 Ų115.367%0.67360%0.602SS**  trans-72.391.8175.9-165.1-180-172.300109.7E145E145-E147 PolarHBondContact O-N 3.23Å
148M60.3Low64.3Low113 Ų113113.4 Ų113.456%0.55758%0.582SS**  trans-82.6125.1167.6-174.4174.4177.900107.9F146 P150F146-M148 HydrophobicContact CD1-CB 4.16Å; F146-M148 HydrophobicContact CE1-CB 4.3Å; F146-M148 PolarHBondContact O-N 2.91Å; M148-P150 WeakPolarHBondContact O-CD 3.42Å
149K67.7Low66.2Low95 Ų95111.1 Ų111.141%0.41356%0.558SS.*  trans-86.596.3169.3-67.9-173.4178.9-1730109.2H151K149-H151 PolarHBondContact O-ND1 2.91Å
150P68.5Low68.5Low26 Ų26102.2 Ų102.217%0.16952%0.52CS..  trans-70.9137-178.931-36.2000110.3M148 I152 M201M148-P150 WeakPolarHBondContact O-CD 3.42Å; P150-I152 HydrophobicContact CB-CD1 4.32Å; P150-I152 HydrophobicContact CB-CG1 4.22Å; P150-M201 HydrophobicContact CB-CE 4.4Å; P150-M201 HydrophobicContact CG-CE 3.68Å
151H78.8Confident70.5Confident149 Ų14997 Ų9769%0.6948%0.476SS*.  trans-113.395.8169.1-69.583.2000108.1K149 F361K149-H151 PolarHBondContact O-ND1 2.91Å; H151-F361 CarbonylContact C-O 3.58Å; H151-F361 WeakPolarHBondContact CA-O 3.24Å
152I82.4Confident72.8Confident30 Ų3089.6 Ų89.615%0.15444%0.437CS..EExtended strand (participates in β ladder)trans-93.7125.8-172.1-63.5168000109.3P150 L199 M201 F361P150-I152 HydrophobicContact CB-CD1 4.32Å; P150-I152 HydrophobicContact CB-CG1 4.22Å; I152-L199 HydrophobicContact CD1-CB 4.3Å; I152-L199 HydrophobicContact CD1-CD1 4.3Å; I152-L199 HydrophobicContact CG2-CD2 4.15Å; I152-M201 HydrophobicContact CD1-CE 4.13Å; I152-M201 HydrophobicContact CD1-SD 3.15Å; I152-M201 WeakPolarHBondContact CD1-SD 3.34Å; I152-F361 HydrophobicContact CB-CB 4.28Å; I152-F361 PolarHBondContact N-O 3.09Å; I152-F361 PolarHBondContact O-N 3.09Å
153R85.7Confident75.1Confident193 Ų19384 Ų8473%0.72841%0.407SS*.EExtended strand (participates in β ladder)trans-90.1115.5174.1-58.7-173.2174.7168.7-1.3108.9L360R153-L360 HydrophobicContact CB-CD2 4.43Å; R153-L360 HydrophobicContact CG-CD2 3.68Å
154Y85.5Confident77.3Confident52 Ų5281.1 Ų81.120%0.20438%0.381CS..EExtended strand (participates in β ladder)trans-107.7117179.1-176.8-92.4000110.1M156 L162 V197 L199 A359 F361Y154-M156 HydrophobicContact CD1-CG 4.19Å; Y154-M156 HydrophobicContact CE1-CG 4.46Å; Y154-M156 PolarHBondContact O-N 3.1Å; Y154-L162 HydrophobicContact CD1-CD1 4.02Å; Y154-L162 HydrophobicContact CE1-CD1 4.37Å; Y154-V197 HydrophobicContact CE2-CG1 4.23Å; Y154-L199 HydrophobicContact CD2-CD2 3.66Å; Y154-L199 HydrophobicContact CE2-CD2 4.4Å; Y154-L199 HydrophobicContact CG-CD2 4.31Å; Y154-A359 PolarHBondContact N-O 3.04Å; Y154-A359 PolarHBondContact O-N 3.34Å; Y154-F361 HydrophobicContact CD1-CE2 4.38Å; Y154-F361 AromaticContact CG-CE2 3.96Å; Y154-F361 HydrophobicContact CG-CE2 3.96Å
155P88.3Confident79.5Confident88 Ų8874.1 Ų74.157%0.57135%0.348SS*.EExtended strand (participates in β ladder)trans-74.6125.3176.630.1-32000110.7L358P155-L358 HydrophobicContact CB-CD2 4.06Å
156M88.1Confident81.4Confident12 Ų1270.1 Ų70.16%0.05933%0.329CS..EExtended strand (participates in β ladder)trans-92.9134.4176.2-63-177.867.500110.6Y154 L162 L349 N351 T357 A359Y154-M156 HydrophobicContact CD1-CG 4.19Å; Y154-M156 HydrophobicContact CE1-CG 4.46Å; Y154-M156 PolarHBondContact O-N 3.1Å; M156-L162 HydrophobicContact CE-CB 4.26Å; M156-L162 HydrophobicContact CE-CD1 4.06Å; M156-L162 HydrophobicContact CE-CG 3.9Å; M156-L162 HydrophobicContact CG-CD1 3.98Å; M156-L162 HydrophobicContact SD-CD1 3.75Å; M156-L162 HydrophobicContact SD-CG 4.27Å; M156-L349 WeakPolarHBondContact CE-O 3.35Å; M156-L349 HydrophobicContact SD-CD2 3.58Å; M156-L349 VanDerWaalsContact SD-CD2 3.58Å; M156-L349 HydrophobicContact SD-CG 3.82Å; M156-N351 HydrophobicContact CB-CB 4.02Å; M156-N351 HydrophobicContact CE-CB 4.03Å; M156-N351 PolarHBondContact O-ND2 3.16Å; M156-N351 HydrophobicContact SD-CB 4.44Å; M156-T357 WeakPolarHBondContact CB-O 3.1Å; M156-T357 PolarHBondContact N-O 3.42Å; M156-T357 HydrophobicContact SD-CG2 4.14Å; M156-A359 HydrophobicContact CG-CB 4.33Å; M156-A359 HydrophobicContact SD-CB 4.16Å
157E86.9Confident83.2Confident154 Ų15468.9 Ų68.972%0.7233%0.325SS*.PPolyproline II helixtrans-74.2158.9171.6-63-173.1167.900110.6T160 N351E157-T160 HydrophobicContact CB-CG2 3.96Å; E157-T160 WeakPolarHBondContact O-CB 3.27Å; E157-T160 WeakPolarHBondContact O-CG2 3.35Å; E157-T160 PolarHBondContact O-OG1 3.18Å; E157-N351 VanDerWaalsContact C-ND2 3.29Å; E157-N351 PolarHBondContact O-ND2 3.17Å
158E88.1Confident84.9Confident119 Ų11967.2 Ų67.256%0.55632%0.318SS*.THydrogen-bonded Turntrans-67.6140.2-179.374.2179.2169.600111.3V353 G354E158-V353 HydrophobicContact CG-CG1 4.45Å; E158-G354 PolarHBondContact OE2-N 3.13Å
159G87.3Confident86.3Confident4 Ų467.3 Ų67.34%0.04132%0.321CS..THydrogen-bonded Turntrans70.333.5-175.900000113.8I318 N351G159-I318 WeakPolarHBondContact CA-O 3.32Å; G159-I318 WeakPolarHBondContact O-CB 3.42Å; G159-I318 PolarHBondContact O-N 3.05Å; G159-I318 VanDerWaalsContact O-N 3.12Å; G159-N351 WeakPolarHBondContact CA-O 3.44Å; G159-N351 PolarHBondContact N-O 2.69Å
160T91.9Very high87.4Confident5 Ų563.5 Ų63.53%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-123.3152.5176.967.60000112.5E157 L315 T316 Y350 N351E157-T160 HydrophobicContact CB-CG2 3.96Å; E157-T160 WeakPolarHBondContact O-CB 3.27Å; E157-T160 WeakPolarHBondContact O-CG2 3.35Å; E157-T160 PolarHBondContact O-OG1 3.18Å; T160-L315 CarbonylContact C-O 3.54Å; T160-L315 WeakPolarHBondContact CA-O 3.48Å; T160-L315 WeakPolarHBondContact CB-O 3.4Å; T160-T316 HydrophobicContact CG2-CG2 4Å; T160-Y350 WeakPolarHBondContact O-CD2 3.4Å; T160-N351 PolarHBondContact N-O 3.02Å; T160-N351 PolarHBondContact O-N 3.38Å
161A91.2Very high88.3Confident0 Ų062.2 Ų62.20%030%0.297CS..EExtended strand (participates in β ladder)trans-132.3139.717400000111.2L314 L315 I318 F348 L349 Y350A161-L314 CarbonylContact O-C 3.58Å; A161-L314 WeakPolarHBondContact O-CA 3.24Å; A161-L315 HydrophobicContact CB-CB 4.27Å; A161-L315 HydrophobicContact CB-CD1 4.5Å; A161-L315 PolarHBondContact N-O 3.5Å; A161-L315 PolarHBondContact O-N 3.11Å; A161-I318 HydrophobicContact CB-CD1 3.57Å; A161-F348 HydrophobicContact CB-CE1 4.47Å; A161-F348 HydrophobicContact CB-CE2 4.46Å; A161-F348 HydrophobicContact CB-CZ 3.94Å; A161-L349 CarbonylContact C-O 3.55Å; A161-L349 VanDerWaalsContact CA-O 3.24Å; A161-L349 WeakPolarHBondContact CA-O 3.47Å; A161-Y350 HydrophobicContact CB-CD2 4.08Å
162L92.4Very high88.8Confident7 Ų757.5 Ų57.54%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-102.3131.2170.6-77.5167.2000109.1Y154 M156 V197 T312 V313 L314 F348 L349 A359 F361Y154-L162 HydrophobicContact CD1-CD1 4.02Å; Y154-L162 HydrophobicContact CE1-CD1 4.37Å; M156-L162 HydrophobicContact CE-CB 4.26Å; M156-L162 HydrophobicContact CE-CD1 4.06Å; M156-L162 HydrophobicContact CE-CG 3.9Å; M156-L162 HydrophobicContact CG-CD1 3.98Å; M156-L162 HydrophobicContact SD-CD1 3.75Å; M156-L162 HydrophobicContact SD-CG 4.27Å; L162-V197 HydrophobicContact CD2-CG2 3.42Å; L162-V197 VanDerWaalsContact CD2-CG2 3.42Å; L162-T312 HydrophobicContact CD2-CG2 3.88Å; L162-V313 WeakPolarHBondContact CA-O 3.45Å; L162-L314 HydrophobicContact CD2-CB 4.13Å; L162-L314 HydrophobicContact CD2-CD1 3.81Å; L162-L314 HydrophobicContact CG-CD1 4.01Å; L162-F348 WeakPolarHBondContact O-CA 3.14Å; L162-L349 HydrophobicContact CB-CB 4.48Å; L162-L349 PolarHBondContact N-O 2.65Å; L162-L349 PolarHBondContact O-N 3.19Å; L162-A359 HydrophobicContact CD1-CB 3.39Å; L162-F361 HydrophobicContact CD1-CE2 4.17Å; L162-F361 HydrophobicContact CD1-CZ 4.05Å; L162-F361 HydrophobicContact CD2-CZ 4.37Å
163I91.8Very high89.1Confident1 Ų159.8 Ų59.81%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-123.1121.9175.4-46.9-171.7000108F165 T312 V313 L315 F335 I345 F348I163-F165 HydrophobicContact CB-CE2 4.04Å; I163-F165 HydrophobicContact CB-CZ 4.16Å; I163-F165 HydrophobicContact CG2-CD1 4.37Å; I163-F165 HydrophobicContact CG2-CD2 4.23Å; I163-F165 HydrophobicContact CG2-CE1 3.86Å; I163-F165 HydrophobicContact CG2-CE2 3.71Å; I163-F165 HydrophobicContact CG2-CZ 3.51Å; I163-T312 CarbonylContact O-C 3.58Å; I163-T312 VanDerWaalsContact O-CA 3.26Å; I163-T312 WeakPolarHBondContact O-CA 3.4Å; I163-T312 WeakPolarHBondContact O-CG2 3.15Å; I163-V313 PolarHBondContact N-O 2.78Å; I163-V313 PolarHBondContact O-N 2.65Å; I163-L315 HydrophobicContact CD1-CD1 3.46Å; I163-L315 VanDerWaalsContact CD1-CD1 3.46Å; I163-L315 HydrophobicContact CD1-CG 4.16Å; I163-L315 HydrophobicContact CG1-CD1 4.14Å; I163-L315 HydrophobicContact CG1-CG 4.47Å; I163-F335 HydrophobicContact CD1-CB 3.9Å; I163-F335 HydrophobicContact CD1-CD1 4.43Å; I163-F335 HydrophobicContact CD1-CD2 3.57Å; I163-F335 HydrophobicContact CD1-CE2 4.27Å; I163-F335 HydrophobicContact CD1-CG 3.7Å; I163-I345 HydrophobicContact CG2-CD1 4.08Å; I163-I345 HydrophobicContact CG2-CG1 4.01Å; I163-I345 HydrophobicContact CG2-CG2 3.91Å; I163-F348 HydrophobicContact CB-CD2 4.4Å; I163-F348 HydrophobicContact CD1-CD2 3.9Å; I163-F348 HydrophobicContact CD1-CE2 3.6Å; I163-F348 HydrophobicContact CG1-CD2 3.61Å; I163-F348 HydrophobicContact CG1-CE2 3.62Å; I163-F348 HydrophobicContact CG2-CD2 4.32Å
164T91.3Very high89.3Confident27 Ų2750.6 Ų50.617%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-104.7121.6170.4-590000108.4R311 T312 E346 A347T164-R311 WeakPolarHBondContact CA-O 3.19Å; T164-R311 HydrophobicContact CG2-CB 4.38Å; T164-T312 PolarHBondContact OG1-OG1 3.26Å; T164-E346 HydrophobicContact CG2-CB 4.33Å; T164-E346 PolarHBondContact O-N 3.31Å; T164-A347 PolarHBondContact N-O 3.5Å; T164-A347 PolarHBondContact O-N 3.41Å
165F90.6Very high89.4Confident1 Ų149.5 Ų49.50%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-93.7153.8177.4-62.3-83.6000110.5I163 E167 V170 A171 I174 R311 V313 F335 E344 I345I163-F165 HydrophobicContact CB-CE2 4.04Å; I163-F165 HydrophobicContact CB-CZ 4.16Å; I163-F165 HydrophobicContact CG2-CD1 4.37Å; I163-F165 HydrophobicContact CG2-CD2 4.23Å; I163-F165 HydrophobicContact CG2-CE1 3.86Å; I163-F165 HydrophobicContact CG2-CE2 3.71Å; I163-F165 HydrophobicContact CG2-CZ 3.51Å; F165-E167 VanDerWaalsContact C-N 3.32Å; F165-V170 HydrophobicContact CB-CB 4.37Å; F165-V170 HydrophobicContact CB-CG1 4.41Å; F165-V170 HydrophobicContact CD1-CB 4.38Å; F165-V170 HydrophobicContact CD1-CG1 3.54Å; F165-V170 HydrophobicContact CD2-CG1 4.48Å; F165-V170 HydrophobicContact CE1-CG1 3.83Å; F165-V170 HydrophobicContact CG-CB 4.34Å; F165-V170 HydrophobicContact CG-CG1 3.89Å; F165-V170 HydrophobicContact CZ-CG1 4.41Å; F165-A171 HydrophobicContact CD2-CB 3.89Å; F165-I174 HydrophobicContact CE2-CG1 4.45Å; F165-I174 HydrophobicContact CZ-CG1 4.16Å; F165-R311 PolarHBondContact N-O 3.34Å; F165-R311 WeakPolarHBondContact O-CB 3.47Å; F165-V313 HydrophobicContact CD2-CG2 4.46Å; F165-V313 HydrophobicContact CE2-CB 4.36Å; F165-V313 HydrophobicContact CE2-CG2 4.01Å; F165-F335 HydrophobicContact CE1-CB 4.4Å; F165-F335 HydrophobicContact CZ-CB 4.28Å; F165-E344 WeakPolarHBondContact CA-O 3.28Å; F165-I345 HydrophobicContact CD1-CG1 4.05Å; F165-I345 HydrophobicContact CE1-CG1 3.93Å
166E88.4Confident89.5Confident104 Ų10452.8 Ų52.849%0.48627%0.267SS..SBendtrans-64.5-41.9172.5-66.6-164178.800111R311 E344 E346E166-R311 WeakPolarHBondContact O-CD 3.25Å; E166-R311 PolarHBondContact O-NH1 3.26Å; E166-E344 HydrophobicContact CG-CB 4.21Å; E166-E344 PolarHBondContact N-O 3.33Å; E166-E346 HydrophobicContact CG-CB 4.1Å
167E89.1Confident89.4Confident122 Ų12257.3 Ų57.357%0.5729%0.286SS*.  trans-100.1132.5-178.9-63.5-177.7-177.400112.6F165 D169 V170F165-E167 VanDerWaalsContact C-N 3.32Å; E167-D169 VanDerWaalsContact C-N 3.33Å; E167-D169 PolarHBondContact O-N 2.86Å; E167-V170 HydrophobicContact CB-CB 4.49Å; E167-V170 HydrophobicContact CB-CG2 3.94Å; E167-V170 PolarHBondContact O-N 2.92Å
168E89.3Confident89.2Confident109 Ų10958.2 Ų58.251%0.50928%0.283SS..Hα-helixtrans-64.2-35.9174.5173.5172.1-174.200112.6V170 A171 A172 P310 R311E168-V170 VanDerWaalsContact C-N 3.25Å; E168-V170 PolarHBondContact O-N 3.27Å; E168-A171 WeakPolarHBondContact O-CB 3.41Å; E168-A171 PolarHBondContact O-N 3.48Å; E168-A171 VanDerWaalsContact O-N 3.16Å; E168-A172 PolarHBondContact O-N 3.03Å; E168-P310 HydrophobicContact CB-CB 4.37Å; E168-P310 HydrophobicContact CG-CB 3.64Å; E168-P310 WeakPolarHBondContact OE1-CB 3.38Å; E168-R311 HydrophobicContact CB-CG 4.02Å
169D89.4Confident89.3Confident116 Ų11659.4 Ų59.462%0.6229%0.286SS*.Hα-helixtrans-61.6-35.4-178.9-68.4-36000112E167 A172 N173E167-D169 VanDerWaalsContact C-N 3.33Å; E167-D169 PolarHBondContact O-N 2.86Å; D169-A172 PolarHBondContact O-N 3.42Å; D169-N173 VanDerWaalsContact O-CG 3.25Å; D169-N173 PolarHBondContact O-N 3.3Å; D169-N173 PolarHBondContact O-ND2 3.46Å
170V89.5Confident89.3Confident14 Ų1459.6 Ų59.69%0.08529%0.286CS..Hα-helixtrans-65.3-47.7176.2176.80000110.3F165 E167 E168 A172 N173 I174F165-V170 HydrophobicContact CB-CB 4.37Å; F165-V170 HydrophobicContact CB-CG1 4.41Å; F165-V170 HydrophobicContact CD1-CB 4.38Å; F165-V170 HydrophobicContact CD1-CG1 3.54Å; F165-V170 HydrophobicContact CD2-CG1 4.48Å; F165-V170 HydrophobicContact CE1-CG1 3.83Å; F165-V170 HydrophobicContact CG-CB 4.34Å; F165-V170 HydrophobicContact CG-CG1 3.89Å; F165-V170 HydrophobicContact CZ-CG1 4.41Å; E167-V170 HydrophobicContact CB-CB 4.49Å; E167-V170 HydrophobicContact CB-CG2 3.94Å; E167-V170 PolarHBondContact O-N 2.92Å; E168-V170 VanDerWaalsContact C-N 3.25Å; E168-V170 PolarHBondContact O-N 3.27Å; V170-A172 VanDerWaalsContact C-N 3.33Å; V170-A172 PolarHBondContact O-N 3.02Å; V170-N173 PolarHBondContact O-N 3.22Å; V170-I174 WeakPolarHBondContact O-CG1 3.28Å; V170-I174 PolarHBondContact O-N 2.83Å
171A89.1Confident89Confident0 Ų065.8 Ų65.80%031%0.313CS..Hα-helixtrans-59.7-43.5177.700000111.6F165 E168 N173 I174 L175 P310 V313F165-A171 HydrophobicContact CD2-CB 3.89Å; E168-A171 WeakPolarHBondContact O-CB 3.41Å; E168-A171 PolarHBondContact O-N 3.48Å; E168-A171 VanDerWaalsContact O-N 3.16Å; A171-N173 PolarHBondContact O-N 3.04Å; A171-I174 PolarHBondContact O-N 2.88Å; A171-L175 VanDerWaalsContact O-CG 3.28Å; A171-L175 WeakPolarHBondContact O-CG 3.43Å; A171-L175 PolarHBondContact O-N 2.86Å; A171-P310 VanDerWaalsContact CB-O 3.24Å; A171-P310 WeakPolarHBondContact CB-O 3.48Å; A171-V313 HydrophobicContact CB-CG2 3.9Å
172A89.4Confident88.8Confident50 Ų5065.8 Ų65.841%0.41331%0.313SS..Hα-helixtrans-60.4-43.2176.200000112.5E168 D169 V170 I174 L175 E176E168-A172 PolarHBondContact O-N 3.03Å; D169-A172 PolarHBondContact O-N 3.42Å; V170-A172 VanDerWaalsContact C-N 3.33Å; V170-A172 PolarHBondContact O-N 3.02Å; A172-I174 PolarHBondContact O-N 3.44Å; A172-L175 PolarHBondContact O-N 2.86Å; A172-E176 PolarHBondContact O-N 3.16Å
173N88.8Confident88.4Confident77 Ų7769.6 Ų69.641%0.41233%0.333SS..Hα-helixtrans-63.3-40.2177-75.2-37.4000112.7D169 V170 A171 L175 E176 K177D169-N173 VanDerWaalsContact O-CG 3.25Å; D169-N173 PolarHBondContact O-N 3.3Å; D169-N173 PolarHBondContact O-ND2 3.46Å; V170-N173 PolarHBondContact O-N 3.22Å; A171-N173 PolarHBondContact O-N 3.04Å; N173-L175 VanDerWaalsContact C-N 3.34Å; N173-E176 PolarHBondContact O-N 3.4Å; N173-K177 PolarHBondContact O-N 3.3Å
