A0A3Q0KDZ7_SCHMA Loading...

NAChR subunit (ShAR1-alpha-like)

AlphaFold DB , UniProt , Accession A0A3Q0KDZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 695 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
1M71.2Confident83.4Confident195 Ų195123.7 Ų123.796%0.96162%0.619SS**  0-64.70-146.9176.4106.700112.2I3 L4 V5M1-I3 PolarHBondContact O-N 3.15Å; M1-I3 VanDerWaalsContact O-N 3.12Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-V5 PolarHBondContact O-N 3.37Å
2Y80Confident83.9Confident208 Ų208123.3 Ų123.382%0.81661%0.611SS**Hα-helixtrans-45.6-45-173.8-65.5-79.5000116.6L4 V5 L6Y2-L4 VanDerWaalsContact C-N 3.27Å; Y2-L4 PolarHBondContact O-N 3.44Å; Y2-V5 PolarHBondContact O-N 2.79Å; Y2-V5 VanDerWaalsContact O-N 3.15Å; Y2-L6 PolarHBondContact O-N 3.24Å
3I82.2Confident84.2Confident134 Ų134121.5 Ų121.569%0.68760%0.604SS**Hα-helixtrans-58.8-38.1178.3-64.9167.1000112M1 L6 L7M1-I3 PolarHBondContact O-N 3.15Å; M1-I3 VanDerWaalsContact O-N 3.12Å; I3-L6 PolarHBondContact O-N 3.05Å; I3-L7 HydrophobicContact CG2-CD1 4.07Å; I3-L7 WeakPolarHBondContact O-CG 3.18Å; I3-L7 PolarHBondContact O-N 3Å
4L80.2Confident84.5Confident140 Ų140122.2 Ų122.273%0.73360%0.602SS**Hα-helixtrans-68.1-39.1178.8-144.287.2000111.4M1 Y2 L7 F8M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.22Å; Y2-L4 VanDerWaalsContact C-N 3.27Å; Y2-L4 PolarHBondContact O-N 3.44Å; L4-L7 PolarHBondContact O-N 3.23Å; L4-F8 WeakPolarHBondContact O-CB 3.48Å; L4-F8 PolarHBondContact O-N 3.46Å
5V84.5Confident84.7Confident70 Ų70119.9 Ų119.942%0.42459%0.592SS.*Hα-helixtrans-66-42.4175.3-178.70000110.5M1 Y2 F8 L9M1-V5 PolarHBondContact O-N 3.37Å; Y2-V5 PolarHBondContact O-N 2.79Å; Y2-V5 VanDerWaalsContact O-N 3.15Å; V5-F8 PolarHBondContact O-N 2.97Å; V5-L9 HydrophobicContact CG1-CD1 4.09Å; V5-L9 HydrophobicContact CG1-CG 4.49Å; V5-L9 WeakPolarHBondContact O-CG 3.44Å; V5-L9 PolarHBondContact O-N 2.95Å
6L83.8Confident84.8Confident106 Ų106116.6 Ų116.656%0.55558%0.576SS**Hα-helixtrans-63.5-43.3177-172.267.1000111.8Y2 I3 F8 L9 L10Y2-L6 PolarHBondContact O-N 3.24Å; I3-L6 PolarHBondContact O-N 3.05Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 3.5Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-L10 HydrophobicContact CG-CD1 4.16Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.4Å
7L85.1Confident84.9Confident106 Ų106114.5 Ų114.556%0.55557%0.567SS**Hα-helixtrans-62.9-38.8174.8-74.3168.8000112.4I3 L4 L10 S11I3-L7 HydrophobicContact CG2-CD1 4.07Å; I3-L7 WeakPolarHBondContact O-CG 3.18Å; I3-L7 PolarHBondContact O-N 3Å; L4-L7 PolarHBondContact O-N 3.23Å; L7-L10 PolarHBondContact O-N 3.1Å; L7-S11 PolarHBondContact O-N 3.44Å
8F87.9Confident84.9Confident146 Ų146111.8 Ų111.864%0.6455%0.554SS**Hα-helixtrans-68.6-39.8176.3-162.9-88.4000112.2L4 V5 L6 S11 F12L4-F8 WeakPolarHBondContact O-CB 3.48Å; L4-F8 PolarHBondContact O-N 3.46Å; V5-F8 PolarHBondContact O-N 2.97Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-F8 PolarHBondContact O-N 3.5Å; F8-S11 PolarHBondContact O-N 3.23Å; F8-S11 PolarHBondContact O-OG 3.07Å; F8-F12 VanDerWaalsContact O-CB 3.3Å; F8-F12 WeakPolarHBondContact O-CB 3.45Å; F8-F12 PolarHBondContact O-N 3.49Å
9L87.5Confident84.7Confident106 Ų106111.6 Ų111.656%0.55555%0.554SS**Hα-helixtrans-65.1-39.9173.5-72.2170000111.9V5 L6 F12 L13V5-L9 HydrophobicContact CG1-CD1 4.09Å; V5-L9 HydrophobicContact CG1-CG 4.49Å; V5-L9 WeakPolarHBondContact O-CG 3.44Å; V5-L9 PolarHBondContact O-N 2.95Å; L6-L9 PolarHBondContact O-N 3.41Å; L9-F12 PolarHBondContact O-N 3.28Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 PolarHBondContact O-N 3.08Å
10L88.2Confident84.5Confident95 Ų95111.4 Ų111.450%0.49756%0.555SS.*Hα-helixtrans-67.1-41176.1-74.2168.4000112.2L6 L7 L13 F14L6-L10 HydrophobicContact CG-CD1 4.16Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.4Å; L7-L10 PolarHBondContact O-N 3.1Å; L10-L13 PolarHBondContact O-N 3.42Å; L10-F14 WeakPolarHBondContact O-CB 3.09Å; L10-F14 PolarHBondContact O-N 3.46Å
11S87.2Confident84.3Confident55 Ų55112 Ų11239%0.38556%0.559SS.*Hα-helixtrans-68.4-38.1175.676.90000111.8L7 F8 F14 I15L7-S11 PolarHBondContact O-N 3.44Å; F8-S11 PolarHBondContact O-N 3.23Å; F8-S11 PolarHBondContact O-OG 3.07Å; S11-F14 PolarHBondContact O-N 3.05Å; S11-I15 WeakPolarHBondContact O-CB 3.27Å; S11-I15 VanDerWaalsContact O-CG1 3.24Å; S11-I15 WeakPolarHBondContact O-CG1 3.47Å; S11-I15 PolarHBondContact O-N 3.16Å
12F89.1Confident84.4Confident119 Ų119108 Ų10852%0.52254%0.537SS..Hα-helixtrans-64.1-42.5174.6-165.9-106.2000112F8 L9 I15 I16F8-F12 VanDerWaalsContact O-CB 3.3Å; F8-F12 WeakPolarHBondContact O-CB 3.45Å; F8-F12 PolarHBondContact O-N 3.49Å; L9-F12 PolarHBondContact O-N 3.28Å; F12-I15 PolarHBondContact O-N 3.34Å; F12-I16 HydrophobicContact CD1-CD1 3.74Å; F12-I16 HydrophobicContact CE1-CD1 3.56Å; F12-I16 HydrophobicContact CZ-CD1 4.28Å; F12-I16 WeakPolarHBondContact O-CG1 3.39Å; F12-I16 PolarHBondContact O-N 3.44Å
13L88Confident84Confident100 Ų100103.1 Ų103.152%0.52452%0.519SS..Hα-helixtrans-62.8-42.6173.8-163.784000111.7L9 L10 I16 I17L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 PolarHBondContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.42Å; L13-I16 PolarHBondContact O-N 3.05Å; L13-I17 HydrophobicContact CD2-CD1 4.3Å; L13-I17 HydrophobicContact CG-CD1 4.17Å; L13-I17 VanDerWaalsContact O-CG1 3.31Å; L13-I17 WeakPolarHBondContact O-CG1 3.28Å; L13-I17 PolarHBondContact O-N 3.14Å
14F88.4Confident83.2Confident131 Ų131101.9 Ų101.958%0.57551%0.514SS*.Hα-helixtrans-64.1-40.6177-175.7-109000112.2L10 S11 I17 I18L10-F14 WeakPolarHBondContact O-CB 3.09Å; L10-F14 PolarHBondContact O-N 3.46Å; S11-F14 PolarHBondContact O-N 3.05Å; F14-I17 PolarHBondContact O-N 3.42Å; F14-I18 HydrophobicContact CD1-CD1 3.85Å; F14-I18 HydrophobicContact CE1-CD1 3.43Å; F14-I18 VanDerWaalsContact CE1-CD1 3.43Å; F14-I18 HydrophobicContact CE1-CG1 4.43Å; F14-I18 HydrophobicContact CZ-CD1 3.81Å; F14-I18 WeakPolarHBondContact O-CG1 3.41Å; F14-I18 PolarHBondContact O-N 3.33Å
15I86.7Confident82.5Confident88 Ų88100.5 Ų100.545%0.45151%0.506SS..Hα-helixtrans-63.2-42.1173.3-70.3165.4000110.9S11 F12 I18 I19S11-I15 WeakPolarHBondContact O-CB 3.27Å; S11-I15 VanDerWaalsContact O-CG1 3.24Å; S11-I15 WeakPolarHBondContact O-CG1 3.47Å; S11-I15 PolarHBondContact O-N 3.16Å; F12-I15 PolarHBondContact O-N 3.34Å; I15-I18 PolarHBondContact O-N 3.22Å; I15-I19 HydrophobicContact CG2-CD1 3.76Å; I15-I19 HydrophobicContact CG2-CG1 4.46Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.16Å; I15-I19 PolarHBondContact O-N 2.78Å
16I86.3Confident81.4Confident67 Ų67102.1 Ų102.134%0.34452%0.516SS..Hα-helixtrans-62.3-44.5174.4-72.6168.5000111.2F12 L13 I18 I19 L20F12-I16 HydrophobicContact CD1-CD1 3.74Å; F12-I16 HydrophobicContact CE1-CD1 3.56Å; F12-I16 HydrophobicContact CZ-CD1 4.28Å; F12-I16 WeakPolarHBondContact O-CG1 3.39Å; F12-I16 PolarHBondContact O-N 3.44Å; L13-I16 PolarHBondContact O-N 3.05Å; I16-I18 VanDerWaalsContact C-N 3.34Å; I16-I18 PolarHBondContact O-N 3.02Å; I16-I19 PolarHBondContact O-N 2.61Å; I16-L20 HydrophobicContact CG2-CD1 3.89Å; I16-L20 HydrophobicContact CG2-CG 4.38Å; I16-L20 WeakPolarHBondContact O-CB 3.24Å; I16-L20 WeakPolarHBondContact O-CG 3.44Å; I16-L20 PolarHBondContact O-N 3.17Å