174I88.2Confident87.8Confident1 Ų170.4 Ų70.41%0.00534%0.337CS..Hα-helixtrans-64.9-40.1176.1-67.3-58.9000110.9F165 V170 A171 A172 K177 R178 H180 A194 V313 F335 G341F165-I174 HydrophobicContact CE2-CG1 4.45Å; F165-I174 HydrophobicContact CZ-CG1 4.16Å; V170-I174 WeakPolarHBondContact O-CG1 3.28Å; V170-I174 PolarHBondContact O-N 2.83Å; A171-I174 PolarHBondContact O-N 2.88Å; A172-I174 PolarHBondContact O-N 3.44Å; I174-K177 PolarHBondContact O-N 2.99Å; I174-R178 PolarHBondContact O-N 3.14Å; I174-H180 PolarHBondContact O-NE2 3.39Å; I174-A194 HydrophobicContact CG2-CB 3.84Å; I174-V313 HydrophobicContact CG2-CG1 4.01Å; I174-V313 HydrophobicContact CG2-CG2 4.36Å; I174-F335 HydrophobicContact CD1-CD1 3.85Å; I174-F335 HydrophobicContact CD1-CE1 4.14Å; I174-F335 HydrophobicContact CG1-CD1 4.4Å; I174-F335 HydrophobicContact CG2-CD1 4.31Å; I174-F335 HydrophobicContact CG2-CE1 4.02Å; I174-G341 WeakPolarHBondContact CD1-O 3.24Å; I174-G341 WeakPolarHBondContact CG1-O 3.4Å
175L89.1Confident86.8Confident29 Ų2970.7 Ų70.715%0.15235%0.345CS..Hα-helixtrans-68.6-34.7176.7-69.9172.4000112.9A171 A172 N173 K177 R178 P196 V313A171-L175 VanDerWaalsContact O-CG 3.28Å; A171-L175 WeakPolarHBondContact O-CG 3.43Å; A171-L175 PolarHBondContact O-N 2.86Å; A172-L175 PolarHBondContact O-N 2.86Å; N173-L175 VanDerWaalsContact C-N 3.34Å; L175-K177 VanDerWaalsContact C-N 3.35Å; L175-R178 WeakPolarHBondContact O-CG 3.42Å; L175-R178 PolarHBondContact O-N 3.48Å; L175-P196 HydrophobicContact CD1-CB 4.19Å; L175-P196 HydrophobicContact CD2-CB 4.22Å; L175-P196 VanDerWaalsContact CD2-N 3.35Å; L175-V313 HydrophobicContact CD1-CG2 4.36Å; L175-V313 HydrophobicContact CD2-CG1 3.9Å; L175-V313 HydrophobicContact CD2-CG2 4.17Å; L175-V313 HydrophobicContact CG-CG1 4.49Å; L175-V313 HydrophobicContact CG-CG2 3.96Å
176E88.9Confident85.5Confident156 Ų15675.8 Ų75.873%0.72939%0.388SS*.Hα-helixtrans-64-41.2176.6-169.9179.6-170.100111.4A172 N173 R178A172-E176 PolarHBondContact O-N 3.16Å; N173-E176 PolarHBondContact O-N 3.4Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.45Å
177K85.6Confident84.6Confident108 Ų10879.9 Ų79.947%0.4741%0.407SS..Hα-helixtrans-69.1-26.8178.6-70.6-178.4-176.4178.30113.3N173 I174 L175 K179 N340N173-K177 PolarHBondContact O-N 3.3Å; I174-K177 PolarHBondContact O-N 2.99Å; L175-K177 VanDerWaalsContact C-N 3.35Å; K177-K179 PolarHBondContact O-N 2.79Å; K177-N340 PolarHBondContact NZ-O 3.47Å
178R84.5Confident84Confident173 Ų17377 Ų7765%0.65340%0.399SS*.  trans54.8-42.8-178.3-65.1-172.1-180-169.2-0.8116.9I174 L175 E176 E193 A194I174-R178 PolarHBondContact O-N 3.14Å; L175-R178 WeakPolarHBondContact O-CG 3.42Å; L175-R178 PolarHBondContact O-N 3.48Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.45Å; R178-E193 CarbonylContact O-C 3.55Å; R178-E193 VanDerWaalsContact O-CA 3.28Å; R178-E193 WeakPolarHBondContact O-CA 3.26Å; R178-A194 PolarHBondContact O-N 3.03Å
179K89.5Confident83.7Confident143 Ų14375.9 Ų75.962%0.62239%0.394SS*.EExtended strand (participates in β ladder)trans-117.7127.4-178.4-66.6-173.9178-173.90110.1K177 T191 V192K177-K179 PolarHBondContact O-N 2.79Å; K179-T191 HydrophobicContact CB-CG2 4.49Å; K179-V192 WeakPolarHBondContact CA-O 3.28Å
180H87.1Confident83.6Confident9 Ų971 Ų714%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-121.8128.7-178.1-67-87.4000109.4I174 T191 V192 F335I174-H180 PolarHBondContact O-NE2 3.39Å; H180-T191 WeakPolarHBondContact O-CA 3.38Å; H180-V192 HydrophobicContact CB-CG2 3.84Å; H180-V192 PolarHBondContact N-O 2.86Å; H180-V192 PolarHBondContact O-N 3.38Å; H180-F335 HydrophobicContact CB-CE1 4.11Å; H180-F335 HydrophobicContact CB-CZ 3.8Å; H180-F335 AromaticContact CD2-CE1 3.93Å; H180-F335 AromaticContact CG-CE1 3.69Å; H180-F335 AromaticContact CG-CZ 3.89Å; H180-F335 AromaticContact ND1-CE1 3.86Å
181K86.6Confident83.6Confident135 Ų13574.7 Ų74.759%0.58739%0.39SS*.EExtended strand (participates in β ladder)trans-97.399.5177.7-172.8-179174.8-170.30108.6H189 I190 H334K181-H189 HydrophobicContact CD-CB 4.35Å; K181-H189 VanDerWaalsContact CE-CD2 3.49Å; K181-H189 WeakPolarHBondContact CE-CD2 3.22Å; K181-H189 HydrophobicContact CG-CB 4.06Å; K181-H189 PolarHBondContact NZ-CD2 2.72Å; K181-I190 CarbonylContact C-O 3.57Å; K181-I190 WeakPolarHBondContact CA-O 3.24Å; K181-H334 PolarHBondContact O-NE2 3.29Å
182V85.7Confident83.7Confident0 Ų074.7 Ų74.70%039%0.391CS..EExtended strand (participates in β ladder)trans-85126.5-177.8-175.60000108.9L184 H189 I190 V192 L331 H334 F335V182-L184 HydrophobicContact CG1-CD2 4.19Å; V182-H189 WeakPolarHBondContact O-CA 3.49Å; V182-I190 HydrophobicContact CB-CD1 4.28Å; V182-I190 HydrophobicContact CB-CG1 3.76Å; V182-I190 HydrophobicContact CG1-CG1 4.48Å; V182-I190 HydrophobicContact CG2-CG1 4.45Å; V182-I190 PolarHBondContact N-O 3.09Å; V182-I190 PolarHBondContact O-N 3.01Å; V182-V192 HydrophobicContact CG2-CG1 4.42Å; V182-V192 HydrophobicContact CG2-CG2 3.86Å; V182-L331 HydrophobicContact CG1-CD2 4.25Å; V182-L331 HydrophobicContact CG2-CD2 3.99Å; V182-H334 HydrophobicContact CG1-CB 3.87Å; V182-H334 HydrophobicContact CG2-CB 4.44Å; V182-F335 HydrophobicContact CG2-CE2 4.26Å
183D84.2Confident83.8Confident87 Ų8775.8 Ų75.847%0.46539%0.387SS..EExtended strand (participates in β ladder)trans-84.6119.2174.2-169.8-5.1000109.4G185 H189 M330D183-G185 PolarHBondContact OD1-N 2.96Å; D183-H189 IonicContact OD1-CE1 3.55Å; D183-H189 IonicContact OD1-ND1 3.53Å; D183-H189 IonicContact OD2-CE1 3.19Å; D183-M330 WeakPolarHBondContact O-CE 3.39Å
184L79Confident83.9Confident18 Ų1872.3 Ų72.39%0.09437%0.369CS..  trans-95.14.9-177.8-66.2-177.2000112.6V182 C188 I190 V321 M322 M327 M330V182-L184 HydrophobicContact CG1-CD2 4.19Å; L184-C188 HydrophobicContact CB-CB 4.23Å; L184-C188 PolarHBondContact N-O 3.24Å; L184-I190 HydrophobicContact CD1-CB 4.25Å; L184-I190 HydrophobicContact CD1-CD1 4.17Å; L184-I190 HydrophobicContact CD1-CG1 4.03Å; L184-I190 HydrophobicContact CD1-CG2 3.4Å; L184-I190 VanDerWaalsContact CD1-CG2 3.4Å; L184-I190 HydrophobicContact CD2-CD1 3.97Å; L184-I190 HydrophobicContact CD2-CG1 4.16Å; L184-I190 HydrophobicContact CG-CD1 4.35Å; L184-I190 HydrophobicContact CG-CG1 4.09Å; L184-I190 HydrophobicContact CG-CG2 4.31Å; L184-V321 HydrophobicContact CD1-CG2 3.84Å; L184-M322 HydrophobicContact CB-CE 3.74Å; L184-M322 HydrophobicContact CD1-CE 3.62Å; L184-M322 HydrophobicContact CD2-CE 3.66Å; L184-M322 HydrophobicContact CG-CE 3.85Å; L184-M327 HydrophobicContact CD2-SD 4.24Å; L184-M330 HydrophobicContact CD2-CB 4.19Å
185G70.4Confident84.1Confident32 Ų3275.7 Ų75.733%0.3339%0.385SS..SBendtrans80.4160.9-174.100000112.5D183 E187 C188D183-G185 PolarHBondContact OD1-N 2.96Å; G185-E187 VanDerWaalsContact C-N 3.34Å; G185-E187 PolarHBondContact O-N 3.28Å; G185-C188 PolarHBondContact O-N 2.76Å
186A63.1Low84.2Confident109 Ų10976.9 Ų76.990%0.90139%0.394SS*.THydrogen-bonded Turntrans51.844.4178.900000114.8C188A186-C188 PolarHBondContact O-N 3.42Å
187E70.6Confident84.3Confident190 Ų19069.5 Ų69.589%0.88836%0.36SS*.THydrogen-bonded Turntrans67.110.5177.9-51.7-177-179.300115.6G185G185-E187 VanDerWaalsContact C-N 3.34Å; G185-E187 PolarHBondContact O-N 3.28Å
188C76.6Confident84.5Confident60 Ų6069 Ų6941%0.40536%0.359SS..  trans-94.5133.1175.4-168.80000111.3L184 G185 A186L184-C188 HydrophobicContact CB-CB 4.23Å; L184-C188 PolarHBondContact N-O 3.24Å; G185-C188 PolarHBondContact O-N 2.76Å; A186-C188 PolarHBondContact O-N 3.42Å
189H83.4Confident84.6Confident86 Ų8661.4 Ų61.440%0.39833%0.331SS..EExtended strand (participates in β ladder)trans-133138.1176.6-53.3-70.4000111K181 V182 D183K181-H189 HydrophobicContact CD-CB 4.35Å; K181-H189 VanDerWaalsContact CE-CD2 3.49Å; K181-H189 WeakPolarHBondContact CE-CD2 3.22Å; K181-H189 HydrophobicContact CG-CB 4.06Å; K181-H189 PolarHBondContact NZ-CD2 2.72Å; V182-H189 WeakPolarHBondContact O-CA 3.49Å; D183-H189 IonicContact OD1-CE1 3.55Å; D183-H189 IonicContact OD1-ND1 3.53Å; D183-H189 IonicContact OD2-CE1 3.19Å
190I87.3Confident84.3Confident13 Ų1360 Ų607%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-110.3152.3170.559.9173.2000110.3K181 V182 L184 V192 P319 M327 L331K181-I190 CarbonylContact C-O 3.57Å; K181-I190 WeakPolarHBondContact CA-O 3.24Å; V182-I190 HydrophobicContact CB-CD1 4.28Å; V182-I190 HydrophobicContact CB-CG1 3.76Å; V182-I190 HydrophobicContact CG1-CG1 4.48Å; V182-I190 HydrophobicContact CG2-CG1 4.45Å; V182-I190 PolarHBondContact N-O 3.09Å; V182-I190 PolarHBondContact O-N 3.01Å; L184-I190 HydrophobicContact CD1-CB 4.25Å; L184-I190 HydrophobicContact CD1-CD1 4.17Å; L184-I190 HydrophobicContact CD1-CG1 4.03Å; L184-I190 HydrophobicContact CD1-CG2 3.4Å; L184-I190 VanDerWaalsContact CD1-CG2 3.4Å; L184-I190 HydrophobicContact CD2-CD1 3.97Å; L184-I190 HydrophobicContact CD2-CG1 4.16Å; L184-I190 HydrophobicContact CG-CD1 4.35Å; L184-I190 HydrophobicContact CG-CG1 4.09Å; L184-I190 HydrophobicContact CG-CG2 4.31Å; I190-V192 HydrophobicContact CD1-CG1 3.96Å; I190-V192 HydrophobicContact CG1-CG1 4.31Å; I190-P319 HydrophobicContact CB-CG 4.43Å; I190-P319 HydrophobicContact CG2-CG 3.62Å; I190-M327 HydrophobicContact CD1-CE 3.79Å; I190-L331 HydrophobicContact CD1-CD2 4.46Å
191T88.4Confident84Confident92 Ų9262.3 Ų62.356%0.56434%0.34SS*.EExtended strand (participates in β ladder)trans-110.3116.2173.1-55.10000107.7K179 H180K179-T191 HydrophobicContact CB-CG2 4.49Å; H180-T191 WeakPolarHBondContact O-CA 3.38Å
192V90.7Very high83.6Confident1 Ų158.4 Ų58.41%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-108.2148.1176.4-57.70000109.6K179 H180 V182 I190 L315 T316 I318 L331 F335K179-V192 WeakPolarHBondContact CA-O 3.28Å; H180-V192 HydrophobicContact CB-CG2 3.84Å; H180-V192 PolarHBondContact N-O 2.86Å; H180-V192 PolarHBondContact O-N 3.38Å; V182-V192 HydrophobicContact CG2-CG1 4.42Å; V182-V192 HydrophobicContact CG2-CG2 3.86Å; I190-V192 HydrophobicContact CD1-CG1 3.96Å; I190-V192 HydrophobicContact CG1-CG1 4.31Å; V192-L315 HydrophobicContact CG2-CD2 4.28Å; V192-T316 WeakPolarHBondContact CA-O 3.49Å; V192-I318 HydrophobicContact CG1-CG1 3.88Å; V192-L331 HydrophobicContact CG1-CD2 4.4Å; V192-F335 HydrophobicContact CG2-CE2 4.28Å; V192-F335 HydrophobicContact CG2-CZ 3.92Å
193E92.1Very high83.3Confident72 Ų7261.7 Ų61.734%0.33635%0.351SS..EExtended strand (participates in β ladder)trans-107.2125.6177.5-170.3174.3142.400110.4R178 Q195 L315 T316R178-E193 CarbonylContact O-C 3.55Å; R178-E193 VanDerWaalsContact O-CA 3.28Å; R178-E193 WeakPolarHBondContact O-CA 3.26Å; E193-Q195 HydrophobicContact CG-CG 4.29Å; E193-Q195 PolarHBondContact OE1-NE2 3.41Å; E193-L315 CarbonylContact O-C 3.47Å; E193-L315 VanDerWaalsContact O-CA 3.32Å; E193-L315 WeakPolarHBondContact O-CA 3.36Å; E193-T316 PolarHBondContact N-O 2.83Å; E193-T316 PolarHBondContact O-N 3.33Å
194A91.8Very high83.1Confident4 Ų460.7 Ų60.73%0.03335%0.345CS..EExtended strand (participates in β ladder)trans-88.8125.1175.200000110.4I174 R178 V313 L314 L315I174-A194 HydrophobicContact CG2-CB 3.84Å; R178-A194 PolarHBondContact O-N 3.03Å; A194-V313 HydrophobicContact CB-CG1 3.75Å; A194-L314 CarbonylContact C-O 3.52Å; A194-L314 WeakPolarHBondContact CA-O 3.15Å; A194-L315 HydrophobicContact CB-CD2 3.95Å
195Q91.7Very high82.9Confident73 Ų7362.4 Ų62.434%0.34136%0.357SS..EExtended strand (participates in β ladder)trans-129.2145.5-178.8-64.3-172.7-17.700111.1E193 L314E193-Q195 HydrophobicContact CG-CG 4.29Å; E193-Q195 PolarHBondContact OE1-NE2 3.41Å; Q195-L314 PolarHBondContact N-O 3.22Å; Q195-L314 PolarHBondContact O-N 2.94Å
196P91.4Very high83.3Confident54 Ų5465.4 Ų65.435%0.35136%0.362SS..EExtended strand (participates in β ladder)trans-70.9136178.128-33.9000111.1L175 H198 M308L175-P196 HydrophobicContact CD1-CB 4.19Å; L175-P196 HydrophobicContact CD2-CB 4.22Å; L175-P196 VanDerWaalsContact CD2-N 3.35Å; P196-H198 PolarHBondContact O-ND1 3.14Å; P196-M308 HydrophobicContact CB-CG 4.05Å; P196-M308 HydrophobicContact CB-SD 3.74Å
197V90.1Very high84Confident0 Ų064.8 Ų64.80%034%0.343CS..EExtended strand (participates in β ladder)trans-83.4125.8175.4-178.20000109.4Y154 L162 L199 M308 C309 T312 L314 F361Y154-V197 HydrophobicContact CE2-CG1 4.23Å; L162-V197 HydrophobicContact CD2-CG2 3.42Å; L162-V197 VanDerWaalsContact CD2-CG2 3.42Å; V197-L199 HydrophobicContact CG1-CD2 4.07Å; V197-L199 HydrophobicContact CG1-CG 4.38Å; V197-M308 WeakPolarHBondContact O-CA 3.35Å; V197-C309 HydrophobicContact CB-CB 4.17Å; V197-C309 PolarHBondContact O-N 3.17Å; V197-T312 HydrophobicContact CG2-CG2 4.06Å; V197-L314 HydrophobicContact CG2-CB 3.82Å; V197-F361 HydrophobicContact CG1-CZ 4.06Å
198H89.4Confident84.2Confident98 Ų9859.9 Ų59.945%0.45432%0.322SS..EExtended strand (participates in β ladder)trans-112124.2175.4-66.489.7000109.5P196 T306 S307P196-H198 PolarHBondContact O-ND1 3.14Å; H198-T306 HydrophobicContact CB-CG2 3.71Å; H198-S307 CarbonylContact C-O 3.52Å; H198-S307 WeakPolarHBondContact CA-O 3.16Å
199L86.8Confident84.2Confident13 Ų1360.1 Ų60.17%0.06832%0.322CS..EExtended strand (participates in β ladder)trans-108145175.8-60-178.6000110.3I152 Y154 V197 M201 T306 S307 C309 F361I152-L199 HydrophobicContact CD1-CB 4.3Å; I152-L199 HydrophobicContact CD1-CD1 4.3Å; I152-L199 HydrophobicContact CG2-CD2 4.15Å; Y154-L199 HydrophobicContact CD2-CD2 3.66Å; Y154-L199 HydrophobicContact CE2-CD2 4.4Å; Y154-L199 HydrophobicContact CG-CD2 4.31Å; V197-L199 HydrophobicContact CG1-CD2 4.07Å; V197-L199 HydrophobicContact CG1-CG 4.38Å; L199-M201 HydrophobicContact CB-SD 4.37Å; L199-M201 PolarHBondContact O-N 3.06Å; L199-T306 WeakPolarHBondContact O-CA 3.37Å; L199-S307 PolarHBondContact N-O 3.4Å; L199-S307 PolarHBondContact O-N 3.23Å; L199-C309 WeakPolarHBondContact CD1-SG 3.47Å; L199-C309 VanDerWaalsContact CG-SG 3.55Å; L199-F361 HydrophobicContact CD1-CB 3.87Å; L199-F361 HydrophobicContact CD1-CD1 3.79Å; L199-F361 HydrophobicContact CD1-CD2 4.11Å; L199-F361 HydrophobicContact CD1-CE1 4.34Å; L199-F361 HydrophobicContact CD1-CG 3.65Å; L199-F361 HydrophobicContact CD2-CD2 3.99Å; L199-F361 HydrophobicContact CD2-CE2 4.06Å; L199-F361 HydrophobicContact CD2-CG 4.39Å
200M83.6Confident84Confident115 Ų11560.6 Ų60.657%0.56733%0.328SS*.EExtended strand (participates in β ladder)trans-86.3109.8169.8-61.6-144.276.800108.7T304M200-T304 WeakPolarHBondContact CE-OG1 3.5Å
201M80.6Confident83.6Confident57 Ų5761.9 Ų61.928%0.28133%0.334SS..EExtended strand (participates in β ladder)trans-99.2139.7177.9-58.2-64.2-64.700109.4P150 I152 L199 T304 R305P150-M201 HydrophobicContact CB-CE 4.4Å; P150-M201 HydrophobicContact CG-CE 3.68Å; I152-M201 HydrophobicContact CD1-CE 4.13Å; I152-M201 HydrophobicContact CD1-SD 3.15Å; I152-M201 WeakPolarHBondContact CD1-SD 3.34Å; L199-M201 HydrophobicContact CB-SD 4.37Å; L199-M201 PolarHBondContact O-N 3.06Å; M201-T304 CarbonylContact O-C 3.46Å; M201-T304 VanDerWaalsContact O-CA 3.26Å; M201-T304 WeakPolarHBondContact O-CA 3.34Å; M201-R305 PolarHBondContact N-O 3.04Å; M201-R305 PolarHBondContact O-N 3.47Å
202P79.4Confident83.3Confident52 Ų5257.6 Ų57.634%0.33831%0.308SS..EExtended strand (participates in β ladder)trans-65.7133.7167.928.9-32.6000109.8V205 L302 E303P202-V205 HydrophobicContact CB-CG2 3.96Å; P202-L302 HydrophobicContact CB-CD1 3.94Å; P202-E303 WeakPolarHBondContact CA-O 3.47Å
203S79.1Confident83Confident69 Ų6959.7 Ų59.748%0.48332%0.322SS..EExtended strand (participates in β ladder)trans-106.2-34.7174.956.40000112.7E303S203-E303 PolarHBondContact N-O 3.05Å; S203-E303 VanDerWaalsContact OG-C 3.3Å; S203-E303 VanDerWaalsContact OG-CB 3.32Å; S203-E303 WeakPolarHBondContact OG-CB 3Å; S203-E303 PolarHBondContact OG-O 3.4Å
204L79Confident82.7Confident66 Ų6658.9 Ų58.935%0.34632%0.318SS..EExtended strand (participates in β ladder)trans-139.4133.1174.1-179.268.2000108.4E206 L302 E303L204-E206 HydrophobicContact CD1-CG 4.48Å; L204-E206 HydrophobicContact CD2-CG 4.28Å; L204-E206 HydrophobicContact CG-CG 4.22Å; L204-L302 WeakPolarHBondContact O-CA 3.34Å; L204-E303 HydrophobicContact CB-CB 3.94Å; L204-E303 HydrophobicContact CB-CG 4.08Å; L204-E303 HydrophobicContact CD2-CG 4.33Å; L204-E303 PolarHBondContact N-O 3.49Å; L204-E303 PolarHBondContact O-N 3.26Å
205V76.2Confident82.5Confident55 Ų5561.8 Ų61.833%0.33333%0.328SS..EExtended strand (participates in β ladder)trans-129.5111.1173.5-170.20000107.8P202 I207 I299 N301 L302P202-V205 HydrophobicContact CB-CG2 3.96Å; V205-I207 HydrophobicContact CG1-CD1 4.19Å; V205-I207 HydrophobicContact CG1-CG1 3.94Å; V205-I299 HydrophobicContact CG1-CG1 4.41Å; V205-I299 HydrophobicContact CG1-CG2 4.2Å; V205-N301 WeakPolarHBondContact CA-O 3.37Å; V205-L302 HydrophobicContact CG2-CD1 3.8Å
206E78.1Confident82.5Confident94 Ų9458.3 Ų58.344%0.43931%0.311SS..EExtended strand (participates in β ladder)trans-101.1129.9170.9-58.2178.1158.700108.7L204 I299 T300 N301L204-E206 HydrophobicContact CD1-CG 4.48Å; L204-E206 HydrophobicContact CD2-CG 4.28Å; L204-E206 HydrophobicContact CG-CG 4.22Å; E206-I299 WeakPolarHBondContact O-CA 3.39Å; E206-T300 PolarHBondContact O-N 3.41Å; E206-T300 PolarHBondContact O-OG1 2.64Å; E206-N301 HydrophobicContact CB-CB 3.79Å; E206-N301 HydrophobicContact CG-CB 3.93Å; E206-N301 PolarHBondContact N-O 3.26Å; E206-N301 PolarHBondContact O-N 2.81Å; E206-N301 WeakPolarHBondContact OE2-CB 3.49Å; E206-N301 PolarHBondContact OE2-ND2 2.85Å
207I77Confident82.4Confident97 Ų9756.7 Ų56.750%0.49730%0.3SS..EExtended strand (participates in β ladder)trans-122.6118.9-177.4-58.1172.4000107.3V205 T209 K298 I299V205-I207 HydrophobicContact CG1-CD1 4.19Å; V205-I207 HydrophobicContact CG1-CG1 3.94Å; I207-T209 HydrophobicContact CG2-CG2 4.03Å; I207-K298 WeakPolarHBondContact CA-O 3.33Å; I207-I299 HydrophobicContact CG1-CG1 4.27Å
208D75.3Confident82.4Confident86 Ų8656.7 Ų56.746%0.4630%0.3SS..EExtended strand (participates in β ladder)trans-82.4130.9167.5-170.824.9000109G297 K298 T300D208-G297 CarbonylContact O-C 3.57Å; D208-G297 WeakPolarHBondContact O-CA 2.94Å; D208-K298 PolarHBondContact N-O 2.86Å; D208-K298 PolarHBondContact O-N 3.12Å; D208-T300 HydrophobicContact CB-CG2 3.46Å; D208-T300 VanDerWaalsContact CB-CG2 3.46Å
209T77.8Confident82.3Confident65 Ų6553 Ų5340%0.39929%0.285SS..EExtended strand (participates in β ladder)trans-119.3122.8-170.256.30000111.3I207 V295 N296I207-T209 HydrophobicContact CG2-CG2 4.03Å; T209-V295 HydrophobicContact CG2-CG1 4.11Å; T209-N296 CarbonylContact C-O 3.59Å; T209-N296 WeakPolarHBondContact CA-O 3.2Å
210D78.4Confident82.2Confident97 Ų9757.4 Ų57.452%0.51931%0.309SS..EExtended strand (participates in β ladder)trans-121.4141.7178.2-72.2-43.2000111.1V295 N296D210-V295 CarbonylContact O-C 3.54Å; D210-N296 PolarHBondContact N-O 3.5Å; D210-N296 PolarHBondContact O-N 3.44Å
211I79.4Confident82.3Confident39 Ų3953.3 Ų53.320%0.229%0.289CS..EExtended strand (participates in β ladder)trans-77.8129.3173.8-67.7161.3000109.8V122 F123 P293V122-I211 HydrophobicContact CB-CD1 4.39Å; V122-I211 HydrophobicContact CG1-CD1 3.76Å; F123-I211 HydrophobicContact CD1-CD1 3.62Å; F123-I211 HydrophobicContact CD1-CG1 4.34Å; F123-I211 HydrophobicContact CD2-CD1 4.21Å; F123-I211 HydrophobicContact CE1-CD1 3.43Å; F123-I211 VanDerWaalsContact CE1-CD1 3.43Å; F123-I211 HydrophobicContact CE1-CG1 3.9Å; F123-I211 HydrophobicContact CE2-CD1 4.02Å; F123-I211 HydrophobicContact CG-CD1 4.01Å; F123-I211 HydrophobicContact CZ-CD1 3.63Å; F123-I211 HydrophobicContact CZ-CG1 4.32Å; I211-P293 HydrophobicContact CG1-CB 4.48Å; I211-P293 HydrophobicContact CG2-CB 3.66Å
212C82.1Confident82.5Confident3 Ų351.8 Ų51.82%0.0228%0.283CS..EExtended strand (participates in β ladder)trans-79.6123.1175.9-163.40000111H214 R215 F294 N296C212-H214 VanDerWaalsContact C-N 3.3Å; C212-H214 PolarHBondContact O-N 2.95Å; C212-H214 PolarHBondContact SG-CE1 3.27Å; C212-R215 HydrophobicContact CB-CB 3.96Å; C212-F294 HydrophobicContact CB-CB 4.18Å; C212-F294 HydrophobicContact CB-CD1 4.19Å; C212-F294 VanDerWaalsContact CB-O 3.25Å; C212-F294 WeakPolarHBondContact CB-O 3.28Å; C212-F294 PolarHBondContact N-O 3Å; C212-N296 WeakPolarHBondContact CB-ND2 3.49Å
213P82.7Confident82.6Confident45 Ų4560 Ų6029%0.29231%0.314SS..EExtended strand (participates in β ladder)trans-76.6-14.2-173.131.2-37.4000114.1N266 A269P213-N266 CarbonylContact C-O 3.44Å; P213-N266 HydrophobicContact CB-CB 4.29Å; P213-N266 VanDerWaalsContact CB-O 3.28Å; P213-N266 WeakPolarHBondContact CB-O 3.48Å; P213-N266 HydrophobicContact CG-CB 4.39Å; P213-N266 CarbonylContact O-C 3.57Å; P213-A269 VanDerWaalsContact C-CB 3.5Å; P213-A269 WeakPolarHBondContact O-CB 3.48Å; P213-A269 PolarHBondContact O-N 2.91Å
214H85.8Confident82.7Confident54 Ų5460.3 Ų60.325%0.2531%0.308CS..EExtended strand (participates in β ladder)trans-122.24-177.960.7-82.5000113.7C212 F263 N266C212-H214 VanDerWaalsContact C-N 3.3Å; C212-H214 PolarHBondContact O-N 2.95Å; C212-H214 PolarHBondContact SG-CE1 3.27Å; H214-F263 WeakPolarHBondContact O-CD2 3.5Å; H214-F263 PolarHBondContact O-N 3.3Å; H214-N266 WeakPolarHBondContact CB-OD1 3.44Å; H214-N266 PolarHBondContact ND1-OD1 3.4Å
215R89.4Confident83.1Confident65 Ų6561.2 Ų61.225%0.24531%0.314CS..EExtended strand (participates in β ladder)trans-122.6137.4179.6-68.1170.666.8-154.93.3110.6C212 I261 T262 F294 N296C212-R215 HydrophobicContact CB-CB 3.96Å; R215-I261 WeakPolarHBondContact CA-O 3.43Å; R215-T262 HydrophobicContact CG-CG2 3.93Å; R215-F294 HydrophobicContact CB-CB 3.58Å; R215-F294 HydrophobicContact CB-CD1 4.34Å; R215-F294 HydrophobicContact CB-CG 3.96Å; R215-F294 VanDerWaalsContact CZ-CE1 3.41Å; R215-F294 WeakPolarHBondContact O-CB 3.31Å; R215-F294 PolarHBondContact O-N 3.21Å; R215-F294 VanDerWaalsContact O-N 3.12Å; R215-N296 PolarHBondContact NH1-OD1 2.86Å
216V90Very high83.5Confident0 Ų061.5 Ų61.50%032%0.315CS..EExtended strand (participates in β ladder)trans-125.8150.6175.1-59.70000110.9V218 V260 I261 F263 A269 L272 V291V216-V218 HydrophobicContact CG2-CG2 4.35Å; V216-V260 WeakPolarHBondContact O-CA 3.32Å; V216-I261 HydrophobicContact CG2-CB 3.86Å; V216-I261 HydrophobicContact CG2-CG1 4.46Å; V216-I261 PolarHBondContact N-O 3.14Å; V216-I261 PolarHBondContact O-N 3.28Å; V216-F263 HydrophobicContact CG1-CE2 4.11Å; V216-F263 HydrophobicContact CG2-CE2 3.69Å; V216-F263 HydrophobicContact CG2-CZ 4.32Å; V216-A269 HydrophobicContact CG1-CB 3.55Å; V216-L272 HydrophobicContact CG1-CB 4.29Å; V216-L272 HydrophobicContact CG1-CD1 4.32Å; V216-V291 HydrophobicContact CB-CG1 3.66Å; V216-V291 HydrophobicContact CG1-CG1 4.03Å; V216-V291 HydrophobicContact CG2-CG1 3.89Å
217L89.9Confident84Confident21 Ų2164.3 Ų64.311%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-106.1121.3173.2-172.575.5000109.4P127 L253 T258 V260 V291 T292P127-L217 HydrophobicContact CB-CD2 3.7Å; P127-L217 HydrophobicContact CG-CD2 3.83Å; L217-L253 HydrophobicContact CD1-CD1 4.18Å; L217-T258 WeakPolarHBondContact CD1-OG1 3.48Å; L217-V260 HydrophobicContact CD1-CG2 3.77Å; L217-V291 WeakPolarHBondContact O-CA 3.39Å; L217-T292 PolarHBondContact N-O 2.71Å; L217-T292 PolarHBondContact O-N 3.41Å; L217-T292 PolarHBondContact O-OG1 3.48Å; L217-T292 VanDerWaalsContact O-OG1 3.09Å
218V89.5Confident84.4Confident0 Ų065.1 Ų65.10%033%0.332CS..EExtended strand (participates in β ladder)trans-103.7123.6178-166.30000109.7V216 L221 L233 F237 T258 V259 I261 V289 R290 V291V216-V218 HydrophobicContact CG2-CG2 4.35Å; V218-L221 HydrophobicContact CB-CD2 4.43Å; V218-L221 HydrophobicContact CG1-CD2 3.71Å; V218-L233 HydrophobicContact CG1-CD2 4.27Å; V218-F237 HydrophobicContact CG2-CE2 4.27Å; V218-T258 WeakPolarHBondContact O-CA 3.45Å; V218-T258 WeakPolarHBondContact O-CB 3.37Å; V218-V259 HydrophobicContact CB-CB 4.36Å; V218-V259 PolarHBondContact N-O 2.92Å; V218-V259 PolarHBondContact O-N 2.86Å; V218-I261 HydrophobicContact CG2-CD1 3.75Å; V218-I261 HydrophobicContact CG2-CG1 4.11Å; V218-V289 HydrophobicContact CG1-CB 3.72Å; V218-V289 HydrophobicContact CG1-CG2 3.71Å; V218-R290 CarbonylContact C-O 3.46Å; V218-R290 VanDerWaalsContact CA-O 3.3Å; V218-R290 WeakPolarHBondContact CA-O 3.48Å; V218-V291 HydrophobicContact CG1-CG2 4.35Å; V218-V291 HydrophobicContact CG2-CG2 4.23Å
219S87.7Confident85Confident20 Ų2061.2 Ų61.214%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-124.8177.1-178.857.40000110.6R290S219-R290 PolarHBondContact N-O 2.7Å; S219-R290 PolarHBondContact O-N 3Å; S219-R290 PolarHBondContact OG-O 3.16Å
220N85.9Confident85.6Confident105 Ų10559.8 Ų59.856%0.56130%0.3SS*.SBendtrans54.855.1-171.8-166.946.1000112H287 I288N220-H287 PolarHBondContact O-CD2 2.86Å; N220-H287 PolarHBondContact O-NE2 3.37Å; N220-I288 PolarHBondContact ND2-O 2.95Å
221L85.8Confident86.1Confident30 Ų3059 Ų5916%0.15730%0.297CS..  trans-90142.8-177.2-61.7174.1000110.7V218 L229 L233 F252 V259 V289V218-L221 HydrophobicContact CB-CD2 4.43Å; V218-L221 HydrophobicContact CG1-CD2 3.71Å; L221-L229 HydrophobicContact CB-CD1 4.41Å; L221-L229 HydrophobicContact CB-CD2 4.22Å; L221-L229 HydrophobicContact CD1-CD2 3.96Å; L221-L229 HydrophobicContact CD2-CD1 4.37Å; L221-L233 HydrophobicContact CD2-CD1 3.94Å; L221-L233 HydrophobicContact CD2-CD2 4.33Å; L221-F252 HydrophobicContact CD1-CE2 4.4Å; L221-V259 HydrophobicContact CD1-CB 3.96Å; L221-V259 HydrophobicContact CD1-CG2 3.44Å; L221-V259 VanDerWaalsContact CD1-CG2 3.44Å; L221-V289 HydrophobicContact CD2-CB 4.34Å; L221-V289 HydrophobicContact CD2-CG1 3.92Å
222P84.1Confident86.6Confident25 Ų2560 Ų6016%0.16230%0.3CS..  trans-68.6143.7176.129-35.4000111.4M224 L229 F282P222-M224 HydrophobicContact CB-CE 3.66Å; P222-M224 HydrophobicContact CG-CE 3.2Å; P222-M224 HydrophobicContact CG-SD 4.26Å; P222-M224 PolarHBondContact O-N 3.02Å; P222-L229 HydrophobicContact CG-CD1 4.05Å; P222-F282 HydrophobicContact CG-CD1 4.38Å; P222-F282 HydrophobicContact CG-CD2 3.87Å; P222-F282 HydrophobicContact CG-CE1 4.38Å; P222-F282 HydrophobicContact CG-CE2 3.81Å; P222-F282 HydrophobicContact CG-CG 4.14Å; P222-F282 HydrophobicContact CG-CZ 4.08Å
223K80.8Confident86.9Confident224 Ų22459.9 Ų59.997%0.97430%0.299SS*.SBendtrans-67.8100.2173.5-65.7-174.8179.5-175.10109.9
224M82.4Confident87.3Confident75 Ų7561.6 Ų61.637%0.36930%0.302SS..SBendtrans-151.9178.5177.267.9178.761.600110.8P222 T226 L229 F282P222-M224 HydrophobicContact CB-CE 3.66Å; P222-M224 HydrophobicContact CG-CE 3.2Å; P222-M224 HydrophobicContact CG-SD 4.26Å; P222-M224 PolarHBondContact O-N 3.02Å; M224-T226 PolarHBondContact O-N 2.7Å; M224-L229 HydrophobicContact CG-CB 3.97Å; M224-L229 HydrophobicContact CG-CD1 4.06Å; M224-L229 HydrophobicContact SD-CB 4.14Å; M224-L229 HydrophobicContact SD-CD1 3.9Å; M224-F282 HydrophobicContact CE-CB 3.63Å; M224-F282 HydrophobicContact CE-CD1 3.6Å; M224-F282 HydrophobicContact CE-CD2 4.45Å; M224-F282 HydrophobicContact CE-CE1 4.37Å; M224-F282 HydrophobicContact CE-CG 3.65Å; M224-F282 HydrophobicContact SD-CD1 3.69Å; M224-F282 HydrophobicContact SD-CE1 4.22Å; M224-F282 HydrophobicContact SD-CG 4.36Å
225D86.6Confident87.5Confident85 Ų8562.6 Ų62.646%0.45531%0.309SS..  trans-58.4133.4174.6179.578000112.3E227 M228 L229D225-E227 PolarHBondContact O-N 3.37Å; D225-E227 WeakPolarHBondContact OD2-CB 3.42Å; D225-E227 PolarHBondContact OD2-N 2.77Å; D225-M228 HydrophobicContact CB-CB 4.27Å; D225-M228 HydrophobicContact CB-CG 4.24Å; D225-M228 PolarHBondContact O-N 3.08Å; D225-M228 PolarHBondContact OD2-N 2.89Å; D225-M228 VanDerWaalsContact OD2-N 3.09Å; D225-L229 WeakPolarHBondContact O-CB 3.28Å; D225-L229 PolarHBondContact O-N 2.91Å
226T85.9Confident87.4Confident61 Ų6160.1 Ų60.137%0.37430%0.3SS..Hα-helixtrans-62.4-39.9-175.323.20000113.1M224 L229 L230 F252M224-T226 PolarHBondContact O-N 2.7Å; T226-L229 PolarHBondContact O-N 2.74Å; T226-L230 VanDerWaalsContact O-CG 3.26Å; T226-L230 WeakPolarHBondContact O-CG 2.97Å; T226-L230 PolarHBondContact O-N 3.17Å; T226-F252 HydrophobicContact CG2-CB 4.39Å; T226-F252 HydrophobicContact CG2-CD1 3.7Å; T226-F252 HydrophobicContact CG2-CD2 4.09Å; T226-F252 HydrophobicContact CG2-CE1 3.89Å; T226-F252 HydrophobicContact CG2-CE2 4.31Å; T226-F252 HydrophobicContact CG2-CG 3.8Å; T226-F252 HydrophobicContact CG2-CZ 4.2Å
227E86.8Confident87.4Confident153 Ų15360.1 Ų60.172%0.71530%0.3SS*.Hα-helixtrans-69-43.1-179.9-62.2-174.5173.400110.6D225 L229 L230 N231D225-E227 PolarHBondContact O-N 3.37Å; D225-E227 WeakPolarHBondContact OD2-CB 3.42Å; D225-E227 PolarHBondContact OD2-N 2.77Å; E227-L229 VanDerWaalsContact C-N 3.34Å; E227-L229 PolarHBondContact O-N 2.96Å; E227-L230 PolarHBondContact O-N 2.95Å; E227-N231 WeakPolarHBondContact O-CB 3.26Å; E227-N231 PolarHBondContact O-N 2.98Å
228M86Confident87.3Confident114 Ų11461.6 Ų61.656%0.56231%0.312SS*.Hα-helixtrans-63.1-40175.2-67.8-160.2-178.300112.4D225 K232D225-M228 HydrophobicContact CB-CB 4.27Å; D225-M228 HydrophobicContact CB-CG 4.24Å; D225-M228 PolarHBondContact O-N 3.08Å; D225-M228 PolarHBondContact OD2-N 2.89Å; D225-M228 VanDerWaalsContact OD2-N 3.09Å; M228-K232 WeakPolarHBondContact O-CB 3.42Å; M228-K232 WeakPolarHBondContact O-CG 3.38Å; M228-K232 PolarHBondContact O-N 2.84Å
229L88.4Confident87.2Confident4 Ų466.6 Ų66.62%0.02133%0.334CS..Hα-helixtrans-61.1-51.5178.3-177.668.3000111.2L221 P222 M224 D225 T226 E227 N231 K232 L233 F252 V259 F282L221-L229 HydrophobicContact CB-CD1 4.41Å; L221-L229 HydrophobicContact CB-CD2 4.22Å; L221-L229 HydrophobicContact CD1-CD2 3.96Å; L221-L229 HydrophobicContact CD2-CD1 4.37Å; P222-L229 HydrophobicContact CG-CD1 4.05Å; M224-L229 HydrophobicContact CG-CB 3.97Å; M224-L229 HydrophobicContact CG-CD1 4.06Å; M224-L229 HydrophobicContact SD-CB 4.14Å; M224-L229 HydrophobicContact SD-CD1 3.9Å; D225-L229 WeakPolarHBondContact O-CB 3.28Å; D225-L229 PolarHBondContact O-N 2.91Å; T226-L229 PolarHBondContact O-N 2.74Å; E227-L229 VanDerWaalsContact C-N 3.34Å; E227-L229 PolarHBondContact O-N 2.96Å; L229-N231 PolarHBondContact O-N 3.33Å; L229-K232 PolarHBondContact O-N 3.03Å; L229-L233 HydrophobicContact CD1-CD1 4.18Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.22Å; L229-L233 PolarHBondContact O-N 3.06Å; L229-F252 HydrophobicContact CD2-CD2 4.2Å; L229-F252 HydrophobicContact CD2-CE2 4.08Å; L229-V259 HydrophobicContact CD2-CG2 4.32Å; L229-F282 HydrophobicContact CD1-CD1 4.42Å; L229-F282 HydrophobicContact CD1-CE1 3.61Å; L229-F282 HydrophobicContact CD1-CZ 3.88Å