17I86.6Confident80.3Confident81 Ų81101.5 Ų101.542%0.41551%0.507SS..Hα-helixtrans-61.9-42177.4-70.2163.9000110.8L13 F14 L20 L21L13-I17 HydrophobicContact CD2-CD1 4.3Å; L13-I17 HydrophobicContact CG-CD1 4.17Å; L13-I17 VanDerWaalsContact O-CG1 3.31Å; L13-I17 WeakPolarHBondContact O-CG1 3.28Å; L13-I17 PolarHBondContact O-N 3.14Å; F14-I17 PolarHBondContact O-N 3.42Å; I17-L20 PolarHBondContact O-N 3.15Å; I17-L21 HydrophobicContact CG2-CD1 3.85Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 WeakPolarHBondContact O-CB 3.36Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.38Å; I17-L21 PolarHBondContact O-N 2.74Å
18I84.5Confident78.9Confident65 Ų65101 Ų10133%0.33351%0.512SS..Hα-helixtrans-60-50.2172.3-76.2175.3000110.8F14 I15 I16 L20 L21 F22F14-I18 HydrophobicContact CD1-CD1 3.85Å; F14-I18 HydrophobicContact CE1-CD1 3.43Å; F14-I18 VanDerWaalsContact CE1-CD1 3.43Å; F14-I18 HydrophobicContact CE1-CG1 4.43Å; F14-I18 HydrophobicContact CZ-CD1 3.81Å; F14-I18 WeakPolarHBondContact O-CG1 3.41Å; F14-I18 PolarHBondContact O-N 3.33Å; I15-I18 PolarHBondContact O-N 3.22Å; I16-I18 VanDerWaalsContact C-N 3.34Å; I16-I18 PolarHBondContact O-N 3.02Å; I18-L20 VanDerWaalsContact C-N 3.25Å; I18-L20 PolarHBondContact O-N 3.04Å; I18-L21 PolarHBondContact O-N 3.03Å; I18-F22 HydrophobicContact CG2-CD2 3.8Å; I18-F22 HydrophobicContact CG2-CE2 4.16Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 WeakPolarHBondContact O-CD2 3.43Å; I18-F22 PolarHBondContact O-N 2.96Å
19I81.7Confident77.9Confident109 Ų10997.7 Ų97.756%0.55952%0.519SS*.Hα-helixtrans-60.3-36.4179.9-70.2165.9000111.5I15 I16 K23I15-I19 HydrophobicContact CG2-CD1 3.76Å; I15-I19 HydrophobicContact CG2-CG1 4.46Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.16Å; I15-I19 PolarHBondContact O-N 2.78Å; I16-I19 PolarHBondContact O-N 2.61Å; I19-K23 WeakPolarHBondContact O-CB 3.48Å; I19-K23 PolarHBondContact O-N 3.38Å
20L81.6Confident77.6Confident107 Ų10795.9 Ų95.956%0.5651%0.509SS*.Hα-helixtrans-70.5-42.8175.4-70.3171.4000112.5I16 I17 I18 K23I16-L20 HydrophobicContact CG2-CD1 3.89Å; I16-L20 HydrophobicContact CG2-CG 4.38Å; I16-L20 WeakPolarHBondContact O-CB 3.24Å; I16-L20 WeakPolarHBondContact O-CG 3.44Å; I16-L20 PolarHBondContact O-N 3.17Å; I17-L20 PolarHBondContact O-N 3.15Å; I18-L20 VanDerWaalsContact C-N 3.25Å; I18-L20 PolarHBondContact O-N 3.04Å; L20-K23 VanDerWaalsContact O-CB 3.24Å; L20-K23 WeakPolarHBondContact O-CB 3.32Å; L20-K23 PolarHBondContact O-N 3.42Å
21L79.9Confident77.5Confident123 Ų12394.8 Ų94.864%0.64450%0.499SS*.Hα-helixtrans-67.1-37.3177.2-72.5169.4000112.8I17 I18 K23I17-L21 HydrophobicContact CG2-CD1 3.85Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 WeakPolarHBondContact O-CB 3.36Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.38Å; I17-L21 PolarHBondContact O-N 2.74Å; I18-L21 PolarHBondContact O-N 3.03Å; L21-K23 VanDerWaalsContact C-N 3.33Å