230L89.7Confident87Confident35 Ų3570.2 Ų70.218%0.18336%0.359CS..Hα-helixtrans-59.9-47.6179.6-69.2172.2000111.2T226 E227 K232 L233 E234 C250 F252 V259T226-L230 VanDerWaalsContact O-CG 3.26Å; T226-L230 WeakPolarHBondContact O-CG 2.97Å; T226-L230 PolarHBondContact O-N 3.17Å; E227-L230 PolarHBondContact O-N 2.95Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.36Å; L230-L233 PolarHBondContact O-N 3.48Å; L230-E234 VanDerWaalsContact O-CB 3.3Å; L230-E234 WeakPolarHBondContact O-CB 3.44Å; L230-E234 PolarHBondContact O-N 3.08Å; L230-C250 HydrophobicContact CD2-CB 4.37Å; L230-C250 WeakPolarHBondContact CD2-SG 3.44Å; L230-F252 HydrophobicContact CD1-CB 4.27Å; L230-F252 HydrophobicContact CD2-CB 4.14Å; L230-F252 HydrophobicContact CG-CB 4.47Å; L230-V259 HydrophobicContact CD2-CB 4.44Å; L230-V259 HydrophobicContact CD2-CG1 3.7Å; L230-V259 HydrophobicContact CD2-CG2 3.81Å
231N89.6Confident86.8Confident82 Ų8274.3 Ų74.344%0.43937%0.372SS..Hα-helixtrans-60.5-40.8179.5-172.3-83.3000112.1E227 L229 I235E227-N231 WeakPolarHBondContact O-CB 3.26Å; E227-N231 PolarHBondContact O-N 2.98Å; L229-N231 PolarHBondContact O-N 3.33Å; N231-I235 WeakPolarHBondContact O-CB 3.46Å; N231-I235 VanDerWaalsContact O-CG1 3.24Å; N231-I235 WeakPolarHBondContact O-CG1 3.26Å; N231-I235 PolarHBondContact O-N 2.91Å; N231-I235 WeakPolarHBondContact OD1-CD1 3.43Å
232K89.3Confident86.6Confident60 Ų6076.1 Ų76.126%0.26138%0.379SS..Hα-helixtrans-69.5-40.7178.3-70.7-68.8173.7-175.50112.8M228 L229 L230 H236 F282 N283M228-K232 WeakPolarHBondContact O-CB 3.42Å; M228-K232 WeakPolarHBondContact O-CG 3.38Å; M228-K232 PolarHBondContact O-N 2.84Å; L229-K232 PolarHBondContact O-N 3.03Å; L230-K232 VanDerWaalsContact C-N 3.32Å; L230-K232 PolarHBondContact O-N 3.36Å; K232-H236 WeakPolarHBondContact O-CB 3.49Å; K232-H236 PolarHBondContact O-N 3.46Å; K232-F282 HydrophobicContact CB-CD1 3.8Å; K232-F282 HydrophobicContact CB-CE1 3.75Å; K232-F282 HydrophobicContact CG-CD1 4.16Å; K232-N283 WeakPolarHBondContact CE-OD1 3.42Å; K232-N283 PolarHBondContact NZ-OD1 2.82Å
233L89.3Confident86.3Confident0 Ų076.4 Ų76.40%039%0.387CS..Hα-helixtrans-64.6-45.7176-70.3168.7000110.5V218 L221 L229 L230 I235 H236 F237 V259 I261 V280 F282 V289V218-L233 HydrophobicContact CG1-CD2 4.27Å; L221-L233 HydrophobicContact CD2-CD1 3.94Å; L221-L233 HydrophobicContact CD2-CD2 4.33Å; L229-L233 HydrophobicContact CD1-CD1 4.18Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.22Å; L229-L233 PolarHBondContact O-N 3.06Å; L230-L233 PolarHBondContact O-N 3.48Å; L233-I235 PolarHBondContact O-N 2.82Å; L233-H236 PolarHBondContact O-N 2.88Å; L233-H236 VanDerWaalsContact O-N 3.16Å; L233-F237 HydrophobicContact CB-CD2 4.35Å; L233-F237 HydrophobicContact CD2-CD2 4.38Å; L233-F237 HydrophobicContact CD2-CE2 3.79Å; L233-F237 WeakPolarHBondContact O-CB 3.19Å; L233-F237 WeakPolarHBondContact O-CD2 3.41Å; L233-F237 PolarHBondContact O-N 3.33Å; L233-V259 HydrophobicContact CD1-CB 3.92Å; L233-V259 HydrophobicContact CD1-CG1 3.88Å; L233-V259 HydrophobicContact CD1-CG2 3.79Å; L233-I261 HydrophobicContact CB-CD1 4.19Å; L233-V280 HydrophobicContact CD2-CG2 4.39Å; L233-F282 HydrophobicContact CD2-CZ 3.92Å; L233-F282 HydrophobicContact CG-CE1 4.39Å; L233-F282 HydrophobicContact CG-CZ 4.25Å; L233-V289 HydrophobicContact CD2-CG1 4.44Å
234E90.6Very high86.5Confident80 Ų8066.1 Ų66.137%0.37434%0.344SS..Hα-helixtrans-58.5-47.5176.2-175-179.1175.800111.9L230 H236 S238 V247L230-E234 VanDerWaalsContact O-CB 3.3Å; L230-E234 WeakPolarHBondContact O-CB 3.44Å; L230-E234 PolarHBondContact O-N 3.08Å; E234-H236 VanDerWaalsContact C-N 3.3Å; E234-H236 PolarHBondContact O-N 3.33Å; E234-S238 WeakPolarHBondContact O-CB 3.41Å; E234-S238 PolarHBondContact O-N 3.19Å; E234-S238 PolarHBondContact O-OG 2.85Å; E234-V247 HydrophobicContact CG-CB 4.13Å; E234-V247 HydrophobicContact CG-CG1 4.03Å; E234-V247 HydrophobicContact CG-CG2 4.4Å
235I89.1Confident86.7Confident75 Ų7562.8 Ų62.839%0.38533%0.33SS..Hα-helixtrans-65.6-32.2176.8-67.4169.3000112.4N231 L233 S238 K239N231-I235 WeakPolarHBondContact O-CB 3.46Å; N231-I235 VanDerWaalsContact O-CG1 3.24Å; N231-I235 WeakPolarHBondContact O-CG1 3.26Å; N231-I235 PolarHBondContact O-N 2.91Å; N231-I235 WeakPolarHBondContact OD1-CD1 3.43Å; L233-I235 PolarHBondContact O-N 2.82Å; I235-S238 VanDerWaalsContact C-OG 3.31Å; I235-S238 VanDerWaalsContact CA-OG 3.31Å; I235-S238 WeakPolarHBondContact CA-OG 3.25Å; I235-S238 PolarHBondContact O-OG 2.82Å; I235-K239 WeakPolarHBondContact O-CE 3.28Å
236H88.4Confident86.9Confident14 Ų1465.2 Ų65.27%0.06534%0.338CS..Hα-helixtrans-72.8-50.2178.1-178.3-87.4000111.3K232 L233 E234 K239 H242 K279 V280K232-H236 WeakPolarHBondContact O-CB 3.49Å; K232-H236 PolarHBondContact O-N 3.46Å; L233-H236 PolarHBondContact O-N 2.88Å; L233-H236 VanDerWaalsContact O-N 3.16Å; E234-H236 VanDerWaalsContact C-N 3.3Å; E234-H236 PolarHBondContact O-N 3.33Å; H236-K239 PolarHBondContact O-N 2.8Å; H236-H242 AromaticContact CD2-CD2 3.99Å; H236-H242 AromaticContact CE1-CG 3.73Å; H236-H242 AromaticContact NE2-CD2 3.87Å; H236-H242 AromaticContact NE2-CE1 3.88Å; H236-H242 AromaticContact NE2-CG 3.61Å; H236-H242 AromaticContact NE2-ND1 3.61Å; H236-H242 PolarHBondContact O-CD2 3.3Å; H236-K279 PolarHBondContact NE2-O 2.9Å; H236-V280 HydrophobicContact CB-CG1 3.96Å; H236-V280 HydrophobicContact CB-CG2 4.46Å
237F89.9Confident87.1Confident0 Ų063.3 Ų63.30%033%0.326CS..Hα-helixtrans-82-11.8-176.6-68.8-68.4000113.8V218 L233 K239 G244 G245 I261 F263 L272 H278 V280 V289 V291V218-F237 HydrophobicContact CG2-CE2 4.27Å; L233-F237 HydrophobicContact CB-CD2 4.35Å; L233-F237 HydrophobicContact CD2-CD2 4.38Å; L233-F237 HydrophobicContact CD2-CE2 3.79Å; L233-F237 WeakPolarHBondContact O-CB 3.19Å; L233-F237 WeakPolarHBondContact O-CD2 3.41Å; L233-F237 PolarHBondContact O-N 3.33Å; F237-K239 PolarHBondContact O-N 3.12Å; F237-G244 CarbonylContact O-C 3.51Å; F237-G244 WeakPolarHBondContact O-CA 3.12Å; F237-G245 PolarHBondContact O-N 3.36Å; F237-G245 VanDerWaalsContact O-O 3.12Å; F237-I261 HydrophobicContact CB-CD1 4.26Å; F237-I261 HydrophobicContact CD2-CD1 3.29Å; F237-I261 HydrophobicContact CE2-CD1 3.86Å; F237-I261 HydrophobicContact CG-CD1 3.97Å; F237-F263 HydrophobicContact CB-CE1 4.02Å; F237-F263 HydrophobicContact CB-CZ 3.97Å; F237-L272 HydrophobicContact CD1-CD1 3.97Å; F237-L272 HydrophobicContact CD1-CD2 3.9Å; F237-L272 HydrophobicContact CE1-CD1 4.43Å; F237-L272 HydrophobicContact CE1-CD2 3.95Å; F237-H278 HydrophobicContact CE1-CB 4.19Å; F237-H278 AromaticContact CE1-CG 3.87Å; F237-H278 AromaticContact CE1-ND1 3.91Å; F237-H278 HydrophobicContact CZ-CB 4.03Å; F237-V280 HydrophobicContact CE2-CG2 4.5Å; F237-V289 HydrophobicContact CE2-CG2 4.48Å; F237-V289 HydrophobicContact CZ-CG2 4.15Å; F237-V291 HydrophobicContact CE1-CG2 3.89Å; F237-V291 HydrophobicContact CZ-CG2 3.53Å
238S88.4Confident87.4Confident51 Ų5161.4 Ų61.436%0.35732%0.321SS..THydrogen-bonded Turntrans-68.6-18.1167.749.30000113.7E234 I235 G245E234-S238 WeakPolarHBondContact O-CB 3.41Å; E234-S238 PolarHBondContact O-N 3.19Å; E234-S238 PolarHBondContact O-OG 2.85Å; I235-S238 VanDerWaalsContact C-OG 3.31Å; I235-S238 VanDerWaalsContact CA-OG 3.31Å; I235-S238 WeakPolarHBondContact CA-OG 3.25Å; I235-S238 PolarHBondContact O-OG 2.82Å; S238-G245 VanDerWaalsContact CA-O 3.29Å; S238-G245 WeakPolarHBondContact CA-O 3.39Å
239K87.3Confident87.6Confident106 Ų10657.3 Ų57.346%0.46130%0.304SS..  trans-92.7120.9-176.5-66.2172.8-174.6174.50111.2I235 H236 F237 K241 H242 G244I235-K239 WeakPolarHBondContact O-CE 3.28Å; H236-K239 PolarHBondContact O-N 2.8Å; F237-K239 PolarHBondContact O-N 3.12Å; K239-K241 PolarHBondContact O-N 3.01Å; K239-K241 VanDerWaalsContact O-N 3.07Å; K239-H242 PolarHBondContact O-N 2.97Å; K239-G244 PolarHBondContact O-N 3.3Å
240S82.3Confident87.7Confident95 Ų9558 Ų5866%0.66431%0.309SS*.G310 helixtrans-60.2-21.9175.3-45.70000114.4H242 G243 G244S240-H242 PolarHBondContact O-N 3.47Å; S240-G243 PolarHBondContact O-N 3.44Å; S240-G243 VanDerWaalsContact O-N 3.07Å; S240-G244 VanDerWaalsContact CA-O 3.31Å; S240-G244 WeakPolarHBondContact CA-O 3.24Å
241K82.4Confident87.7Confident192 Ų19261.7 Ų61.784%0.83533%0.325SS*.G310 helixtrans-59.5-27.3173.5-174.4177.4179.2-178.80113K239K239-K241 PolarHBondContact O-N 3.01Å; K239-K241 VanDerWaalsContact O-N 3.07Å
242H81.1Confident87.6Confident67 Ų6761.1 Ų61.131%0.3132%0.319SS..G310 helixtrans-98.815.8179.7-58.9-65.1000112.4H236 K239 S240 G244H236-H242 AromaticContact CD2-CD2 3.99Å; H236-H242 AromaticContact CE1-CG 3.73Å; H236-H242 AromaticContact NE2-CD2 3.87Å; H236-H242 AromaticContact NE2-CE1 3.88Å; H236-H242 AromaticContact NE2-CG 3.61Å; H236-H242 AromaticContact NE2-ND1 3.61Å; H236-H242 PolarHBondContact O-CD2 3.3Å; K239-H242 PolarHBondContact O-N 2.97Å; S240-H242 PolarHBondContact O-N 3.47Å; H242-G244 PolarHBondContact O-N 2.96Å
243G78.8Confident87.5Confident32 Ų3261.5 Ų61.533%0.3332%0.323SS..THydrogen-bonded Turntrans75.67.4-174.500000113.8S240 L272S240-G243 PolarHBondContact O-N 3.44Å; S240-G243 VanDerWaalsContact O-N 3.07Å; G243-L272 WeakPolarHBondContact O-CD2 3.19Å; G243-L272 WeakPolarHBondContact O-CG 3.32Å
244G83.6Confident87Confident7 Ų766 Ų667%0.07235%0.354CS..  trans-92-166.3178.600000114F237 K239 S240 H242F237-G244 CarbonylContact O-C 3.51Å; F237-G244 WeakPolarHBondContact O-CA 3.12Å; K239-G244 PolarHBondContact O-N 3.3Å; S240-G244 VanDerWaalsContact CA-O 3.31Å; S240-G244 WeakPolarHBondContact CA-O 3.24Å; H242-G244 PolarHBondContact O-N 2.96Å
245G87.3Confident86.2Confident6 Ų669.6 Ų69.66%0.06238%0.376CS..  trans-173.2-170.1175.300000111.2F237 S238 V247 F263F237-G245 PolarHBondContact O-N 3.36Å; F237-G245 VanDerWaalsContact O-O 3.12Å; S238-G245 VanDerWaalsContact CA-O 3.29Å; S238-G245 WeakPolarHBondContact CA-O 3.39Å; G245-V247 PolarHBondContact O-N 3.37Å; G245-V247 VanDerWaalsContact O-N 3.11Å; G245-F263 WeakPolarHBondContact O-CD1 3.42Å
246E90.5Very high85.5Confident135 Ų13569.5 Ų69.563%0.63138%0.382SS*.  trans-53.4119.9-173.9-168.1169.8-173.400111.9F263 V264E246-F263 WeakPolarHBondContact O-CA 3.33Å; E246-V264 HydrophobicContact CB-CB 4.39Å; E246-V264 HydrophobicContact CB-CG2 4.22Å; E246-V264 HydrophobicContact CG-CG2 3.91Å; E246-V264 PolarHBondContact O-N 2.94Å
247V91Very high85.2Confident21 Ų2170.5 Ų70.513%0.12740%0.396CS..EExtended strand (participates in β ladder)trans-88.9126.7-178.6178.60000107.8E234 G245 I261 F263E234-V247 HydrophobicContact CG-CB 4.13Å; E234-V247 HydrophobicContact CG-CG1 4.03Å; E234-V247 HydrophobicContact CG-CG2 4.4Å; G245-V247 PolarHBondContact O-N 3.37Å; G245-V247 VanDerWaalsContact O-N 3.11Å; V247-I261 HydrophobicContact CG1-CG2 3.77Å; V247-I261 HydrophobicContact CG2-CG2 4.04Å; V247-F263 HydrophobicContact CG2-CD1 3.99Å; V247-F263 HydrophobicContact CG2-CE1 3.76Å
248D91.7Very high85.1Confident113 Ų11371.2 Ų71.260%0.60440%0.401SS*.EExtended strand (participates in β ladder)trans-84.2-47173.9-176.758.1000110.7T262 V264D248-T262 HydrophobicContact CB-CG2 4.2Å; D248-T262 PolarHBondContact N-O 2.88Å; D248-V264 HydrophobicContact CB-CG2 3.95Å
249S90.3Very high85.1Confident29 Ų2968.8 Ų68.820%0.20338%0.384CS..EExtended strand (participates in β ladder)trans-152.4155.1178.475.90000113.5H251 T262S249-H251 PolarHBondContact OG-NE2 2.92Å; S249-T262 PolarHBondContact N-O 2.86Å; S249-T262 PolarHBondContact O-N 3.36Å; S249-T262 WeakPolarHBondContact OG-CB 3.38Å; S249-T262 PolarHBondContact OG-OG1 3.43Å
250C90.4Very high85.3Confident19 Ų1964 Ų6413%0.12836%0.364CS..EExtended strand (participates in β ladder)trans-136.9117.5178.6-167.30000108.8L230 V259 V260L230-C250 HydrophobicContact CD2-CB 4.37Å; L230-C250 WeakPolarHBondContact CD2-SG 3.44Å; C250-V259 VanDerWaalsContact SG-CG1 3.54Å; C250-V260 WeakPolarHBondContact CA-O 3.48Å
251H89.9Confident85.8Confident112 Ų11259.5 Ų59.552%0.51933%0.332SS..EExtended strand (participates in β ladder)trans-127.4133.6-174-65.4-63.5000111.7S249 V259 V260S249-H251 PolarHBondContact OG-NE2 2.92Å; H251-V259 CarbonylContact O-C 3.52Å; H251-V259 WeakPolarHBondContact O-CA 3.3Å; H251-V260 PolarHBondContact N-O 3.2Å; H251-V260 PolarHBondContact O-N 3.07Å
252F88.6Confident86.3Confident70 Ų7051.1 Ų51.131%0.30730%0.297SS..EExtended strand (participates in β ladder)trans-87.7126.7172.8-172.7-100.2000109.8L221 T226 L229 L230 V259L221-F252 HydrophobicContact CD1-CE2 4.4Å; T226-F252 HydrophobicContact CG2-CB 4.39Å; T226-F252 HydrophobicContact CG2-CD1 3.7Å; T226-F252 HydrophobicContact CG2-CD2 4.09Å; T226-F252 HydrophobicContact CG2-CE1 3.89Å; T226-F252 HydrophobicContact CG2-CE2 4.31Å; T226-F252 HydrophobicContact CG2-CG 3.8Å; T226-F252 HydrophobicContact CG2-CZ 4.2Å; L229-F252 HydrophobicContact CD2-CD2 4.2Å; L229-F252 HydrophobicContact CD2-CE2 4.08Å; L230-F252 HydrophobicContact CD1-CB 4.27Å; L230-F252 HydrophobicContact CD2-CB 4.14Å; L230-F252 HydrophobicContact CG-CB 4.47Å; F252-V259 HydrophobicContact CB-CG2 4.46Å; F252-V259 HydrophobicContact CD2-CG2 3.59Å; F252-V259 HydrophobicContact CE2-CG2 4.36Å; F252-V259 HydrophobicContact CG-CG2 4.49Å
253L86.3Confident86.8Confident67 Ų6748.1 Ų48.135%0.35128%0.283SS..EExtended strand (participates in β ladder)trans-91.2104.6171-62.6177.4000108.2L217 D255 G257 T258 V260L217-L253 HydrophobicContact CD1-CD1 4.18Å; L253-D255 PolarHBondContact O-N 3.42Å; L253-G257 WeakPolarHBondContact O-CA 3.3Å; L253-G257 PolarHBondContact O-N 3.11Å; L253-T258 WeakPolarHBondContact CB-O 3.4Å; L253-T258 PolarHBondContact N-O 2.68Å; L253-T258 PolarHBondContact O-N 2.78Å; L253-V260 HydrophobicContact CD1-CG2 3.54Å; L253-V260 HydrophobicContact CG-CG2 3.94Å
254S79.2Confident87.3Confident94 Ų9450 Ų5066%0.65729%0.288SS*.THydrogen-bonded Turntrans-58.3-35.3177.340.60000112.8S256S254-S256 VanDerWaalsContact C-N 3.34Å; S254-S256 PolarHBondContact O-N 2.91Å
255D73.5Confident87.4Confident156 Ų15654.1 Ų54.183%0.83431%0.309SS*.THydrogen-bonded Turntrans-68.5-35.3-171.2-52-8000112L253L253-D255 PolarHBondContact O-N 3.42Å
256S74.8Confident87Confident73 Ų7358.2 Ų58.251%0.5133%0.329SS..THydrogen-bonded Turntrans-112.8-6.4-17852.70000113.8S254 T258S254-S256 VanDerWaalsContact C-N 3.34Å; S254-S256 PolarHBondContact O-N 2.91Å; S256-T258 PolarHBondContact O-N 3.4Å; S256-T258 PolarHBondContact OG-OG1 2.76Å
257G81.5Confident86.5Confident35 Ų3557.5 Ų57.536%0.36133%0.329SS..THydrogen-bonded Turntrans64.825.1-174.700000113.9L253L253-G257 WeakPolarHBondContact O-CA 3.3Å; L253-G257 PolarHBondContact O-N 3.11Å
258T88.3Confident86.1Confident16 Ų1657.2 Ų57.210%0.09833%0.327CS..EExtended strand (participates in β ladder)trans-112.1157.9-176.9550000111.6L217 V218 L253 S256L217-T258 WeakPolarHBondContact CD1-OG1 3.48Å; V218-T258 WeakPolarHBondContact O-CA 3.45Å; V218-T258 WeakPolarHBondContact O-CB 3.37Å; L253-T258 WeakPolarHBondContact CB-O 3.4Å; L253-T258 PolarHBondContact N-O 2.68Å; L253-T258 PolarHBondContact O-N 2.78Å; S256-T258 PolarHBondContact O-N 3.4Å; S256-T258 PolarHBondContact OG-OG1 2.76Å
259V89.6Confident85.6Confident0 Ų051.9 Ų51.90%030%0.299CS..EExtended strand (participates in β ladder)trans-109.7133.4176.7170.40000110.2V218 L221 L229 L230 L233 C250 H251 F252 I261V218-V259 HydrophobicContact CB-CB 4.36Å; V218-V259 PolarHBondContact N-O 2.92Å; V218-V259 PolarHBondContact O-N 2.86Å; L221-V259 HydrophobicContact CD1-CB 3.96Å; L221-V259 HydrophobicContact CD1-CG2 3.44Å; L221-V259 VanDerWaalsContact CD1-CG2 3.44Å; L229-V259 HydrophobicContact CD2-CG2 4.32Å; L230-V259 HydrophobicContact CD2-CB 4.44Å; L230-V259 HydrophobicContact CD2-CG1 3.7Å; L230-V259 HydrophobicContact CD2-CG2 3.81Å; L233-V259 HydrophobicContact CD1-CB 3.92Å; L233-V259 HydrophobicContact CD1-CG1 3.88Å; L233-V259 HydrophobicContact CD1-CG2 3.79Å; C250-V259 VanDerWaalsContact SG-CG1 3.54Å; H251-V259 CarbonylContact O-C 3.52Å; H251-V259 WeakPolarHBondContact O-CA 3.3Å; F252-V259 HydrophobicContact CB-CG2 4.46Å; F252-V259 HydrophobicContact CD2-CG2 3.59Å; F252-V259 HydrophobicContact CE2-CG2 4.36Å; F252-V259 HydrophobicContact CG-CG2 4.49Å; V259-I261 HydrophobicContact CG1-CG1 3.92Å
260V91.6Very high85.1Confident5 Ų555 Ų553%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-99.9126.4170.5-179.10000108.7V216 L217 C250 H251 L253 F294V216-V260 WeakPolarHBondContact O-CA 3.32Å; L217-V260 HydrophobicContact CD1-CG2 3.77Å; C250-V260 WeakPolarHBondContact CA-O 3.48Å; H251-V260 PolarHBondContact N-O 3.2Å; H251-V260 PolarHBondContact O-N 3.07Å; L253-V260 HydrophobicContact CD1-CG2 3.54Å; L253-V260 HydrophobicContact CG-CG2 3.94Å; V260-F294 HydrophobicContact CG1-CD2 3.88Å; V260-F294 HydrophobicContact CG1-CE2 4.07Å; V260-F294 HydrophobicContact CG2-CD2 3.97Å; V260-F294 HydrophobicContact CG2-CE2 3.71Å
261I91.9Very high84.7Confident0 Ų058.5 Ų58.50%033%0.327CS..EExtended strand (participates in β ladder)trans-113.2127.9174.9-51.8-179.6000108R215 V216 V218 L233 F237 V247 V259 F263R215-I261 WeakPolarHBondContact CA-O 3.43Å; V216-I261 HydrophobicContact CG2-CB 3.86Å; V216-I261 HydrophobicContact CG2-CG1 4.46Å; V216-I261 PolarHBondContact N-O 3.14Å; V216-I261 PolarHBondContact O-N 3.28Å; V218-I261 HydrophobicContact CG2-CD1 3.75Å; V218-I261 HydrophobicContact CG2-CG1 4.11Å; L233-I261 HydrophobicContact CB-CD1 4.19Å; F237-I261 HydrophobicContact CB-CD1 4.26Å; F237-I261 HydrophobicContact CD2-CD1 3.29Å; F237-I261 HydrophobicContact CE2-CD1 3.86Å; F237-I261 HydrophobicContact CG-CD1 3.97Å; V247-I261 HydrophobicContact CG1-CG2 3.77Å; V247-I261 HydrophobicContact CG2-CG2 4.04Å; V259-I261 HydrophobicContact CG1-CG1 3.92Å; I261-F263 HydrophobicContact CB-CE2 4.38Å; I261-F263 HydrophobicContact CB-CZ 4.38Å; I261-F263 HydrophobicContact CG2-CE1 4.02Å; I261-F263 HydrophobicContact CG2-CE2 3.99Å; I261-F263 HydrophobicContact CG2-CZ 3.69Å
262T91.9Very high84.4Confident16 Ų1653.1 Ų53.110%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-106.2126.8176.5-48.70000108.1R215 D248 S249R215-T262 HydrophobicContact CG-CG2 3.93Å; D248-T262 HydrophobicContact CB-CG2 4.2Å; D248-T262 PolarHBondContact N-O 2.88Å; S249-T262 PolarHBondContact N-O 2.86Å; S249-T262 PolarHBondContact O-N 3.36Å; S249-T262 WeakPolarHBondContact OG-CB 3.38Å; S249-T262 PolarHBondContact OG-OG1 3.43Å
263F91.8Very high84Confident4 Ų449.8 Ų49.82%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-102.8154.8176.2-61.3-81.1000110.9H214 V216 F237 G245 E246 V247 I261 N265 I268 L272H214-F263 WeakPolarHBondContact O-CD2 3.5Å; H214-F263 PolarHBondContact O-N 3.3Å; V216-F263 HydrophobicContact CG1-CE2 4.11Å; V216-F263 HydrophobicContact CG2-CE2 3.69Å; V216-F263 HydrophobicContact CG2-CZ 4.32Å; F237-F263 HydrophobicContact CB-CE1 4.02Å; F237-F263 HydrophobicContact CB-CZ 3.97Å; G245-F263 WeakPolarHBondContact O-CD1 3.42Å; E246-F263 WeakPolarHBondContact O-CA 3.33Å; V247-F263 HydrophobicContact CG2-CD1 3.99Å; V247-F263 HydrophobicContact CG2-CE1 3.76Å; I261-F263 HydrophobicContact CB-CE2 4.38Å; I261-F263 HydrophobicContact CB-CZ 4.38Å; I261-F263 HydrophobicContact CG2-CE1 4.02Å; I261-F263 HydrophobicContact CG2-CE2 3.99Å; I261-F263 HydrophobicContact CG2-CZ 3.69Å; F263-N265 VanDerWaalsContact C-N 3.34Å; F263-I268 HydrophobicContact CB-CB 4.37Å; F263-I268 HydrophobicContact CB-CD1 3.9Å; F263-I268 HydrophobicContact CD1-CB 4.46Å; F263-I268 HydrophobicContact CD1-CD1 4.03Å; F263-I268 HydrophobicContact CD1-CG2 3.88Å; F263-I268 HydrophobicContact CD2-CB 4.22Å; F263-I268 HydrophobicContact CD2-CG2 3.9Å; F263-I268 HydrophobicContact CE1-CG2 3.9Å; F263-I268 HydrophobicContact CE2-CG2 3.91Å; F263-I268 HydrophobicContact CG-CB 4.1Å; F263-I268 HydrophobicContact CG-CD1 4.08Å; F263-I268 HydrophobicContact CG-CG2 3.88Å; F263-I268 HydrophobicContact CZ-CG2 3.92Å; F263-L272 HydrophobicContact CE1-CD1 4.33Å; F263-L272 HydrophobicContact CE2-CD1 3.56Å; F263-L272 HydrophobicContact CZ-CD1 3.36Å
264V89.2Confident83.7Confident73 Ų7349.5 Ų49.544%0.44229%0.286SS..SBendtrans-71.3-31.9174.1-178.90000111.2E246 D248E246-V264 HydrophobicContact CB-CB 4.39Å; E246-V264 HydrophobicContact CB-CG2 4.22Å; E246-V264 HydrophobicContact CG-CG2 3.91Å; E246-V264 PolarHBondContact O-N 2.94Å; D248-V264 HydrophobicContact CB-CG2 3.95Å
265N87Confident83.7Confident93 Ų9348.9 Ų48.950%0.49728%0.279SS..SBendtrans-101.2140.9-177.6-61.6-34.9000113F263 N267 I268F263-N265 VanDerWaalsContact C-N 3.34Å; N265-N267 VanDerWaalsContact C-N 3.34Å; N265-N267 PolarHBondContact O-N 3.03Å; N265-I268 HydrophobicContact CB-CD1 3.73Å; N265-I268 HydrophobicContact CB-CG1 4.22Å
266N78.5Confident84Confident91 Ų9143.5 Ų43.549%0.48725%0.249SC..THydrogen-bonded Turntrans-81.98-173.8-66.1-30000116.1P213 H214P213-N266 CarbonylContact C-O 3.44Å; P213-N266 HydrophobicContact CB-CB 4.29Å; P213-N266 VanDerWaalsContact CB-O 3.28Å; P213-N266 WeakPolarHBondContact CB-O 3.48Å; P213-N266 HydrophobicContact CG-CB 4.39Å; P213-N266 CarbonylContact O-C 3.57Å; H214-N266 WeakPolarHBondContact CB-OD1 3.44Å; H214-N266 PolarHBondContact ND1-OD1 3.4Å
267N80.1Confident84.6Confident120 Ų12045.3 Ų45.364%0.64225%0.249SC*.THydrogen-bonded Turntrans-116.1-6.7-178.5-59.9-8.4000112.7N265N265-N267 VanDerWaalsContact C-N 3.34Å; N265-N267 PolarHBondContact O-N 3.03Å
268I82.1Confident84.9Confident15 Ų1544.3 Ų44.38%0.07724%0.235CC..Hα-helixtrans-76-33.2-172.8-62.9164.4000110.9F263 N265 E270 L272F263-I268 HydrophobicContact CB-CB 4.37Å; F263-I268 HydrophobicContact CB-CD1 3.9Å; F263-I268 HydrophobicContact CD1-CB 4.46Å; F263-I268 HydrophobicContact CD1-CD1 4.03Å; F263-I268 HydrophobicContact CD1-CG2 3.88Å; F263-I268 HydrophobicContact CD2-CB 4.22Å; F263-I268 HydrophobicContact CD2-CG2 3.9Å; F263-I268 HydrophobicContact CE1-CG2 3.9Å; F263-I268 HydrophobicContact CE2-CG2 3.91Å; F263-I268 HydrophobicContact CG-CB 4.1Å; F263-I268 HydrophobicContact CG-CD1 4.08Å; F263-I268 HydrophobicContact CG-CG2 3.88Å; F263-I268 HydrophobicContact CZ-CG2 3.92Å; N265-I268 HydrophobicContact CB-CD1 3.73Å; N265-I268 HydrophobicContact CB-CG1 4.22Å; I268-E270 PolarHBondContact O-N 2.95Å; I268-L272 HydrophobicContact CG2-CD1 3.62Å; I268-L272 HydrophobicContact CG2-CG 4.07Å; I268-L272 WeakPolarHBondContact O-CB 3.49Å; I268-L272 VanDerWaalsContact O-CG 3.3Å; I268-L272 WeakPolarHBondContact O-CG 3.44Å; I268-L272 PolarHBondContact O-N 2.74Å; I268-L272 VanDerWaalsContact O-N 3.11Å
269A82.1Confident84.8Confident2 Ų249.6 Ų49.62%0.01726%0.256CS..Hα-helixtrans-67.9-37-174.800000112.7P213 V216 A273P213-A269 VanDerWaalsContact C-CB 3.5Å; P213-A269 WeakPolarHBondContact O-CB 3.48Å; P213-A269 PolarHBondContact O-N 2.91Å; V216-A269 HydrophobicContact CG1-CB 3.55Å; A269-A273 VanDerWaalsContact O-CB 3.24Å; A269-A273 WeakPolarHBondContact O-CB 3.32Å; A269-A273 PolarHBondContact O-N 2.9Å
270E79.6Confident84.7Confident93 Ų9349.6 Ų49.644%0.43526%0.257SS..Hα-helixtrans-65.3-48.7178.3-66.4-175.6174.100111.2I268 L272 A273 L274I268-E270 PolarHBondContact O-N 2.95Å; E270-L272 VanDerWaalsContact C-N 3.34Å; E270-L272 PolarHBondContact O-N 2.85Å; E270-A273 PolarHBondContact O-N 3.12Å; E270-L274 WeakPolarHBondContact O-CG 3.49Å; E270-L274 PolarHBondContact O-N 2.94Å
271D80.8Confident84.3Confident93 Ų9353.8 Ų53.850%0.49728%0.279SS..Hα-helixtrans-61-41.4178.6-71.9-19000112.3L274 T275D271-L274 PolarHBondContact O-N 2.89Å; D271-T275 PolarHBondContact O-N 3.38Å; D271-T275 PolarHBondContact O-OG1 3.2Å
272L84.1Confident83.8Confident0 Ų054.6 Ų54.60%028%0.282CS..Hα-helixtrans-68.9-38.4177.3-73178000112.3V216 F237 G243 F263 I268 E270 T275 E276 H278 V291V216-L272 HydrophobicContact CG1-CB 4.29Å; V216-L272 HydrophobicContact CG1-CD1 4.32Å; F237-L272 HydrophobicContact CD1-CD1 3.97Å; F237-L272 HydrophobicContact CD1-CD2 3.9Å; F237-L272 HydrophobicContact CE1-CD1 4.43Å; F237-L272 HydrophobicContact CE1-CD2 3.95Å; G243-L272 WeakPolarHBondContact O-CD2 3.19Å; G243-L272 WeakPolarHBondContact O-CG 3.32Å; F263-L272 HydrophobicContact CE1-CD1 4.33Å; F263-L272 HydrophobicContact CE2-CD1 3.56Å; F263-L272 HydrophobicContact CZ-CD1 3.36Å; I268-L272 HydrophobicContact CG2-CD1 3.62Å; I268-L272 HydrophobicContact CG2-CG 4.07Å; I268-L272 WeakPolarHBondContact O-CB 3.49Å; I268-L272 VanDerWaalsContact O-CG 3.3Å; I268-L272 WeakPolarHBondContact O-CG 3.44Å; I268-L272 PolarHBondContact O-N 2.74Å; I268-L272 VanDerWaalsContact O-N 3.11Å; E270-L272 VanDerWaalsContact C-N 3.34Å; E270-L272 PolarHBondContact O-N 2.85Å; L272-T275 PolarHBondContact O-N 3.24Å; L272-T275 PolarHBondContact O-OG1 3.06Å; L272-T275 VanDerWaalsContact O-OG1 3.06Å; L272-E276 PolarHBondContact O-N 3.02Å; L272-E276 VanDerWaalsContact O-N 3.14Å; L272-H278 WeakPolarHBondContact CD2-CE1 3.47Å; L272-H278 PolarHBondContact O-NE2 3.18Å; L272-H278 VanDerWaalsContact O-NE2 3.17Å; L272-V291 HydrophobicContact CB-CG1 3.99Å
273A81.3Confident82.8Confident0 Ų059.7 Ų59.70%031%0.309CS..Hα-helixtrans-67.7-34.9174.500000112K125 A269 E270 T275 E276 P293K125-A273 WeakPolarHBondContact CD-O 3.32Å; K125-A273 PolarHBondContact NZ-O 3.49Å; A269-A273 VanDerWaalsContact O-CB 3.24Å; A269-A273 WeakPolarHBondContact O-CB 3.32Å; A269-A273 PolarHBondContact O-N 2.9Å; E270-A273 PolarHBondContact O-N 3.12Å; A273-T275 VanDerWaalsContact C-N 3.29Å; A273-T275 PolarHBondContact O-N 3.11Å; A273-E276 PolarHBondContact O-N 3.26Å; A273-P293 HydrophobicContact CB-CB 4.25Å; A273-P293 HydrophobicContact CB-CG 4.33Å
274L78.3Confident81.7Confident60 Ų6068.9 Ų68.931%0.31435%0.349SS..Hα-helixtrans-63.9-33.5175.2-81.2167.1000112.7K125 E270 D271K125-L274 VanDerWaalsContact NZ-C 3.28Å; K125-L274 PolarHBondContact NZ-O 2.95Å; E270-L274 WeakPolarHBondContact O-CG 3.49Å; E270-L274 PolarHBondContact O-N 2.94Å; D271-L274 PolarHBondContact O-N 2.89Å
275T79.1Confident81Confident82 Ų8271.6 Ų71.650%0.50336%0.361SS..Hα-helixtrans-81.3-29176.728.90000112.9D271 L272 A273 H277 H278D271-T275 PolarHBondContact O-N 3.38Å; D271-T275 PolarHBondContact O-OG1 3.2Å; L272-T275 PolarHBondContact O-N 3.24Å; L272-T275 PolarHBondContact O-OG1 3.06Å; L272-T275 VanDerWaalsContact O-OG1 3.06Å; A273-T275 VanDerWaalsContact C-N 3.29Å; A273-T275 PolarHBondContact O-N 3.11Å; T275-H277 PolarHBondContact O-N 2.88Å; T275-H278 PolarHBondContact OG1-CE1 2.77Å; T275-H278 PolarHBondContact OG1-NE2 2.83Å
276E81.7Confident80.9Confident43 Ų4373.3 Ų73.320%0.20136%0.364CS..  trans59.8-51.4175.2-168.5-174.9164.900115.2K125 L272 A273 R290 V291K125-E276 HydrophobicContact CD-CB 4.41Å; K125-E276 WeakPolarHBondContact CE-OE2 3.5Å; K125-E276 IonicContact NZ-OE2 2.77Å; L272-E276 PolarHBondContact O-N 3.02Å; L272-E276 VanDerWaalsContact O-N 3.14Å; A273-E276 PolarHBondContact O-N 3.26Å; E276-R290 HydrophobicContact CG-CG 3.72Å; E276-R290 CarbonylContact O-C 3.21Å; E276-R290 VanDerWaalsContact O-CA 3.26Å; E276-R290 WeakPolarHBondContact O-CA 3.46Å; E276-R290 WeakPolarHBondContact O-CG 3.34Å; E276-V291 WeakPolarHBondContact CA-O 3.38Å; E276-V291 PolarHBondContact O-N 3.07Å
277H87.4Confident81.2Confident110 Ų11071.9 Ų71.951%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-108.4114.9-176.1-64.384.8000110.9T275 I288T275-H277 PolarHBondContact O-N 2.88Å; H277-I288 HydrophobicContact CB-CG2 3.91Å
278H86Confident81.6Confident14 Ų1470.3 Ų70.37%0.06535%0.345CS..EExtended strand (participates in β ladder)trans-115.7129.4-176.1-73-92.6000111.2F237 L272 T275 V280 I288 V289 V291F237-H278 HydrophobicContact CE1-CB 4.19Å; F237-H278 AromaticContact CE1-CG 3.87Å; F237-H278 AromaticContact CE1-ND1 3.91Å; F237-H278 HydrophobicContact CZ-CB 4.03Å; L272-H278 WeakPolarHBondContact CD2-CE1 3.47Å; L272-H278 PolarHBondContact O-NE2 3.18Å; L272-H278 VanDerWaalsContact O-NE2 3.17Å; T275-H278 PolarHBondContact OG1-CE1 2.77Å; T275-H278 PolarHBondContact OG1-NE2 2.83Å; H278-V280 PolarHBondContact O-N 3.44Å; H278-I288 WeakPolarHBondContact O-CA 3.45Å; H278-V289 HydrophobicContact CB-CG2 3.97Å; H278-V289 PolarHBondContact N-O 3.49Å; H278-V289 PolarHBondContact O-N 2.85Å; H278-V291 HydrophobicContact CB-CG2 4.29Å; H278-V291 WeakPolarHBondContact CD2-CG2 3.41Å
279K87.3Confident82Confident127 Ų12769.6 Ų69.655%0.55234%0.341SS*.EExtended strand (participates in β ladder)trans-92101-179.5-167.2174.4-166.1174.10110.6H236 K286 H287H236-K279 PolarHBondContact NE2-O 2.9Å; K279-K286 HydrophobicContact CD-CB 4.23Å; K279-K286 HydrophobicContact CD-CD 4.01Å; K279-K286 VanDerWaalsContact CE-CD 3.44Å; K279-K286 HydrophobicContact CG-CB 3.97Å; K279-K286 HydrophobicContact CG-CD 4.32Å; K279-K286 HydrophobicContact CG-CG 4.39Å; K279-H287 WeakPolarHBondContact CA-O 3.44Å
280V86.8Confident82.3Confident1 Ų170.7 Ų70.71%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-99.3136.5-176.1-1760000110.8L233 H236 F237 H278 F282 K286 H287 V289L233-V280 HydrophobicContact CD2-CG2 4.39Å; H236-V280 HydrophobicContact CB-CG1 3.96Å; H236-V280 HydrophobicContact CB-CG2 4.46Å; F237-V280 HydrophobicContact CE2-CG2 4.5Å; H278-V280 PolarHBondContact O-N 3.44Å; V280-F282 HydrophobicContact CB-CD2 4.16Å; V280-F282 HydrophobicContact CB-CE2 3.57Å; V280-F282 HydrophobicContact CB-CZ 3.95Å; V280-F282 HydrophobicContact CG1-CD1 4.5Å; V280-F282 HydrophobicContact CG1-CD2 4.09Å; V280-F282 HydrophobicContact CG1-CE1 4.01Å; V280-F282 HydrophobicContact CG1-CE2 3.6Å; V280-F282 HydrophobicContact CG1-CZ 3.56Å; V280-F282 PolarHBondContact O-N 2.85Å; V280-K286 WeakPolarHBondContact O-CA 3.33Å; V280-H287 PolarHBondContact N-O 2.79Å; V280-H287 PolarHBondContact O-N 2.79Å; V280-V289 HydrophobicContact CB-CG1 4.5Å; V280-V289 HydrophobicContact CG2-CG1 4.2Å; V280-V289 HydrophobicContact CG2-CG2 3.58Å
281D83.9Confident82.7Confident93 Ų9366.2 Ų66.250%0.49732%0.324SS..EExtended strand (participates in β ladder)trans-84.9102.3177-83.1-52.9000111.1N283 K286D281-N283 PolarHBondContact O-N 2.81Å; D281-K286 WeakPolarHBondContact OD1-CE 3.3Å; D281-K286 WeakPolarHBondContact OD1-CG 3.42Å