22F73.7Confident77.6Confident113 Ų11397.1 Ų97.150%0.49650%0.504SS..Hα-helixtrans-83.5-6.3176.5-79.3-87.5000113.5I18 D24 I25 V26I18-F22 HydrophobicContact CG2-CD2 3.8Å; I18-F22 HydrophobicContact CG2-CE2 4.16Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 WeakPolarHBondContact O-CD2 3.43Å; I18-F22 PolarHBondContact O-N 2.96Å; F22-D24 PolarHBondContact O-N 2.88Å; F22-I25 HydrophobicContact CD1-CB 4.35Å; F22-I25 HydrophobicContact CD1-CD1 3.69Å; F22-I25 HydrophobicContact CD1-CG2 4.42Å; F22-I25 HydrophobicContact CE1-CD1 3.94Å; F22-I25 HydrophobicContact CG-CD1 4.41Å; F22-I25 WeakPolarHBondContact O-CB 3.24Å; F22-I25 PolarHBondContact O-N 3.42Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 2.93Å
23K71.2Confident77.6Confident104 Ų10498.9 Ų98.945%0.45251%0.511SS..Hα-helixtrans-55.4-48.7-178.8-175.7-178.5173.8-170.80112.1I19 L20 L21 I25 V26 Y27I19-K23 WeakPolarHBondContact O-CB 3.48Å; I19-K23 PolarHBondContact O-N 3.38Å; L20-K23 VanDerWaalsContact O-CB 3.24Å; L20-K23 WeakPolarHBondContact O-CB 3.32Å; L20-K23 PolarHBondContact O-N 3.42Å; L21-K23 VanDerWaalsContact C-N 3.33Å; K23-I25 VanDerWaalsContact C-N 3.32Å; K23-I25 PolarHBondContact O-N 3.44Å; K23-V26 PolarHBondContact O-N 3.47Å; K23-Y27 HydrophobicContact CD-CE2 4.44Å; K23-Y27 HydrophobicContact CG-CD2 4.07Å; K23-Y27 HydrophobicContact CG-CE2 3.72Å; K23-Y27 WeakPolarHBondContact O-CD2 3.45Å; K23-Y27 PolarHBondContact O-N 3.38Å
24D65.4Low77.7Confident109 Ų109100 Ų10058%0.58351%0.509SS*.Hα-helixtrans-72.6-30.1-177.1-60-29.6000111.6F22 Y27 C28F22-D24 PolarHBondContact O-N 2.88Å; D24-Y27 PolarHBondContact O-N 3.49Å; D24-C28 PolarHBondContact O-N 2.93Å
25I64.8Low77.9Confident110 Ų11093.8 Ų93.856%0.56448%0.481SS*.Hα-helixtrans-64.6-41171.1-60174.2000110.5F22 K23 Y27 C28F22-I25 HydrophobicContact CD1-CB 4.35Å; F22-I25 HydrophobicContact CD1-CD1 3.69Å; F22-I25 HydrophobicContact CD1-CG2 4.42Å; F22-I25 HydrophobicContact CE1-CD1 3.94Å; F22-I25 HydrophobicContact CG-CD1 4.41Å; F22-I25 WeakPolarHBondContact O-CB 3.24Å; F22-I25 PolarHBondContact O-N 3.42Å; K23-I25 VanDerWaalsContact C-N 3.32Å; K23-I25 PolarHBondContact O-N 3.44Å; I25-Y27 VanDerWaalsContact C-N 3.28Å; I25-Y27 PolarHBondContact O-N 3.48Å; I25-C28 WeakPolarHBondContact O-CB 3.49Å; I25-C28 PolarHBondContact O-N 3.07Å
26V61.2Low78.1Confident104 Ų10492.3 Ų92.363%0.6347%0.474SS*.Hα-helixtrans-65.9-28176.3169.90000112.4F22 K23F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 2.93Å; K23-V26 PolarHBondContact O-N 3.47Å
27Y62.2Low78.3Confident93 Ų9396.2 Ų96.237%0.36549%0.488SS..Hα-helixtrans-85.4-6.6174.6-72-63.1000114.9K23 D24 I25 G29 L30 Y31K23-Y27 HydrophobicContact CD-CE2 4.44Å; K23-Y27 HydrophobicContact CG-CD2 4.07Å; K23-Y27 HydrophobicContact CG-CE2 3.72Å; K23-Y27 WeakPolarHBondContact O-CD2 3.45Å; K23-Y27 PolarHBondContact O-N 3.38Å; D24-Y27 PolarHBondContact O-N 3.49Å; I25-Y27 VanDerWaalsContact C-N 3.28Å; I25-Y27 PolarHBondContact O-N 3.48Å; Y27-G29 PolarHBondContact O-N 3.03Å; Y27-L30 HydrophobicContact CD1-CB 4.44Å; Y27-L30 HydrophobicContact CD1-CD1 3.93Å; Y27-L30 HydrophobicContact CE1-CD1 4.43Å; Y27-L30 PolarHBondContact O-N 3.3Å; Y27-Y31 WeakPolarHBondContact O-CE2 3.37Å
28C55.4Low78.5Confident97 Ų9797.1 Ų97.166%0.65549%0.487SS*.THydrogen-bonded Turntrans-62.1-13.2-168.8-163.20000115.5D24 I25D24-C28 PolarHBondContact O-N 2.93Å; I25-C28 WeakPolarHBondContact O-CB 3.49Å; I25-C28 PolarHBondContact O-N 3.07Å
29G65.4Low78.8Confident76 Ų7694.1 Ų94.178%0.78447%0.472SS*.THydrogen-bonded Turntrans-114.810.7173.200000115.7Y27Y27-G29 PolarHBondContact O-N 3.03Å