282F81.3Confident83Confident17 Ų1761.9 Ų61.98%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-99.571175-66.6-76.1000110.7P222 M224 L229 K232 L233 V280 K284 N285 H287 V289P222-F282 HydrophobicContact CG-CD1 4.38Å; P222-F282 HydrophobicContact CG-CD2 3.87Å; P222-F282 HydrophobicContact CG-CE1 4.38Å; P222-F282 HydrophobicContact CG-CE2 3.81Å; P222-F282 HydrophobicContact CG-CG 4.14Å; P222-F282 HydrophobicContact CG-CZ 4.08Å; M224-F282 HydrophobicContact CE-CB 3.63Å; M224-F282 HydrophobicContact CE-CD1 3.6Å; M224-F282 HydrophobicContact CE-CD2 4.45Å; M224-F282 HydrophobicContact CE-CE1 4.37Å; M224-F282 HydrophobicContact CE-CG 3.65Å; M224-F282 HydrophobicContact SD-CD1 3.69Å; M224-F282 HydrophobicContact SD-CE1 4.22Å; M224-F282 HydrophobicContact SD-CG 4.36Å; L229-F282 HydrophobicContact CD1-CD1 4.42Å; L229-F282 HydrophobicContact CD1-CE1 3.61Å; L229-F282 HydrophobicContact CD1-CZ 3.88Å; K232-F282 HydrophobicContact CB-CD1 3.8Å; K232-F282 HydrophobicContact CB-CE1 3.75Å; K232-F282 HydrophobicContact CG-CD1 4.16Å; L233-F282 HydrophobicContact CD2-CZ 3.92Å; L233-F282 HydrophobicContact CG-CE1 4.39Å; L233-F282 HydrophobicContact CG-CZ 4.25Å; V280-F282 HydrophobicContact CB-CD2 4.16Å; V280-F282 HydrophobicContact CB-CE2 3.57Å; V280-F282 HydrophobicContact CB-CZ 3.95Å; V280-F282 HydrophobicContact CG1-CD1 4.5Å; V280-F282 HydrophobicContact CG1-CD2 4.09Å; V280-F282 HydrophobicContact CG1-CE1 4.01Å; V280-F282 HydrophobicContact CG1-CE2 3.6Å; V280-F282 HydrophobicContact CG1-CZ 3.56Å; V280-F282 PolarHBondContact O-N 2.85Å; F282-K284 VanDerWaalsContact C-N 3.26Å; F282-K284 PolarHBondContact O-N 3.4Å; F282-N285 PolarHBondContact N-O 3.34Å; F282-N285 PolarHBondContact O-N 2.87Å; F282-H287 HydrophobicContact CD2-CB 3.66Å; F282-H287 HydrophobicContact CE2-CB 3.92Å; F282-V289 HydrophobicContact CE2-CG1 3.88Å; F282-V289 HydrophobicContact CZ-CG1 4.15Å
283N71.4Confident83Confident122 Ų12262 Ų6265%0.65230%0.301SS*.THydrogen-bonded Turntrans54-70.6178.9-69.2-19.8000115.7K232 D281K232-N283 WeakPolarHBondContact CE-OD1 3.42Å; K232-N283 PolarHBondContact NZ-OD1 2.82Å; D281-N283 PolarHBondContact O-N 2.81Å
284K68.2Low83.2Confident197 Ų19763.7 Ų63.786%0.85731%0.309SS*.THydrogen-bonded Turntrans-93.8-24.6-173.5-65.9-176.3179.6178.40113.2F282F282-K284 VanDerWaalsContact C-N 3.26Å; F282-K284 PolarHBondContact O-N 3.4Å
285N75.1Confident83.4Confident130 Ų13062.5 Ų62.570%0.69530%0.304SS*.EExtended strand (participates in β ladder)trans-142.7150.7-178.8-75.7-26.9000112.1F282F282-N285 PolarHBondContact N-O 3.34Å; F282-N285 PolarHBondContact O-N 2.87Å
286K83.1Confident83.5Confident129 Ų12961.5 Ų61.556%0.56130%0.296SS*.EExtended strand (participates in β ladder)trans-83.3124.2167.1-75.2179.5-176.7-172.70109.3K279 V280 D281K279-K286 HydrophobicContact CD-CB 4.23Å; K279-K286 HydrophobicContact CD-CD 4.01Å; K279-K286 VanDerWaalsContact CE-CD 3.44Å; K279-K286 HydrophobicContact CG-CB 3.97Å; K279-K286 HydrophobicContact CG-CD 4.32Å; K279-K286 HydrophobicContact CG-CG 4.39Å; V280-K286 WeakPolarHBondContact O-CA 3.33Å; D281-K286 WeakPolarHBondContact OD1-CE 3.3Å; D281-K286 WeakPolarHBondContact OD1-CG 3.42Å
287H86.6Confident83.5Confident62 Ų6262 Ų6229%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-115.2144.7176.3-160.974.2000110.3N220 K279 V280 F282N220-H287 PolarHBondContact O-CD2 2.86Å; N220-H287 PolarHBondContact O-NE2 3.37Å; K279-H287 WeakPolarHBondContact CA-O 3.44Å; V280-H287 PolarHBondContact N-O 2.79Å; V280-H287 PolarHBondContact O-N 2.79Å; F282-H287 HydrophobicContact CD2-CB 3.66Å; F282-H287 HydrophobicContact CE2-CB 3.92Å
288I88.3Confident83.1Confident87 Ų8764 Ų6445%0.44632%0.319SS..EExtended strand (participates in β ladder)trans-95107.1176.8-58.9175.7000106.9N220 H277 H278N220-I288 PolarHBondContact ND2-O 2.95Å; H277-I288 HydrophobicContact CB-CG2 3.91Å; H278-I288 WeakPolarHBondContact O-CA 3.45Å
289V89.9Confident83Confident0 Ų068 Ų680%034%0.34CS..EExtended strand (participates in β ladder)trans-92151172.7-53.80000108.9V218 L221 L233 F237 H278 V280 F282 V291V218-V289 HydrophobicContact CG1-CB 3.72Å; V218-V289 HydrophobicContact CG1-CG2 3.71Å; L221-V289 HydrophobicContact CD2-CB 4.34Å; L221-V289 HydrophobicContact CD2-CG1 3.92Å; L233-V289 HydrophobicContact CD2-CG1 4.44Å; F237-V289 HydrophobicContact CE2-CG2 4.48Å; F237-V289 HydrophobicContact CZ-CG2 4.15Å; H278-V289 HydrophobicContact CB-CG2 3.97Å; H278-V289 PolarHBondContact N-O 3.49Å; H278-V289 PolarHBondContact O-N 2.85Å; V280-V289 HydrophobicContact CB-CG1 4.5Å; V280-V289 HydrophobicContact CG2-CG1 4.2Å; V280-V289 HydrophobicContact CG2-CG2 3.58Å; F282-V289 HydrophobicContact CE2-CG1 3.88Å; F282-V289 HydrophobicContact CZ-CG1 4.15Å; V289-V291 HydrophobicContact CG2-CG2 4.44Å
290R88.1Confident82.9Confident24 Ų2466 Ų669%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-105.7127177.1-161179.584.2173.17.6110.9E128 V218 S219 E276E128-R290 VanDerWaalsContact CB-NH2 3.3Å; E128-R290 VanDerWaalsContact CD-CZ 3.45Å; E128-R290 VanDerWaalsContact CD-NH2 3.31Å; E128-R290 IonicContact OE1-CZ 3.88Å; E128-R290 IonicContact OE1-NH1 3.56Å; E128-R290 PolarHBondContact OE1-NH1 3.22Å; E128-R290 IonicContact OE1-NH2 3.84Å; E128-R290 IonicContact OE2-CZ 2.72Å; E128-R290 IonicContact OE2-NH1 3.64Å; E128-R290 PolarHBondContact OE2-NH1 2.8Å; E128-R290 IonicContact OE2-NH2 2.81Å; V218-R290 CarbonylContact C-O 3.46Å; V218-R290 VanDerWaalsContact CA-O 3.3Å; V218-R290 WeakPolarHBondContact CA-O 3.48Å; S219-R290 PolarHBondContact N-O 2.7Å; S219-R290 PolarHBondContact O-N 3Å; S219-R290 PolarHBondContact OG-O 3.16Å; E276-R290 HydrophobicContact CG-CG 3.72Å; E276-R290 CarbonylContact O-C 3.21Å; E276-R290 VanDerWaalsContact O-CA 3.26Å; E276-R290 WeakPolarHBondContact O-CA 3.46Å; E276-R290 WeakPolarHBondContact O-CG 3.34Å
291V88.6Confident82.7Confident0 Ų068.3 Ų68.30%035%0.351CS..EExtended strand (participates in β ladder)trans-109.4124.4-179-173.10000108.9V216 L217 V218 F237 L272 E276 H278 V289V216-V291 HydrophobicContact CB-CG1 3.66Å; V216-V291 HydrophobicContact CG1-CG1 4.03Å; V216-V291 HydrophobicContact CG2-CG1 3.89Å; L217-V291 WeakPolarHBondContact O-CA 3.39Å; V218-V291 HydrophobicContact CG1-CG2 4.35Å; V218-V291 HydrophobicContact CG2-CG2 4.23Å; F237-V291 HydrophobicContact CE1-CG2 3.89Å; F237-V291 HydrophobicContact CZ-CG2 3.53Å; L272-V291 HydrophobicContact CB-CG1 3.99Å; E276-V291 WeakPolarHBondContact CA-O 3.38Å; E276-V291 PolarHBondContact O-N 3.07Å; H278-V291 HydrophobicContact CB-CG2 4.29Å; H278-V291 WeakPolarHBondContact CD2-CG2 3.41Å; V289-V291 HydrophobicContact CG2-CG2 4.44Å
292T86.5Confident82.7Confident1 Ų168.4 Ų68.41%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-125.6153.4179.950.60000109.1K125 L217K125-T292 WeakPolarHBondContact O-CG2 3.48Å; L217-T292 PolarHBondContact N-O 2.71Å; L217-T292 PolarHBondContact O-N 3.41Å; L217-T292 PolarHBondContact O-OG1 3.48Å; L217-T292 VanDerWaalsContact O-OG1 3.09Å
293P84.1Confident82.9Confident2 Ų272.3 Ų72.31%0.01337%0.37CS..EExtended strand (participates in β ladder)trans-62.8141.117726.5-31.1000109.9V122 K125 I211 A273 V295V122-P293 HydrophobicContact CG1-CB 4.21Å; V122-P293 HydrophobicContact CG1-CG 3.97Å; K125-P293 VanDerWaalsContact O-CD 3.32Å; K125-P293 WeakPolarHBondContact O-CD 3.14Å; I211-P293 HydrophobicContact CG1-CB 4.48Å; I211-P293 HydrophobicContact CG2-CB 3.66Å; A273-P293 HydrophobicContact CB-CB 4.25Å; A273-P293 HydrophobicContact CB-CG 4.33Å; P293-V295 PolarHBondContact O-N 3.03Å
294F84.9Confident83.6Confident37 Ų3770 Ų7016%0.16236%0.36CS..EExtended strand (participates in β ladder)trans-77.4120.4173-171.3-84.6000109.2C212 R215 V260 N296C212-F294 HydrophobicContact CB-CB 4.18Å; C212-F294 HydrophobicContact CB-CD1 4.19Å; C212-F294 VanDerWaalsContact CB-O 3.25Å; C212-F294 WeakPolarHBondContact CB-O 3.28Å; C212-F294 PolarHBondContact N-O 3Å; R215-F294 HydrophobicContact CB-CB 3.58Å; R215-F294 HydrophobicContact CB-CD1 4.34Å; R215-F294 HydrophobicContact CB-CG 3.96Å; R215-F294 VanDerWaalsContact CZ-CE1 3.41Å; R215-F294 WeakPolarHBondContact O-CB 3.31Å; R215-F294 PolarHBondContact O-N 3.21Å; R215-F294 VanDerWaalsContact O-N 3.12Å; V260-F294 HydrophobicContact CG1-CD2 3.88Å; V260-F294 HydrophobicContact CG1-CE2 4.07Å; V260-F294 HydrophobicContact CG2-CD2 3.97Å; V260-F294 HydrophobicContact CG2-CE2 3.71Å; F294-N296 WeakPolarHBondContact CD1-OD1 3.32Å; F294-N296 VanDerWaalsContact CE1-OD1 3.22Å; F294-N296 WeakPolarHBondContact CE1-OD1 2.94Å
295V82.8Confident84.5Confident35 Ų3569.5 Ų69.521%0.21235%0.353CS..EExtended strand (participates in β ladder)trans-93.9118.4178.5-175.40000108.8M126 T209 D210 P293M126-V295 HydrophobicContact CE-CG1 4.26Å; M126-V295 HydrophobicContact CE-CG2 3.93Å; T209-V295 HydrophobicContact CG2-CG1 4.11Å; D210-V295 CarbonylContact O-C 3.54Å; P293-V295 PolarHBondContact O-N 3.03Å
296N81.7Confident85Confident61 Ų6167 Ų6733%0.32634%0.342SS..EExtended strand (participates in β ladder)trans-81.8128.8168.4-65.6-42.6000108.3T209 D210 C212 R215 F294T209-N296 CarbonylContact C-O 3.59Å; T209-N296 WeakPolarHBondContact CA-O 3.2Å; D210-N296 PolarHBondContact N-O 3.5Å; D210-N296 PolarHBondContact O-N 3.44Å; C212-N296 WeakPolarHBondContact CB-ND2 3.49Å; R215-N296 PolarHBondContact NH1-OD1 2.86Å; F294-N296 WeakPolarHBondContact CD1-OD1 3.32Å; F294-N296 VanDerWaalsContact CE1-OD1 3.22Å; F294-N296 WeakPolarHBondContact CE1-OD1 2.94Å
297G80.7Confident85.2Confident53 Ų5363.7 Ų63.755%0.54634%0.336SS..EExtended strand (participates in β ladder)trans-106.4127.9170.200000109.9D208D208-G297 CarbonylContact O-C 3.57Å; D208-G297 WeakPolarHBondContact O-CA 2.94Å
298K80.9Confident85.3Confident151 Ų15165.3 Ų65.366%0.65734%0.344SS*.EExtended strand (participates in β ladder)trans-111.2123168.1-173.4179177.5-174.10108.8I207 D208 T300I207-K298 WeakPolarHBondContact CA-O 3.33Å; D208-K298 PolarHBondContact N-O 2.86Å; D208-K298 PolarHBondContact O-N 3.12Å; K298-T300 PolarHBondContact O-N 2.93Å; K298-T300 VanDerWaalsContact O-N 3.14Å
299I83.5Confident85.2Confident99 Ų9961.9 Ų61.951%0.50833%0.328SS..EExtended strand (participates in β ladder)trans-66.3116.1173.3-57.8170000107.6V205 E206 I207 L302V205-I299 HydrophobicContact CG1-CG1 4.41Å; V205-I299 HydrophobicContact CG1-CG2 4.2Å; E206-I299 WeakPolarHBondContact O-CA 3.39Å; I207-I299 HydrophobicContact CG1-CG1 4.27Å; I299-L302 HydrophobicContact CG2-CB 4.05Å
300T85.3Confident85.1Confident84 Ų8464.5 Ų64.552%0.51535%0.345SS..EExtended strand (participates in β ladder)trans-95.4-34.9178.644.80000111.6E206 D208 K298E206-T300 PolarHBondContact O-N 3.41Å; E206-T300 PolarHBondContact O-OG1 2.64Å; D208-T300 HydrophobicContact CB-CG2 3.46Å; D208-T300 VanDerWaalsContact CB-CG2 3.46Å; K298-T300 PolarHBondContact O-N 2.93Å; K298-T300 VanDerWaalsContact O-N 3.14Å
301N81.9Confident85.1Confident51 Ų5166.8 Ų66.827%0.27335%0.354SS..EExtended strand (participates in β ladder)trans-136.1132.4177.5-165.16.9000110.2V205 E206V205-N301 WeakPolarHBondContact CA-O 3.37Å; E206-N301 HydrophobicContact CB-CB 3.79Å; E206-N301 HydrophobicContact CG-CB 3.93Å; E206-N301 PolarHBondContact N-O 3.26Å; E206-N301 PolarHBondContact O-N 2.81Å; E206-N301 WeakPolarHBondContact OE2-CB 3.49Å; E206-N301 PolarHBondContact OE2-ND2 2.85Å
302L84.4Confident85.2Confident94 Ų9467.2 Ų67.249%0.49236%0.356SS..EExtended strand (participates in β ladder)trans-136.2106.8175.3175.364.2000107.9P202 L204 V205 I299 T304P202-L302 HydrophobicContact CB-CD1 3.94Å; L204-L302 WeakPolarHBondContact O-CA 3.34Å; V205-L302 HydrophobicContact CG2-CD1 3.8Å; I299-L302 HydrophobicContact CG2-CB 4.05Å; L302-T304 HydrophobicContact CD1-CG2 4.42Å; L302-T304 HydrophobicContact CD2-CG2 4.43Å; L302-T304 HydrophobicContact CG-CG2 4.13Å
303E85.2Confident85.5Confident99 Ų9967.2 Ų67.246%0.46336%0.356SS..EExtended strand (participates in β ladder)trans-95.2140.1169.3-57.7-173.5172.500109P202 S203 L204P202-E303 WeakPolarHBondContact CA-O 3.47Å; S203-E303 PolarHBondContact N-O 3.05Å; S203-E303 VanDerWaalsContact OG-C 3.3Å; S203-E303 VanDerWaalsContact OG-CB 3.32Å; S203-E303 WeakPolarHBondContact OG-CB 3Å; S203-E303 PolarHBondContact OG-O 3.4Å; L204-E303 HydrophobicContact CB-CB 3.94Å; L204-E303 HydrophobicContact CB-CG 4.08Å; L204-E303 HydrophobicContact CD2-CG 4.33Å; L204-E303 PolarHBondContact N-O 3.49Å; L204-E303 PolarHBondContact O-N 3.26Å
304T86.6Confident85.9Confident73 Ų7367.9 Ų67.945%0.44836%0.359SS..EExtended strand (participates in β ladder)trans-125.2146.1179.358.90000110.3M200 M201 L302M200-T304 WeakPolarHBondContact CE-OG1 3.5Å; M201-T304 CarbonylContact O-C 3.46Å; M201-T304 VanDerWaalsContact O-CA 3.26Å; M201-T304 WeakPolarHBondContact O-CA 3.34Å; L302-T304 HydrophobicContact CD1-CG2 4.42Å; L302-T304 HydrophobicContact CD2-CG2 4.43Å; L302-T304 HydrophobicContact CG-CG2 4.13Å
305R86.3Confident86.3Confident187 Ų18766.1 Ų66.171%0.70635%0.352SS*.EExtended strand (participates in β ladder)trans-125.8136.6174.9-175.9177.5175.9-171.1-1.2109.3M201 S307M201-R305 PolarHBondContact N-O 3.04Å; M201-R305 PolarHBondContact O-N 3.47Å; R305-S307 PolarHBondContact O-N 2.88Å
306T86.4Confident86.6Confident78 Ų7865.7 Ų65.748%0.47935%0.349SS..EExtended strand (participates in β ladder)trans-73.7123.7169.9-50.50000109.4H198 L199H198-T306 HydrophobicContact CB-CG2 3.71Å; L199-T306 WeakPolarHBondContact O-CA 3.37Å
307S86.1Confident86.8Confident60 Ų6065.4 Ų65.442%0.4236%0.36SS..EExtended strand (participates in β ladder)trans-119140.3174.1-1660000109.8H198 L199 R305H198-S307 CarbonylContact C-O 3.52Å; H198-S307 WeakPolarHBondContact CA-O 3.16Å; L199-S307 PolarHBondContact N-O 3.4Å; L199-S307 PolarHBondContact O-N 3.23Å; R305-S307 PolarHBondContact O-N 2.88Å
308M88.2Confident87.2Confident95 Ų9563.1 Ų63.147%0.46834%0.336SS..EExtended strand (participates in β ladder)trans-86.2135.7175.1-171.7179.978.200109.3P196 V197 P310P196-M308 HydrophobicContact CB-CG 4.05Å; P196-M308 HydrophobicContact CB-SD 3.74Å; V197-M308 WeakPolarHBondContact O-CA 3.35Å; M308-P310 VanDerWaalsContact O-CD 3.28Å; M308-P310 WeakPolarHBondContact O-CD 3.49Å
309C87.6Confident87.3Confident15 Ų1558.2 Ų58.210%0.10132%0.319CS..EExtended strand (participates in β ladder)trans-73.6116.5171.5-65.20000109.3V197 L199 R311V197-C309 HydrophobicContact CB-CB 4.17Å; V197-C309 PolarHBondContact O-N 3.17Å; L199-C309 WeakPolarHBondContact CD1-SG 3.47Å; L199-C309 VanDerWaalsContact CG-SG 3.55Å; C309-R311 VanDerWaalsContact C-N 3.35Å; C309-R311 PolarHBondContact O-N 2.85Å
310P86.7Confident87.3Confident55 Ų5558.9 Ų58.936%0.35732%0.324SS..EExtended strand (participates in β ladder)trans-67.5-37-17722.2-30.3000112.5E168 A171 M308E168-P310 HydrophobicContact CB-CB 4.37Å; E168-P310 HydrophobicContact CG-CB 3.64Å; E168-P310 WeakPolarHBondContact OE1-CB 3.38Å; A171-P310 VanDerWaalsContact CB-O 3.24Å; A171-P310 WeakPolarHBondContact CB-O 3.48Å; M308-P310 VanDerWaalsContact O-CD 3.28Å; M308-P310 WeakPolarHBondContact O-CD 3.49Å
311R89.3Confident87.1Confident73 Ų7358.8 Ų58.828%0.27532%0.323SS..EExtended strand (participates in β ladder)trans-98.5-6.9-172.7-62.5-167.2-65.7143.67.9114.5T164 F165 E166 E168 C309 E346T164-R311 WeakPolarHBondContact CA-O 3.19Å; T164-R311 HydrophobicContact CG2-CB 4.38Å; F165-R311 PolarHBondContact N-O 3.34Å; F165-R311 WeakPolarHBondContact O-CB 3.47Å; E166-R311 WeakPolarHBondContact O-CD 3.25Å; E166-R311 PolarHBondContact O-NH1 3.26Å; E168-R311 HydrophobicContact CB-CG 4.02Å; C309-R311 VanDerWaalsContact C-N 3.35Å; C309-R311 PolarHBondContact O-N 2.85Å; R311-E346 IonicContact CZ-OE2 3.61Å; R311-E346 IonicContact NH1-OE2 3.89Å; R311-E346 PolarHBondContact NH1-OE2 3.02Å; R311-E346 IonicContact NH2-OE2 3.65Å; R311-E346 PolarHBondContact NH2-OE2 3.42Å