30L81.2Confident79.3Confident68 Ų6892.7 Ų92.736%0.35646%0.462SS..  trans-107.2-8.2-169.4-89.2158.9000115.3Y27 K33 R34Y27-L30 HydrophobicContact CD1-CB 4.44Å; Y27-L30 HydrophobicContact CD1-CD1 3.93Å; Y27-L30 HydrophobicContact CE1-CD1 4.43Å; Y27-L30 PolarHBondContact O-N 3.3Å; L30-K33 HydrophobicContact CD2-CD 4.4Å; L30-R34 WeakPolarHBondContact O-CB 3.38Å; L30-R34 VanDerWaalsContact O-CG 3.29Å; L30-R34 WeakPolarHBondContact O-CG 3.39Å; L30-R34 PolarHBondContact O-N 3.05Å
31Y87.8Confident79.7Confident71 Ų7190 Ų9028%0.27845%0.448SS..Hα-helixtrans-65.1-51.4-173-64.5-75.8000113.5Y27 K33 R34 L35Y27-Y31 WeakPolarHBondContact O-CE2 3.37Å; Y31-K33 PolarHBondContact O-N 2.92Å; Y31-R34 WeakPolarHBondContact O-CB 3.43Å; Y31-R34 PolarHBondContact O-N 2.97Å; Y31-R34 VanDerWaalsContact O-N 3.12Å; Y31-L35 PolarHBondContact O-N 2.64Å
32E88.9Confident80.1Confident104 Ų10489.5 Ų89.549%0.48646%0.455SS..Hα-helixtrans-63.2-41.8179.1-167.7-176.9169.900111.7R34 L35 L36 I108 L111E32-R34 VanDerWaalsContact C-N 3.26Å; E32-R34 PolarHBondContact O-N 2.98Å; E32-L35 WeakPolarHBondContact O-CB 3.5Å; E32-L35 PolarHBondContact O-N 3.09Å; E32-L35 VanDerWaalsContact O-N 3.13Å; E32-L36 HydrophobicContact CG-CD1 4.19Å; E32-L36 WeakPolarHBondContact O-CB 3.22Å; E32-L36 WeakPolarHBondContact O-CG 3.39Å; E32-L36 PolarHBondContact O-N 3.47Å; E32-I108 HydrophobicContact CB-CD1 3.75Å; E32-I108 HydrophobicContact CG-CD1 4.38Å; E32-L111 HydrophobicContact CG-CD1 3.89Å
33K89.1Confident80.7Confident156 Ų15689 Ų8968%0.67847%0.465SS*.Hα-helixtrans-62.2-31.9174.9-173.9170.6-177.6172.60112.8L30 Y31 K37L30-K33 HydrophobicContact CD2-CD 4.4Å; Y31-K33 PolarHBondContact O-N 2.92Å; K33-K37 WeakPolarHBondContact O-CB 3.49Å; K33-K37 PolarHBondContact O-N 3.31Å
34R90.1Very high81.5Confident125 Ų12585.3 Ų85.347%0.47245%0.448SS..Hα-helixtrans-74.9-39.1172.6-76.3173.860.3-163.3-7.9112L30 Y31 E32 K37 Y38 F105L30-R34 WeakPolarHBondContact O-CB 3.38Å; L30-R34 VanDerWaalsContact O-CG 3.29Å; L30-R34 WeakPolarHBondContact O-CG 3.39Å; L30-R34 PolarHBondContact O-N 3.05Å; Y31-R34 WeakPolarHBondContact O-CB 3.43Å; Y31-R34 PolarHBondContact O-N 2.97Å; Y31-R34 VanDerWaalsContact O-N 3.12Å; E32-R34 VanDerWaalsContact C-N 3.26Å; E32-R34 PolarHBondContact O-N 2.98Å; R34-K37 PolarHBondContact O-N 2.95Å; R34-Y38 WeakPolarHBondContact O-CB 3.46Å; R34-Y38 PolarHBondContact O-N 3.46Å; R34-F105 HydrophobicContact CB-CD1 4.45Å; R34-F105 HydrophobicContact CB-CE1 4.45Å
35L91.9Very high82.2Confident0 Ų086.7 Ų86.70%046%0.463CS..Hα-helixtrans-62.4-51.7175.4178.359000110.9Y31 E32 K37 Y38 L39 W100 F105 I108 L111Y31-L35 PolarHBondContact O-N 2.64Å; E32-L35 WeakPolarHBondContact O-CB 3.5Å; E32-L35 PolarHBondContact O-N 3.09Å; E32-L35 VanDerWaalsContact O-N 3.13Å; L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 2.88Å; L35-Y38 WeakPolarHBondContact O-CA 3.41Å; L35-Y38 PolarHBondContact O-N 3.24Å; L35-L39 HydrophobicContact CD1-CD1 3.8Å; L35-L39 HydrophobicContact CD1-CD2 4.38Å; L35-L39 HydrophobicContact CD1-CG 3.92Å; L35-L39 HydrophobicContact CG-CD1 3.79Å; L35-L39 HydrophobicContact CG-CG 4.33Å; L35-L39 WeakPolarHBondContact O-CG 3.34Å; L35-L39 PolarHBondContact O-N 2.95Å; L35-W100 HydrophobicContact CD1-CB 3.82Å; L35-W100 HydrophobicContact CD1-CD2 3.83Å; L35-W100 HydrophobicContact CD1-CE3 4.39Å; L35-W100 HydrophobicContact CD1-CG 3.56Å; L35-W100 HydrophobicContact CD2-CD2 4.13Å; L35-W100 HydrophobicContact CD2-CG 4.42Å; L35-W100 HydrophobicContact CD2-CZ2 4.07Å; L35-F105 HydrophobicContact CB-CB 4.28Å; L35-F105 HydrophobicContact CB-CD1 3.61Å; L35-F105 HydrophobicContact CB-CE1 4.14Å; L35-F105 HydrophobicContact CB-CG 4.01Å; L35-F105 HydrophobicContact CD1-CD1 4.07Å; L35-F105 HydrophobicContact CD1-CD2 3.92Å; L35-F105 HydrophobicContact CD1-CE1 4.23Å; L35-F105 HydrophobicContact CD1-CE2 4.1Å; L35-F105 HydrophobicContact CD1-CG 3.9Å; L35-F105 HydrophobicContact CD1-CZ 4.25Å; L35-F105 HydrophobicContact CG-CD1 4.41Å; L35-F105 HydrophobicContact CG-CG 4.42Å; L35-I108 HydrophobicContact CD2-CB 4.38Å; L35-I108 HydrophobicContact CD2-CG2 3.83Å; L35-L111 HydrophobicContact CD2-CD2 4.34Å