312T91Very high87.1Confident9 Ų958.6 Ų58.66%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-115132.2-172.9-490000112.1L162 I163 T164 V197 F361L162-T312 HydrophobicContact CD2-CG2 3.88Å; I163-T312 CarbonylContact O-C 3.58Å; I163-T312 VanDerWaalsContact O-CA 3.26Å; I163-T312 WeakPolarHBondContact O-CA 3.4Å; I163-T312 WeakPolarHBondContact O-CG2 3.15Å; T164-T312 PolarHBondContact OG1-OG1 3.26Å; V197-T312 HydrophobicContact CG2-CG2 4.06Å; T312-F361 HydrophobicContact CG2-CE1 3.95Å; T312-F361 HydrophobicContact CG2-CZ 4.13Å
313V92Very high87.2Confident0 Ų058.3 Ų58.30%032%0.32CS..EExtended strand (participates in β ladder)trans-118.7137.4178.7179.90000110.2L162 I163 F165 A171 I174 L175 A194 L315L162-V313 WeakPolarHBondContact CA-O 3.45Å; I163-V313 PolarHBondContact N-O 2.78Å; I163-V313 PolarHBondContact O-N 2.65Å; F165-V313 HydrophobicContact CD2-CG2 4.46Å; F165-V313 HydrophobicContact CE2-CB 4.36Å; F165-V313 HydrophobicContact CE2-CG2 4.01Å; A171-V313 HydrophobicContact CB-CG2 3.9Å; I174-V313 HydrophobicContact CG2-CG1 4.01Å; I174-V313 HydrophobicContact CG2-CG2 4.36Å; L175-V313 HydrophobicContact CD1-CG2 4.36Å; L175-V313 HydrophobicContact CD2-CG1 3.9Å; L175-V313 HydrophobicContact CD2-CG2 4.17Å; L175-V313 HydrophobicContact CG-CG1 4.49Å; L175-V313 HydrophobicContact CG-CG2 3.96Å; A194-V313 HydrophobicContact CB-CG1 3.75Å; V313-L315 HydrophobicContact CG1-CD2 4.33Å
314L93Very high87.1Confident16 Ų1659.4 Ų59.48%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-95.7124.6170-17869.4000109.6A161 L162 A194 Q195 V197 T316A161-L314 CarbonylContact O-C 3.58Å; A161-L314 WeakPolarHBondContact O-CA 3.24Å; L162-L314 HydrophobicContact CD2-CB 4.13Å; L162-L314 HydrophobicContact CD2-CD1 3.81Å; L162-L314 HydrophobicContact CG-CD1 4.01Å; A194-L314 CarbonylContact C-O 3.52Å; A194-L314 WeakPolarHBondContact CA-O 3.15Å; Q195-L314 PolarHBondContact N-O 3.22Å; Q195-L314 PolarHBondContact O-N 2.94Å; V197-L314 HydrophobicContact CG2-CB 3.82Å; L314-T316 HydrophobicContact CD2-CG2 3.94Å; L314-T316 HydrophobicContact CG-CG2 3.98Å
315L92.1Very high87.2Confident0 Ų063 Ų630%033%0.332CS..EExtended strand (participates in β ladder)trans-96.7129.3169.4-60.1-179.2000109.7T160 A161 I163 V192 E193 A194 V313 I318 F335T160-L315 CarbonylContact C-O 3.54Å; T160-L315 WeakPolarHBondContact CA-O 3.48Å; T160-L315 WeakPolarHBondContact CB-O 3.4Å; A161-L315 HydrophobicContact CB-CB 4.27Å; A161-L315 HydrophobicContact CB-CD1 4.5Å; A161-L315 PolarHBondContact N-O 3.5Å; A161-L315 PolarHBondContact O-N 3.11Å; I163-L315 HydrophobicContact CD1-CD1 3.46Å; I163-L315 VanDerWaalsContact CD1-CD1 3.46Å; I163-L315 HydrophobicContact CD1-CG 4.16Å; I163-L315 HydrophobicContact CG1-CD1 4.14Å; I163-L315 HydrophobicContact CG1-CG 4.47Å; V192-L315 HydrophobicContact CG2-CD2 4.28Å; E193-L315 CarbonylContact O-C 3.47Å; E193-L315 VanDerWaalsContact O-CA 3.32Å; E193-L315 WeakPolarHBondContact O-CA 3.36Å; A194-L315 HydrophobicContact CB-CD2 3.95Å; V313-L315 HydrophobicContact CG1-CD2 4.33Å; L315-I318 HydrophobicContact CB-CD1 4.23Å; L315-F335 HydrophobicContact CD1-CD2 3.81Å; L315-F335 HydrophobicContact CD1-CE2 3.24Å; L315-F335 HydrophobicContact CD1-CZ 3.64Å; L315-F335 HydrophobicContact CD2-CE1 4.19Å; L315-F335 HydrophobicContact CD2-CE2 4.21Å; L315-F335 HydrophobicContact CD2-CZ 3.69Å; L315-F335 HydrophobicContact CG-CE2 4.36Å; L315-F335 HydrophobicContact CG-CZ 4.34Å
316T90.8Very high87.2Confident27 Ų2757 Ų5717%0.16632%0.316CS..EExtended strand (participates in β ladder)trans-121.8161.6176.666.70000111.1T160 V192 E193 L314T160-T316 HydrophobicContact CG2-CG2 4Å; V192-T316 WeakPolarHBondContact CA-O 3.49Å; E193-T316 PolarHBondContact N-O 2.83Å; E193-T316 PolarHBondContact O-N 3.33Å; L314-T316 HydrophobicContact CD2-CG2 3.94Å; L314-T316 HydrophobicContact CG-CG2 3.98Å
317G85.7Confident87.2Confident54 Ų5453.2 Ų53.256%0.55729%0.293SS*.  trans8127.5179.800000113.9P319G317-P319 WeakPolarHBondContact O-CD 3.16Å
318I87.4Confident87.3Confident5 Ų552.5 Ų52.53%0.02628%0.283CS..  trans-83115.1176.3-55.8168.2000108.5G159 A161 V192 L315 M327 L331 Y350G159-I318 WeakPolarHBondContact CA-O 3.32Å; G159-I318 WeakPolarHBondContact O-CB 3.42Å; G159-I318 PolarHBondContact O-N 3.05Å; G159-I318 VanDerWaalsContact O-N 3.12Å; A161-I318 HydrophobicContact CB-CD1 3.57Å; V192-I318 HydrophobicContact CG1-CG1 3.88Å; L315-I318 HydrophobicContact CB-CD1 4.23Å; I318-M327 HydrophobicContact CG2-CE 3.32Å; I318-L331 HydrophobicContact CD1-CD1 3.81Å; I318-L331 HydrophobicContact CG1-CD1 4.45Å; I318-L331 HydrophobicContact CG2-CD1 4.3Å; I318-Y350 HydrophobicContact CB-CE2 4.12Å; I318-Y350 HydrophobicContact CD1-CD2 4.01Å; I318-Y350 HydrophobicContact CD1-CE2 3.93Å; I318-Y350 HydrophobicContact CG2-CE2 3.65Å
319P84Confident87.3Confident48 Ų4852.2 Ų52.231%0.31228%0.283SS..  trans-83.9155.6-179.235.4-34.9000111.8I190 G317 V321I190-P319 HydrophobicContact CB-CG 4.43Å; I190-P319 HydrophobicContact CG2-CG 3.62Å; G317-P319 WeakPolarHBondContact O-CD 3.16Å; P319-V321 HydrophobicContact CB-CG1 3.96Å; P319-V321 HydrophobicContact CG-CG1 3.88Å; P319-V321 HydrophobicContact CG-CG2 4.19Å; P319-V321 PolarHBondContact O-N 3.5Å; P319-V321 VanDerWaalsContact O-N 3.11Å
320D83Confident87.4Confident114 Ų11453.9 Ų53.961%0.6129%0.29SS*.SBendtrans-81.983.6173.5-173.326.7000110.6V353D320-V353 HydrophobicContact CB-CB 4.03Å; D320-V353 HydrophobicContact CB-CG2 3.92Å
321V82.1Confident87.4Confident81 Ų8151.3 Ų51.349%0.49127%0.273SS..  trans-117.6-16-174.8-67.60000114.2L184 P319 M327L184-V321 HydrophobicContact CD1-CG2 3.84Å; P319-V321 HydrophobicContact CB-CG1 3.96Å; P319-V321 HydrophobicContact CG-CG1 3.88Å; P319-V321 HydrophobicContact CG-CG2 4.19Å; P319-V321 PolarHBondContact O-N 3.5Å; P319-V321 VanDerWaalsContact O-N 3.11Å; V321-M327 HydrophobicContact CG2-SD 3.96Å
322M81.3Confident87.4Confident47 Ų4750.7 Ų50.723%0.23227%0.274CS..SBendtrans-151.9177.8175.969.4-174.868.700109.6L184 T326 M327L184-M322 HydrophobicContact CB-CE 3.74Å; L184-M322 HydrophobicContact CD1-CE 3.62Å; L184-M322 HydrophobicContact CD2-CE 3.66Å; L184-M322 HydrophobicContact CG-CE 3.85Å; M322-T326 HydrophobicContact SD-CG2 3.61Å; M322-M327 HydrophobicContact CE-SD 3.63Å; M322-M327 HydrophobicContact CG-CB 4.14Å; M322-M327 HydrophobicContact CG-CG 3.21Å; M322-M327 HydrophobicContact CG-SD 3.24Å; M322-M327 WeakPolarHBondContact CG-SD 3.26Å; M322-M327 HydrophobicContact SD-CB 4.42Å; M322-M327 HydrophobicContact SD-CG 3.9Å; M322-M327 HydrophobicContact SD-SD 3.43Å
323D85.6Confident87.2Confident88 Ų8854 Ų5447%0.47129%0.29SS..  trans-64.2157.5178.862.4-80.6000113E325 T326 M327D323-E325 PolarHBondContact O-N 3.41Å; D323-T326 PolarHBondContact O-N 3.28Å; D323-T326 WeakPolarHBondContact OD1-CB 3.34Å; D323-T326 PolarHBondContact OD1-OG1 3.36Å; D323-T326 VanDerWaalsContact OD2-CB 3.24Å; D323-T326 WeakPolarHBondContact OD2-CB 3.34Å; D323-T326 PolarHBondContact OD2-N 2.99Å; D323-T326 PolarHBondContact OD2-OG1 3.3Å; D323-M327 WeakPolarHBondContact O-CB 3.46Å; D323-M327 PolarHBondContact O-N 3.05Å
324R84.9Confident87Confident122 Ų12254.8 Ų54.846%0.4629%0.293SS..Hα-helixtrans-58.1-45.6-174.4178.1-176.3177.1-161.3-0.2113Q328 Y350 P352R324-Q328 VanDerWaalsContact O-CB 3.28Å; R324-Q328 WeakPolarHBondContact O-CB 3.29Å; R324-Q328 PolarHBondContact O-N 3.05Å; R324-Y350 HydrophobicContact CG-CD1 4.05Å; R324-Y350 HydrophobicContact CG-CE1 4.34Å; R324-P352 HydrophobicContact CB-CG 4.4Å; R324-P352 HydrophobicContact CG-CG 3.99Å
325E86.7Confident86.7Confident149 Ų14954 Ų5470%0.69629%0.289SS*.Hα-helixtrans-68-47.7-175.2-66177.2-177.600109.8D323 M327 Q328 D329D323-E325 PolarHBondContact O-N 3.41Å; E325-M327 PolarHBondContact O-N 3.01Å; E325-Q328 PolarHBondContact O-N 2.87Å; E325-D329 PolarHBondContact O-N 2.98Å
326T86.6Confident86.5Confident60 Ų6058.9 Ų58.937%0.36831%0.312SS..Hα-helixtrans-64.7-40.1177.4-51.40000112M322 D323 Q328 D329 M330M322-T326 HydrophobicContact SD-CG2 3.61Å; D323-T326 PolarHBondContact O-N 3.28Å; D323-T326 WeakPolarHBondContact OD1-CB 3.34Å; D323-T326 PolarHBondContact OD1-OG1 3.36Å; D323-T326 VanDerWaalsContact OD2-CB 3.24Å; D323-T326 WeakPolarHBondContact OD2-CB 3.34Å; D323-T326 PolarHBondContact OD2-N 2.99Å; D323-T326 PolarHBondContact OD2-OG1 3.3Å; T326-Q328 VanDerWaalsContact C-N 3.34Å; T326-Q328 PolarHBondContact O-N 3.37Å; T326-D329 PolarHBondContact O-N 3.46Å; T326-M330 HydrophobicContact CG2-CG 4.32Å; T326-M330 WeakPolarHBondContact O-CB 3.36Å; T326-M330 WeakPolarHBondContact O-CG 3.24Å; T326-M330 PolarHBondContact O-N 2.75Å
327M86.9Confident86.3Confident0 Ų063.2 Ų63.20%033%0.329CS..Hα-helixtrans-59.8-45.9174.1-85.9-52-69.800111.8L184 I190 I318 V321 M322 D323 E325 M330 L331 Y350L184-M327 HydrophobicContact CD2-SD 4.24Å; I190-M327 HydrophobicContact CD1-CE 3.79Å; I318-M327 HydrophobicContact CG2-CE 3.32Å; V321-M327 HydrophobicContact CG2-SD 3.96Å; M322-M327 HydrophobicContact CE-SD 3.63Å; M322-M327 HydrophobicContact CG-CB 4.14Å; M322-M327 HydrophobicContact CG-CG 3.21Å; M322-M327 HydrophobicContact CG-SD 3.24Å; M322-M327 WeakPolarHBondContact CG-SD 3.26Å; M322-M327 HydrophobicContact SD-CB 4.42Å; M322-M327 HydrophobicContact SD-CG 3.9Å; M322-M327 HydrophobicContact SD-SD 3.43Å; D323-M327 WeakPolarHBondContact O-CB 3.46Å; D323-M327 PolarHBondContact O-N 3.05Å; E325-M327 PolarHBondContact O-N 3.01Å; M327-M330 PolarHBondContact O-N 3.49Å; M327-L331 HydrophobicContact CE-CD1 4.3Å; M327-L331 WeakPolarHBondContact O-CB 3.48Å; M327-L331 VanDerWaalsContact O-CG 3.25Å; M327-L331 WeakPolarHBondContact O-CG 3.3Å; M327-L331 PolarHBondContact O-N 2.83Å; M327-Y350 HydrophobicContact CB-CD1 4.46Å; M327-Y350 HydrophobicContact CB-CE1 3.91Å; M327-Y350 HydrophobicContact CG-CE1 4.44Å
328Q88.1Confident85.7Confident45 Ų4566.9 Ų66.921%0.2134%0.336CS..Hα-helixtrans-61.6-50.6-180166.3161.4-3.100110.6R324 E325 T326 M330 L331 E332 F348R324-Q328 VanDerWaalsContact O-CB 3.28Å; R324-Q328 WeakPolarHBondContact O-CB 3.29Å; R324-Q328 PolarHBondContact O-N 3.05Å; E325-Q328 PolarHBondContact O-N 2.87Å; T326-Q328 VanDerWaalsContact C-N 3.34Å; T326-Q328 PolarHBondContact O-N 3.37Å; Q328-M330 VanDerWaalsContact C-N 3.32Å; Q328-M330 PolarHBondContact O-N 3.16Å; Q328-L331 PolarHBondContact O-N 3.02Å; Q328-E332 WeakPolarHBondContact O-CB 3.31Å; Q328-E332 PolarHBondContact O-N 3.38Å; Q328-F348 HydrophobicContact CB-CE1 4.02Å; Q328-F348 HydrophobicContact CG-CD1 3.67Å; Q328-F348 HydrophobicContact CG-CE1 3.53Å
329D89.3Confident85Confident89 Ų8970.1 Ų70.148%0.47637%0.37SS..Hα-helixtrans-58.4-43.4179-71.9-9.7000111.9E325 T326 E332 I333E325-D329 PolarHBondContact O-N 2.98Å; T326-D329 PolarHBondContact O-N 3.46Å; D329-E332 PolarHBondContact O-N 2.8Å; D329-I333 WeakPolarHBondContact O-CB 3.15Å; D329-I333 WeakPolarHBondContact O-CD1 3.1Å; D329-I333 WeakPolarHBondContact O-CG1 3.48Å; D329-I333 PolarHBondContact O-N 3.42Å
330M88.1Confident84.7Confident50 Ų5070.3 Ų70.325%0.24637%0.369CS..Hα-helixtrans-68-37.5-179-68.2-62.9-78.900112.5D183 L184 T326 M327 Q328 H334D183-M330 WeakPolarHBondContact O-CE 3.39Å; L184-M330 HydrophobicContact CD2-CB 4.19Å; T326-M330 HydrophobicContact CG2-CG 4.32Å; T326-M330 WeakPolarHBondContact O-CB 3.36Å; T326-M330 WeakPolarHBondContact O-CG 3.24Å; T326-M330 PolarHBondContact O-N 2.75Å; M327-M330 PolarHBondContact O-N 3.49Å; Q328-M330 VanDerWaalsContact C-N 3.32Å; Q328-M330 PolarHBondContact O-N 3.16Å; M330-H334 VanDerWaalsContact O-CB 3.32Å; M330-H334 WeakPolarHBondContact O-CB 3.21Å; M330-H334 PolarHBondContact O-N 2.67Å; M330-H334 VanDerWaalsContact O-N 3.12Å
331L87.3Confident84.4Confident0 Ų065.6 Ų65.60%035%0.347CS..Hα-helixtrans-67-48.4173-71.9168.5000110.7V182 I190 V192 I318 M327 Q328 I333 H334 F335 F348V182-L331 HydrophobicContact CG1-CD2 4.25Å; V182-L331 HydrophobicContact CG2-CD2 3.99Å; I190-L331 HydrophobicContact CD1-CD2 4.46Å; V192-L331 HydrophobicContact CG1-CD2 4.4Å; I318-L331 HydrophobicContact CD1-CD1 3.81Å; I318-L331 HydrophobicContact CG1-CD1 4.45Å; I318-L331 HydrophobicContact CG2-CD1 4.3Å; M327-L331 HydrophobicContact CE-CD1 4.3Å; M327-L331 WeakPolarHBondContact O-CB 3.48Å; M327-L331 VanDerWaalsContact O-CG 3.25Å; M327-L331 WeakPolarHBondContact O-CG 3.3Å; M327-L331 PolarHBondContact O-N 2.83Å; Q328-L331 PolarHBondContact O-N 3.02Å; L331-I333 PolarHBondContact O-N 2.93Å; L331-H334 WeakPolarHBondContact O-CB 3.45Å; L331-H334 PolarHBondContact O-N 3.4Å; L331-H334 VanDerWaalsContact O-N 3.11Å; L331-F335 HydrophobicContact CD2-CE2 4.29Å; L331-F335 WeakPolarHBondContact O-CD2 3.45Å; L331-F335 PolarHBondContact O-N 3.24Å; L331-F348 HydrophobicContact CB-CE2 3.97Å; L331-F348 HydrophobicContact CB-CZ 3.67Å; L331-F348 HydrophobicContact CD1-CZ 4.07Å
332E88.7Confident84.3Confident61 Ų6162.1 Ų62.129%0.28533%0.328SS..Hα-helixtrans-58.4-50.1180-163.8171.3162.800111.2Q328 D329 H334 F335 Q336 I345 F348Q328-E332 WeakPolarHBondContact O-CB 3.31Å; Q328-E332 PolarHBondContact O-N 3.38Å; D329-E332 PolarHBondContact O-N 2.8Å; E332-H334 VanDerWaalsContact C-N 3.27Å; E332-H334 PolarHBondContact O-N 2.99Å; E332-F335 CarbonylContact O-C 3.37Å; E332-F335 PolarHBondContact O-N 3.2Å; E332-Q336 WeakPolarHBondContact O-CB 3.37Å; E332-Q336 PolarHBondContact O-N 3.03Å; E332-I345 HydrophobicContact CG-CD1 3.73Å; E332-F348 HydrophobicContact CB-CD2 4.44Å
333I87.9Confident84.6Confident77 Ų7760.3 Ų60.340%0.39532%0.321SS..Hα-helixtrans-59.6-36.6175.8-68.5165.4000111.8D329 L331 K337D329-I333 WeakPolarHBondContact O-CB 3.15Å; D329-I333 WeakPolarHBondContact O-CD1 3.1Å; D329-I333 WeakPolarHBondContact O-CG1 3.48Å; D329-I333 PolarHBondContact O-N 3.42Å; L331-I333 PolarHBondContact O-N 2.93Å; I333-K337 HydrophobicContact CG2-CD 4.5Å; I333-K337 VanDerWaalsContact O-CG 3.3Å; I333-K337 WeakPolarHBondContact O-CG 3.14Å; I333-K337 PolarHBondContact O-N 3.11Å
334H87.1Confident84.7Confident17 Ų1762.3 Ų62.38%0.07933%0.327CS..Hα-helixtrans-66.9-42.9178.7176.1-83.4000112.1K181 V182 M330 L331 E332 N340K181-H334 PolarHBondContact O-NE2 3.29Å; V182-H334 HydrophobicContact CG1-CB 3.87Å; V182-H334 HydrophobicContact CG2-CB 4.44Å; M330-H334 VanDerWaalsContact O-CB 3.32Å; M330-H334 WeakPolarHBondContact O-CB 3.21Å; M330-H334 PolarHBondContact O-N 2.67Å; M330-H334 VanDerWaalsContact O-N 3.12Å; L331-H334 WeakPolarHBondContact O-CB 3.45Å; L331-H334 PolarHBondContact O-N 3.4Å; L331-H334 VanDerWaalsContact O-N 3.11Å; E332-H334 VanDerWaalsContact C-N 3.27Å; E332-H334 PolarHBondContact O-N 2.99Å; H334-N340 PolarHBondContact CD2-ND2 3Å; H334-N340 PolarHBondContact NE2-ND2 2.95Å; H334-N340 PolarHBondContact O-ND2 3.22Å