36L91.7Very high83.1Confident56 Ų5684 Ų8429%0.29345%0.45SS..Hα-helixtrans-55-44.3174.8-73.6166.4000112E32 Y38 F40 L111 L113E32-L36 HydrophobicContact CG-CD1 4.19Å; E32-L36 WeakPolarHBondContact O-CB 3.22Å; E32-L36 WeakPolarHBondContact O-CG 3.39Å; E32-L36 PolarHBondContact O-N 3.47Å; L36-Y38 VanDerWaalsContact C-N 3.32Å; L36-Y38 PolarHBondContact O-N 3.31Å; L36-F40 HydrophobicContact CD2-CE2 4.38Å; L36-F40 WeakPolarHBondContact O-CD2 3.35Å; L36-F40 PolarHBondContact O-N 3.38Å; L36-F40 VanDerWaalsContact O-N 3.15Å; L36-L111 HydrophobicContact CD2-CD1 4.2Å; L36-L111 HydrophobicContact CD2-CD2 4.04Å; L36-L111 HydrophobicContact CG-CD1 4.41Å; L36-L113 HydrophobicContact CD2-CD2 3.58Å
37K90.2Very high84.2Confident149 Ų14980.7 Ų80.765%0.64843%0.433SS*.Hα-helixtrans-62-39.6175.1-173.7-179.2175.6-167.50112K33 R34 L35 D41K33-K37 WeakPolarHBondContact O-CB 3.49Å; K33-K37 PolarHBondContact O-N 3.31Å; R34-K37 PolarHBondContact O-N 2.95Å; L35-K37 VanDerWaalsContact C-N 3.3Å; L35-K37 PolarHBondContact O-N 2.88Å; K37-D41 WeakPolarHBondContact O-CB 3.36Å; K37-D41 PolarHBondContact O-N 3.07Å
38Y90.9Very high85.5Confident101 Ų10177.4 Ų77.440%0.39642%0.421SS..Hα-helixtrans-74.6-33.3-178.4168.5-108.5000113.8R34 L35 L36 R44 F105R34-Y38 WeakPolarHBondContact O-CB 3.46Å; R34-Y38 PolarHBondContact O-N 3.46Å; L35-Y38 WeakPolarHBondContact O-CA 3.41Å; L35-Y38 PolarHBondContact O-N 3.24Å; L36-Y38 VanDerWaalsContact C-N 3.32Å; L36-Y38 PolarHBondContact O-N 3.31Å; Y38-R44 WeakPolarHBondContact O-CD 3.37Å; Y38-R44 PolarHBondContact O-NH1 2.93Å; Y38-F105 HydrophobicContact CD1-CE1 4.38Å; Y38-F105 HydrophobicContact CD1-CE2 4.04Å; Y38-F105 AromaticContact CD1-CZ 3.52Å; Y38-F105 HydrophobicContact CD1-CZ 3.52Å; Y38-F105 HydrophobicContact CE1-CE2 4.32Å; Y38-F105 HydrophobicContact CE1-CZ 4.15Å; Y38-F105 HydrophobicContact CG-CE1 4.5Å; Y38-F105 AromaticContact CG-CZ 3.87Å; Y38-F105 HydrophobicContact CG-CZ 3.87Å
39L91.3Very high87.1Confident1 Ų175.6 Ų75.61%0.00541%0.405CS..Hα-helixtrans-72.7-38.6176.3-66.8171.2000111.8L35 F98 W100 L111L35-L39 HydrophobicContact CD1-CD1 3.8Å; L35-L39 HydrophobicContact CD1-CD2 4.38Å; L35-L39 HydrophobicContact CD1-CG 3.92Å; L35-L39 HydrophobicContact CG-CD1 3.79Å; L35-L39 HydrophobicContact CG-CG 4.33Å; L35-L39 WeakPolarHBondContact O-CG 3.34Å; L35-L39 PolarHBondContact O-N 2.95Å; L39-F98 HydrophobicContact CB-CD1 4.5Å; L39-F98 HydrophobicContact CD1-CD1 4.26Å; L39-F98 HydrophobicContact CD2-CD1 4.25Å; L39-W100 HydrophobicContact CD1-CE3 4.29Å; L39-W100 HydrophobicContact CD1-CZ3 4.47Å; L39-W100 HydrophobicContact CD2-CE3 4.25Å; L39-L111 HydrophobicContact CD1-CD2 3.47Å; L39-L111 VanDerWaalsContact CD1-CD2 3.47Å
40F91.1Very high88.3Confident80 Ų8074.8 Ų74.835%0.35139%0.386SS..THydrogen-bonded Turntrans-98.723.6178.3-66.8-74.2000113.6L36 S42 F98 L113 A117L36-F40 HydrophobicContact CD2-CE2 4.38Å; L36-F40 WeakPolarHBondContact O-CD2 3.35Å; L36-F40 PolarHBondContact O-N 3.38Å; L36-F40 VanDerWaalsContact O-N 3.15Å; F40-S42 PolarHBondContact O-N 2.77Å; F40-F98 HydrophobicContact CZ-CE1 4.22Å; F40-F98 HydrophobicContact CZ-CZ 4.5Å; F40-L113 HydrophobicContact CE2-CD1 3.98Å; F40-L113 HydrophobicContact CE2-CD2 4.39Å; F40-L113 HydrophobicContact CZ-CD1 3.9Å; F40-A117 HydrophobicContact CE1-CB 4.43Å; F40-A117 WeakPolarHBondContact CE1-O 3.25Å; F40-A117 HydrophobicContact CZ-CB 4.08Å
41D90.8Very high88.7Confident49 Ų4978.3 Ų78.326%0.26240%0.404SS..  trans-80.8106.6177.8-155.3-50.4000110.6K37 S43 R44K37-D41 WeakPolarHBondContact O-CB 3.36Å; K37-D41 PolarHBondContact O-N 3.07Å; D41-S43 PolarHBondContact O-N 2.74Å; D41-S43 WeakPolarHBondContact OD1-CB 3.41Å; D41-S43 PolarHBondContact OD1-N 3.06Å; D41-S43 PolarHBondContact OD1-OG 3.46Å; D41-R44 WeakPolarHBondContact O-CB 3.19Å; D41-R44 PolarHBondContact O-N 3.39Å
42S88Confident88.8Confident113 Ų11379.3 Ų79.379%0.7941%0.411SS*.THydrogen-bonded Turntrans-65.2-0.3179.3-43.20000114.5F40F40-S42 PolarHBondContact O-N 2.77Å
43S87.1Confident89Confident102 Ų10275.7 Ų75.771%0.71339%0.393SS*.THydrogen-bonded Turntrans-88.4-5.617068.60000114.1D41D41-S43 PolarHBondContact O-N 2.74Å; D41-S43 WeakPolarHBondContact OD1-CB 3.41Å; D41-S43 PolarHBondContact OD1-N 3.06Å; D41-S43 PolarHBondContact OD1-OG 3.46Å
44R86.6Confident89.2Confident28 Ų2868.5 Ų68.511%0.10636%0.362CS..SBendtrans-71.8145.5172.8-81.5177.370.9172.7-4.3111.9Y38 D41 D46 A47 H97Y38-R44 WeakPolarHBondContact O-CD 3.37Å; Y38-R44 PolarHBondContact O-NH1 2.93Å; D41-R44 WeakPolarHBondContact O-CB 3.19Å; D41-R44 PolarHBondContact O-N 3.39Å; R44-D46 WeakPolarHBondContact CB-OD1 3.33Å; R44-D46 IonicContact CZ-OD1 3.9Å; R44-D46 IonicContact CZ-OD2 2.67Å; R44-D46 IonicContact NE-OD1 3.59Å; R44-D46 PolarHBondContact NE-OD1 3.23Å; R44-D46 IonicContact NE-OD2 3.75Å; R44-D46 VanDerWaalsContact NH2-CG 3.35Å; R44-D46 IonicContact NH2-OD1 2.75Å; R44-D46 IonicContact NH2-OD2 3.17Å; R44-D46 PolarHBondContact NH2-OD2 3.46Å; R44-A47 HydrophobicContact CB-CB 4.23Å; R44-A47 WeakPolarHBondContact O-CB 3.28Å; R44-A47 PolarHBondContact O-N 3.04Å; R44-H97 PolarHBondContact NH2-O 3.03Å
45P80.5Confident89.2Confident138 Ų13863.2 Ų63.290%0.89635%0.345SS*.THydrogen-bonded Turntrans-69.2-26.9169.631.4-34.6000111.6
46D83.1Confident88.9Confident52 Ų5267.1 Ų67.128%0.27838%0.376SS..THydrogen-bonded Turntrans-103.446173.160.1-23.8000110.7R44 H48R44-D46 WeakPolarHBondContact CB-OD1 3.33Å; R44-D46 IonicContact CZ-OD1 3.9Å; R44-D46 IonicContact CZ-OD2 2.67Å; R44-D46 IonicContact NE-OD1 3.59Å; R44-D46 PolarHBondContact NE-OD1 3.23Å; R44-D46 IonicContact NE-OD2 3.75Å; R44-D46 VanDerWaalsContact NH2-CG 3.35Å; R44-D46 IonicContact NH2-OD1 2.75Å; R44-D46 IonicContact NH2-OD2 3.17Å; R44-D46 PolarHBondContact NH2-OD2 3.46Å; D46-H48 PolarHBondContact O-N 2.73Å
47A85Confident88.8Confident35 Ų3567.6 Ų67.629%0.28938%0.379SS..  trans-72.3119.2176.600000110.9R44 N49R44-A47 HydrophobicContact CB-CB 4.23Å; R44-A47 WeakPolarHBondContact O-CB 3.28Å; R44-A47 PolarHBondContact O-N 3.04Å; A47-N49 PolarHBondContact O-N 2.65Å