335F87.1Confident84.9Confident0 Ų057.8 Ų57.80%031%0.312CS..Hα-helixtrans-87-7.3-178.6-70.8-75.7000114I163 F165 I174 H180 V182 V192 L315 L331 E332 G342 G343 I345I163-F335 HydrophobicContact CD1-CB 3.9Å; I163-F335 HydrophobicContact CD1-CD1 4.43Å; I163-F335 HydrophobicContact CD1-CD2 3.57Å; I163-F335 HydrophobicContact CD1-CE2 4.27Å; I163-F335 HydrophobicContact CD1-CG 3.7Å; F165-F335 HydrophobicContact CE1-CB 4.4Å; F165-F335 HydrophobicContact CZ-CB 4.28Å; I174-F335 HydrophobicContact CD1-CD1 3.85Å; I174-F335 HydrophobicContact CD1-CE1 4.14Å; I174-F335 HydrophobicContact CG1-CD1 4.4Å; I174-F335 HydrophobicContact CG2-CD1 4.31Å; I174-F335 HydrophobicContact CG2-CE1 4.02Å; H180-F335 HydrophobicContact CB-CE1 4.11Å; H180-F335 HydrophobicContact CB-CZ 3.8Å; H180-F335 AromaticContact CD2-CE1 3.93Å; H180-F335 AromaticContact CG-CE1 3.69Å; H180-F335 AromaticContact CG-CZ 3.89Å; H180-F335 AromaticContact ND1-CE1 3.86Å; V182-F335 HydrophobicContact CG2-CE2 4.26Å; V192-F335 HydrophobicContact CG2-CE2 4.28Å; V192-F335 HydrophobicContact CG2-CZ 3.92Å; L315-F335 HydrophobicContact CD1-CD2 3.81Å; L315-F335 HydrophobicContact CD1-CE2 3.24Å; L315-F335 HydrophobicContact CD1-CZ 3.64Å; L315-F335 HydrophobicContact CD2-CE1 4.19Å; L315-F335 HydrophobicContact CD2-CE2 4.21Å; L315-F335 HydrophobicContact CD2-CZ 3.69Å; L315-F335 HydrophobicContact CG-CE2 4.36Å; L315-F335 HydrophobicContact CG-CZ 4.34Å; L331-F335 HydrophobicContact CD2-CE2 4.29Å; L331-F335 WeakPolarHBondContact O-CD2 3.45Å; L331-F335 PolarHBondContact O-N 3.24Å; E332-F335 CarbonylContact O-C 3.37Å; E332-F335 PolarHBondContact O-N 3.2Å; F335-G342 CarbonylContact O-C 3.55Å; F335-G342 WeakPolarHBondContact O-CA 3.44Å; F335-G343 PolarHBondContact O-N 2.91Å; F335-I345 HydrophobicContact CB-CD1 4.3Å
336Q88.8Confident85Confident103 Ų10355.4 Ų55.448%0.48130%0.301SS..Hα-helixtrans-84.8-20167.3-161.4177.615.900112.7E332 N338 G343 I345E332-Q336 WeakPolarHBondContact O-CB 3.37Å; E332-Q336 PolarHBondContact O-N 3.03Å; Q336-N338 PolarHBondContact O-N 3.34Å; Q336-G343 WeakPolarHBondContact CA-O 3.29Å; Q336-I345 HydrophobicContact CB-CD1 4.4Å
337K85.9Confident85.1Confident118 Ų11855 Ų5551%0.51330%0.303SS..  trans-75.7117.4-179.5-77.8168.9-176172.80112I333 G339 N340 G342I333-K337 HydrophobicContact CG2-CD 4.5Å; I333-K337 VanDerWaalsContact O-CG 3.3Å; I333-K337 WeakPolarHBondContact O-CG 3.14Å; I333-K337 PolarHBondContact O-N 3.11Å; K337-G339 PolarHBondContact O-N 3.13Å; K337-G339 VanDerWaalsContact O-N 3.08Å; K337-N340 PolarHBondContact O-N 3.22Å; K337-G342 PolarHBondContact O-N 3.48Å
338N73.6Confident85.3Confident131 Ų13156.4 Ų56.470%0.70131%0.309SS*.G310 helixtrans-54.4-31.9175.7-61.712.2000113.5Q336 N340 G341Q336-N338 PolarHBondContact O-N 3.34Å; N338-N340 PolarHBondContact O-N 3.48Å; N338-G341 PolarHBondContact O-N 2.92Å
339G72.7Confident85.4Confident73 Ų7356.8 Ų56.875%0.75331%0.313SS*.G310 helixtrans-60-25.117700000114K337K337-G339 PolarHBondContact O-N 3.13Å; K337-G339 VanDerWaalsContact O-N 3.08Å
340N76.7Confident85.4Confident52 Ų5252.6 Ų52.628%0.27829%0.29SS..G310 helixtrans-93.51.8177.8-64-27.4000112.7K177 H334 K337 N338 G342K177-N340 PolarHBondContact NZ-O 3.47Å; H334-N340 PolarHBondContact CD2-ND2 3Å; H334-N340 PolarHBondContact NE2-ND2 2.95Å; H334-N340 PolarHBondContact O-ND2 3.22Å; K337-N340 PolarHBondContact O-N 3.22Å; N338-N340 PolarHBondContact O-N 3.48Å; N340-G342 VanDerWaalsContact C-N 3.31Å
341G76.3Confident85.5Confident15 Ų1550.2 Ų50.216%0.15528%0.279CS..THydrogen-bonded Turntrans79.516.4-169.600000113.2I174 N338I174-G341 WeakPolarHBondContact CD1-O 3.24Å; I174-G341 WeakPolarHBondContact CG1-O 3.4Å; N338-G341 PolarHBondContact O-N 2.92Å
342G81.4Confident85.5Confident8 Ų850.8 Ų50.88%0.08228%0.282CS..  trans-82.7179.1174.900000113.5F335 K337 N340F335-G342 CarbonylContact O-C 3.55Å; F335-G342 WeakPolarHBondContact O-CA 3.44Å; K337-G342 PolarHBondContact O-N 3.48Å; N340-G342 VanDerWaalsContact C-N 3.31Å
343G87.6Confident85.3Confident8 Ų850.7 Ų50.78%0.08229%0.286CS..  trans-167.9-164.9-17700000112F335 Q336 I345F335-G343 PolarHBondContact O-N 2.91Å; Q336-G343 WeakPolarHBondContact CA-O 3.29Å; G343-I345 PolarHBondContact O-N 3.44Å
344E87.9Confident84.8Confident130 Ų13050.1 Ų50.161%0.60730%0.299SS*.  trans-68.6130.9-179-62.7-174.3-176.300111.1F165 E166F165-E344 WeakPolarHBondContact CA-O 3.28Å; E166-E344 HydrophobicContact CG-CB 4.21Å; E166-E344 PolarHBondContact N-O 3.33Å
345I89.3Confident84.6Confident28 Ų2854 Ų5414%0.14432%0.317CS..EExtended strand (participates in β ladder)trans-101.8120.6-175.1-62.6172.1000107.7I163 F165 E332 F335 Q336 G343 F348I163-I345 HydrophobicContact CG2-CD1 4.08Å; I163-I345 HydrophobicContact CG2-CG1 4.01Å; I163-I345 HydrophobicContact CG2-CG2 3.91Å; F165-I345 HydrophobicContact CD1-CG1 4.05Å; F165-I345 HydrophobicContact CE1-CG1 3.93Å; E332-I345 HydrophobicContact CG-CD1 3.73Å; F335-I345 HydrophobicContact CB-CD1 4.3Å; Q336-I345 HydrophobicContact CB-CD1 4.4Å; G343-I345 PolarHBondContact O-N 3.44Å; I345-F348 HydrophobicContact CG2-CB 4.2Å
346E88.2Confident84.3Confident99 Ų9963.4 Ų63.446%0.46336%0.361SS..EExtended strand (participates in β ladder)trans-79.7-41.7175.7-173.9-176.9160.500110.6T164 E166 R311T164-E346 HydrophobicContact CG2-CB 4.33Å; T164-E346 PolarHBondContact O-N 3.31Å; E166-E346 HydrophobicContact CG-CB 4.1Å; R311-E346 IonicContact CZ-OE2 3.61Å; R311-E346 IonicContact NH1-OE2 3.89Å; R311-E346 PolarHBondContact NH1-OE2 3.02Å; R311-E346 IonicContact NH2-OE2 3.65Å; R311-E346 PolarHBondContact NH2-OE2 3.42Å
347A88.7Confident84.2Confident51 Ų5159.9 Ų59.942%0.42135%0.346SS..EExtended strand (participates in β ladder)trans-150.5142.4179.100000112T164T164-A347 PolarHBondContact N-O 3.5Å; T164-A347 PolarHBondContact O-N 3.41Å
348F90.3Very high84.3Confident29 Ų2959.4 Ų59.413%0.12735%0.349CS..EExtended strand (participates in β ladder)trans-131.7133.2176.3-173.2-81.8000110.3A161 L162 I163 Q328 L331 E332 I345A161-F348 HydrophobicContact CB-CE1 4.47Å; A161-F348 HydrophobicContact CB-CE2 4.46Å; A161-F348 HydrophobicContact CB-CZ 3.94Å; L162-F348 WeakPolarHBondContact O-CA 3.14Å; I163-F348 HydrophobicContact CB-CD2 4.4Å; I163-F348 HydrophobicContact CD1-CD2 3.9Å; I163-F348 HydrophobicContact CD1-CE2 3.6Å; I163-F348 HydrophobicContact CG1-CD2 3.61Å; I163-F348 HydrophobicContact CG1-CE2 3.62Å; I163-F348 HydrophobicContact CG2-CD2 4.32Å; Q328-F348 HydrophobicContact CB-CE1 4.02Å; Q328-F348 HydrophobicContact CG-CD1 3.67Å; Q328-F348 HydrophobicContact CG-CE1 3.53Å; L331-F348 HydrophobicContact CB-CE2 3.97Å; L331-F348 HydrophobicContact CB-CZ 3.67Å; L331-F348 HydrophobicContact CD1-CZ 4.07Å; E332-F348 HydrophobicContact CB-CD2 4.44Å; I345-F348 HydrophobicContact CG2-CB 4.2Å
349L91.1Very high84.9Confident53 Ų5353.4 Ų53.428%0.27732%0.318SS..EExtended strand (participates in β ladder)trans-138.1118.5178-177.562.7000110.4M156 A161 L162 T357 A359M156-L349 WeakPolarHBondContact CE-O 3.35Å; M156-L349 HydrophobicContact SD-CD2 3.58Å; M156-L349 VanDerWaalsContact SD-CD2 3.58Å; M156-L349 HydrophobicContact SD-CG 3.82Å; A161-L349 CarbonylContact C-O 3.55Å; A161-L349 VanDerWaalsContact CA-O 3.24Å; A161-L349 WeakPolarHBondContact CA-O 3.47Å; L162-L349 HydrophobicContact CB-CB 4.48Å; L162-L349 PolarHBondContact N-O 2.65Å; L162-L349 PolarHBondContact O-N 3.19Å; L349-T357 HydrophobicContact CD1-CG2 4.07Å; L349-T357 HydrophobicContact CD2-CG2 4.09Å; L349-T357 HydrophobicContact CG-CG2 4.19Å; L349-A359 HydrophobicContact CD2-CB 3.66Å
350Y89.4Confident85.5Confident2 Ų256 Ų561%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-109.6132.7177.5170.5-128.5000112T160 A161 I318 R324 M327 P352T160-Y350 WeakPolarHBondContact O-CD2 3.4Å; A161-Y350 HydrophobicContact CB-CD2 4.08Å; I318-Y350 HydrophobicContact CB-CE2 4.12Å; I318-Y350 HydrophobicContact CD1-CD2 4.01Å; I318-Y350 HydrophobicContact CD1-CE2 3.93Å; I318-Y350 HydrophobicContact CG2-CE2 3.65Å; R324-Y350 HydrophobicContact CG-CD1 4.05Å; R324-Y350 HydrophobicContact CG-CE1 4.34Å; M327-Y350 HydrophobicContact CB-CD1 4.46Å; M327-Y350 HydrophobicContact CB-CE1 3.91Å; M327-Y350 HydrophobicContact CG-CE1 4.44Å; Y350-P352 HydrophobicContact CD1-CG 4.22Å; Y350-P352 HydrophobicContact CE1-CB 4.26Å; Y350-P352 HydrophobicContact CE1-CG 3.89Å
351N90.2Very high85.8Confident0 Ų055.1 Ų55.10%031%0.307CS..EExtended strand (participates in β ladder)trans-106.9105.5172.2-171.637.4000110.9M156 E157 G159 T160 Q355 T357M156-N351 HydrophobicContact CB-CB 4.02Å; M156-N351 HydrophobicContact CE-CB 4.03Å; M156-N351 PolarHBondContact O-ND2 3.16Å; M156-N351 HydrophobicContact SD-CB 4.44Å; E157-N351 VanDerWaalsContact C-ND2 3.29Å; E157-N351 PolarHBondContact O-ND2 3.17Å; G159-N351 WeakPolarHBondContact CA-O 3.44Å; G159-N351 PolarHBondContact N-O 2.69Å; T160-N351 PolarHBondContact N-O 3.02Å; T160-N351 PolarHBondContact O-N 3.38Å; N351-Q355 PolarHBondContact ND2-O 3.5Å; N351-Q355 VanDerWaalsContact ND2-O 3.13Å; N351-Q355 PolarHBondContact OD1-O 2.92Å; N351-T357 VanDerWaalsContact OD1-CB 3.29Å; N351-T357 WeakPolarHBondContact OD1-CB 3.16Å; N351-T357 PolarHBondContact OD1-N 3.47Å; N351-T357 PolarHBondContact OD1-OG1 3.46Å
352P85.8Confident85.8Confident11 Ų1157 Ų577%0.07133%0.326CS..  trans-63.5163.5177.1-20.332.1000113.6R324 Y350 Q355R324-P352 HydrophobicContact CB-CG 4.4Å; R324-P352 HydrophobicContact CG-CG 3.99Å; Y350-P352 HydrophobicContact CD1-CG 4.22Å; Y350-P352 HydrophobicContact CE1-CB 4.26Å; Y350-P352 HydrophobicContact CE1-CG 3.89Å; P352-Q355 PolarHBondContact O-N 3.38Å
353V84.6Confident85Confident60 Ų6059.7 Ų59.736%0.36434%0.344SS..THydrogen-bonded Turntrans-64135.6174-174.30000110E158 D320 Q355E158-V353 HydrophobicContact CG-CG1 4.45Å; D320-V353 HydrophobicContact CB-CB 4.03Å; D320-V353 HydrophobicContact CB-CG2 3.92Å; V353-Q355 VanDerWaalsContact C-N 3.34Å; V353-Q355 PolarHBondContact O-N 3.03Å
354G79.3Confident83.4Confident65 Ų6562.9 Ų62.967%0.6737%0.369SS*.THydrogen-bonded Turntrans797.5-177.900000115.8E158E158-G354 PolarHBondContact OE2-N 3.13Å
355Q81.3Confident81.4Confident98 Ų9858 Ų5846%0.45835%0.352SS..  trans-115.9154.2173.4-64.9-169-0.600112.3N351 P352 V353N351-Q355 PolarHBondContact ND2-O 3.5Å; N351-Q355 VanDerWaalsContact ND2-O 3.13Å; N351-Q355 PolarHBondContact OD1-O 2.92Å; P352-Q355 PolarHBondContact O-N 3.38Å; V353-Q355 VanDerWaalsContact C-N 3.34Å; V353-Q355 PolarHBondContact O-N 3.03Å
356Q80.9Confident79Confident198 Ų19862.4 Ų62.493%0.92538%0.382SS*.  trans-111.7115.5171.9-73.8-172.5-23.500109.3
357T86.4Confident76.6Confident28 Ų2864.9 Ų64.917%0.17239%0.393CS..EExtended strand (participates in β ladder)trans-118.1142.5177.6-58.50000109.8M156 L349 N351M156-T357 WeakPolarHBondContact CB-O 3.1Å; M156-T357 PolarHBondContact N-O 3.42Å; M156-T357 HydrophobicContact SD-CG2 4.14Å; L349-T357 HydrophobicContact CD1-CG2 4.07Å; L349-T357 HydrophobicContact CD2-CG2 4.09Å; L349-T357 HydrophobicContact CG-CG2 4.19Å; N351-T357 VanDerWaalsContact OD1-CB 3.29Å; N351-T357 WeakPolarHBondContact OD1-CB 3.16Å; N351-T357 PolarHBondContact OD1-N 3.47Å; N351-T357 PolarHBondContact OD1-OG1 3.46Å
358L87.7Confident74.2Confident109 Ų10968.5 Ų68.557%0.57141%0.413SS*.EExtended strand (participates in β ladder)trans-114.4124.8174.9-64.8176.1000108.6P155P155-L358 HydrophobicContact CB-CD2 4.06Å
359A86.8Confident71.9Confident5 Ų570.1 Ų70.14%0.04144%0.437CS..EExtended strand (participates in β ladder)trans-88.2139.5170.900000109.9Y154 M156 L162 L349 F361Y154-A359 PolarHBondContact N-O 3.04Å; Y154-A359 PolarHBondContact O-N 3.34Å; M156-A359 HydrophobicContact CG-CB 4.33Å; M156-A359 HydrophobicContact SD-CB 4.16Å; L162-A359 HydrophobicContact CD1-CB 3.39Å; L349-A359 HydrophobicContact CD2-CB 3.66Å; A359-F361 HydrophobicContact CB-CD2 4.47Å; A359-F361 HydrophobicContact CB-CE2 3.95Å
360L85.7Confident69.2Low127 Ų12776.4 Ų76.467%0.66547%0.465SS*.EExtended strand (participates in β ladder)trans-108.2115.9176.2-64.1177.3000108.8R153R153-L360 HydrophobicContact CB-CD2 4.43Å; R153-L360 HydrophobicContact CG-CD2 3.68Å
361F83.3Confident66.5Low34 Ų3485 Ų8515%0.14951%0.506CS..EExtended strand (participates in β ladder)trans-97.7121.5173.8-71.1-94.6000109.1H151 I152 Y154 L162 V197 L199 T312 A359H151-F361 CarbonylContact C-O 3.58Å; H151-F361 WeakPolarHBondContact CA-O 3.24Å; I152-F361 HydrophobicContact CB-CB 4.28Å; I152-F361 PolarHBondContact N-O 3.09Å; I152-F361 PolarHBondContact O-N 3.09Å; Y154-F361 HydrophobicContact CD1-CE2 4.38Å; Y154-F361 AromaticContact CG-CE2 3.96Å; Y154-F361 HydrophobicContact CG-CE2 3.96Å; L162-F361 HydrophobicContact CD1-CE2 4.17Å; L162-F361 HydrophobicContact CD1-CZ 4.05Å; L162-F361 HydrophobicContact CD2-CZ 4.37Å; V197-F361 HydrophobicContact CG1-CZ 4.06Å; L199-F361 HydrophobicContact CD1-CB 3.87Å; L199-F361 HydrophobicContact CD1-CD1 3.79Å; L199-F361 HydrophobicContact CD1-CD2 4.11Å; L199-F361 HydrophobicContact CD1-CE1 4.34Å; L199-F361 HydrophobicContact CD1-CG 3.65Å; L199-F361 HydrophobicContact CD2-CD2 3.99Å; L199-F361 HydrophobicContact CD2-CE2 4.06Å; L199-F361 HydrophobicContact CD2-CG 4.39Å; T312-F361 HydrophobicContact CG2-CE1 3.95Å; T312-F361 HydrophobicContact CG2-CZ 4.13Å; A359-F361 HydrophobicContact CB-CD2 4.47Å; A359-F361 HydrophobicContact CB-CE2 3.95Å
362G77.1Confident63.8Low53 Ų5393.6 Ų93.655%0.54655%0.546SS..  trans-114.4159.4173.700000111.6A364G362-A364 PolarHBondContact O-N 2.88Å
363S64.1Low61.3Low65 Ų65102.5 Ų102.546%0.45559%0.586SS.*  trans-70.9125.6173.7-170.50000110.3A365S363-A365 PolarHBondContact O-N 3.5Å
364A54.3Low58.8Low75 Ų75111.9 Ų111.962%0.6263%0.626SS**  trans-78.162171.900000110.1G362G362-A364 PolarHBondContact O-N 2.88Å
365A45.7Very low57.8Low29 Ų29114.3 Ų114.324%0.2462%0.624CS.*PPolyproline II helixtrans-88.1131.6165.900000107.8S363 E367S363-A365 PolarHBondContact O-N 3.5Å; A365-E367 PolarHBondContact O-N 3.47Å
366P39.1Very low56.6Low119 Ų119115.1 Ų115.177%0.77363%0.633SS**PPolyproline II helixtrans-58.7127.3172.323.6-30.5000108.7P368P366-P368 VanDerWaalsContact O-CD 3.27Å; P366-P368 WeakPolarHBondContact O-CD 3.35Å
367E37.1Very low55.2Low151 Ų151110.5 Ų110.571%0.70662%0.617SS**PPolyproline II helixtrans-56119.2168.3-73.8-80.6132.800107.9A365 G369A365-E367 PolarHBondContact O-N 3.47Å; E367-G369 PolarHBondContact O-N 3.39Å
368P39.3Very low53.4Low128 Ų128115.4 Ų115.483%0.83164%0.643SS**SBendtrans-75.794.2172.129.1-29.1000108.4P366P366-P368 VanDerWaalsContact O-CD 3.27Å; P366-P368 WeakPolarHBondContact O-CD 3.35Å
369G41.4Very low51.2Low62 Ų62115.8 Ų115.864%0.63965%0.647SS**  trans122.866.1162.700000115.7E367E367-G369 PolarHBondContact O-N 3.39Å
370E33.1Very low48.9Very low186 Ų186123.1 Ų123.187%0.86969%0.688SS**  trans-97.484.7134.8-69.5-172.3176.500105.7E372E370-E372 PolarHBondContact O-N 2.7Å; E370-E372 VanDerWaalsContact O-N 3.14Å
371E33.7Very low46.2Very low183 Ų183122.9 Ų122.986%0.85569%0.689SS**  trans-61.8112.1160-75.3-177.5170.900105.9E373E371-E373 PolarHBondContact O-N 2.86Å
372E33.4Very low43.4Very low179 Ų179129.7 Ų129.784%0.83673%0.731SS**  trans-52108.6166.6-67.8176.5155.400108.1E370 E374E370-E372 PolarHBondContact O-N 2.7Å; E370-E372 VanDerWaalsContact O-N 3.14Å; E372-E374 VanDerWaalsContact C-N 3.34Å; E372-E374 PolarHBondContact O-N 2.92Å; E372-E374 VanDerWaalsContact O-N 3.08Å
373E33.8Very low40.6Very low199 Ų199136.1 Ų136.193%0.9375%0.746SS**  trans-69.695.6161.6-73.4-172.4165.500107.5E371E371-E373 PolarHBondContact O-N 2.86Å
374E32.2Very low38.5Very low257 Ų257142.5 Ų142.5100%1.20177%0.773SS**  trans-790154.8-84.6-163.1155.900111.9E372E372-E374 VanDerWaalsContact C-N 3.34Å; E372-E374 PolarHBondContact O-N 2.92Å; E372-E374 VanDerWaalsContact O-N 3.08Å

Retrieved 374 of 374 residues in 108.5 ms (Link to these results)