48H89.2Confident88.7Confident24 Ų2467.3 Ų67.311%0.11139%0.385CS..  trans-60.7133.5-176-179.169.4000113.7D46 D95 H97 F98 W119D46-H48 PolarHBondContact O-N 2.73Å; H48-D95 IonicContact CE1-OD1 2.79Å; H48-D95 IonicContact CE1-OD2 3.69Å; H48-D95 IonicContact ND1-OD2 2.86Å; H48-D95 IonicContact NE2-OD2 2.74Å; H48-D95 PolarHBondContact NE2-OD2 3.5Å; H48-H97 HydrophobicContact CB-CB 3.96Å; H48-H97 WeakPolarHBondContact CE1-CB 3.33Å; H48-H97 AromaticContact CE1-CD2 3.7Å; H48-H97 AromaticContact CE1-CE1 3.54Å; H48-H97 AromaticContact CE1-CG 2.92Å; H48-H97 AromaticContact CE1-ND1 2.8Å; H48-H97 PolarHBondContact CE1-ND1 3.44Å; H48-H97 AromaticContact ND1-CG 3.85Å; H48-H97 AromaticContact ND1-ND1 3.8Å; H48-F98 HydrophobicContact CB-CZ 4.22Å; H48-F98 AromaticContact CD2-CZ 3.72Å; H48-F98 AromaticContact CE1-CE2 3.57Å; H48-F98 AromaticContact CG-CE2 3.85Å; H48-F98 AromaticContact CG-CZ 3.57Å; H48-F98 AromaticContact ND1-CE2 3.47Å; H48-F98 WeakPolarHBondContact ND1-CE2 3.32Å; H48-F98 AromaticContact ND1-CZ 3.71Å; H48-F98 AromaticContact NE2-CE2 3.93Å; H48-W119 VanDerWaalsContact NE2-CB 3.29Å; H48-W119 WeakPolarHBondContact NE2-CB 3.45Å; H48-W119 PolarHBondContact NE2-N 3.32Å
49N89.9Confident88.6Confident60 Ų6068.2 Ų68.232%0.32140%0.401SS..  trans-125.2114.9174.3174.110.8000109.5A47 I51 E52A47-N49 PolarHBondContact O-N 2.65Å; N49-I51 PolarHBondContact O-N 3.46Å; N49-I51 PolarHBondContact OD1-N 3.05Å; N49-E52 HydrophobicContact CB-CB 3.88Å; N49-E52 WeakPolarHBondContact CB-OE2 3.46Å; N49-E52 PolarHBondContact ND2-OE2 2.95Å; N49-E52 WeakPolarHBondContact O-CB 3.38Å; N49-E52 PolarHBondContact O-N 3.09Å
50P89.9Confident88.7Confident58 Ų5873.1 Ų73.138%0.37742%0.424SS..THydrogen-bonded Turntrans-71.7-4.4-17329.3-36.3000114.6W119P50-W119 WeakPolarHBondContact O-CA 3.44Å
51I89.9Confident88.7Confident143 Ų14372.2 Ų72.273%0.73343%0.425SS*.THydrogen-bonded Turntrans-90.2-17.7173-54.8176.7000110.8N49N49-I51 PolarHBondContact O-N 3.46Å; N49-I51 PolarHBondContact OD1-N 3.05Å
52E90.6Very high88.9Confident91 Ų9170.4 Ų70.443%0.42542%0.416SS..SBendtrans-93.9127.8-170.7-163.6163.5158.800111.3N49 W119N49-E52 HydrophobicContact CB-CB 3.88Å; N49-E52 WeakPolarHBondContact CB-OE2 3.46Å; N49-E52 PolarHBondContact ND2-OE2 2.95Å; N49-E52 WeakPolarHBondContact O-CB 3.38Å; N49-E52 PolarHBondContact O-N 3.09Å; E52-W119 VanDerWaalsContact C-CD1 3.46Å; E52-W119 WeakPolarHBondContact O-CB 3.38Å; E52-W119 VanDerWaalsContact O-CG 3.25Å
53R92.8Very high89.2Confident29 Ų2968.3 Ų68.311%0.10940%0.395CS..  trans-66.9124.8177.9177.3-172.261.4131.24.4108.6S55 D58 E60 L62 W119 Y184 Q188R53-S55 PolarHBondContact O-N 3.38Å; R53-D58 PolarHBondContact NH2-O 3.19Å; R53-E60 PolarHBondContact NH1-O 3.44Å; R53-L62 HydrophobicContact CG-CB 4.39Å; R53-L62 HydrophobicContact CG-CD2 3.96Å; R53-W119 HydrophobicContact CB-CZ2 4.38Å; R53-W119 HydrophobicContact CG-CZ2 4.2Å; R53-Y184 HydrophobicContact CB-CE1 4.37Å; R53-Q188 PolarHBondContact NH1-O 3.36Å
54P92.9Very high89.5Confident5 Ų563.4 Ų63.43%0.03236%0.361CS..  trans-79.361.9-171.233.4-38.8000113.3L62 D95 W119P54-L62 HydrophobicContact CG-CD2 4.01Å; P54-D95 HydrophobicContact CB-CB 3.87Å; P54-D95 VanDerWaalsContact CB-OD1 3.25Å; P54-D95 WeakPolarHBondContact CB-OD1 3.32Å; P54-D95 WeakPolarHBondContact CB-OD2 3.3Å; P54-D95 HydrophobicContact CG-CB 4.12Å; P54-W119 HydrophobicContact CG-CD2 4.27Å; P54-W119 HydrophobicContact CG-CE3 3.79Å; P54-W119 HydrophobicContact CG-CZ3 4.34Å
55S90.1Very high89.8Confident14 Ų1464 Ų6410%0.09837%0.369CS..  trans-105.2123.9171.6-166.10000109.3R53 N57 E60 Y96R53-S55 PolarHBondContact O-N 3.38Å; S55-N57 WeakPolarHBondContact CB-O 3.29Å; S55-N57 PolarHBondContact O-N 3.16Å; S55-N57 PolarHBondContact OG-O 3.2Å; S55-E60 PolarHBondContact OG-O 3.43Å; S55-Y96 VanDerWaalsContact C-CE1 3.42Å
56A86Confident90.5Very high81 Ų8157.5 Ų57.567%0.66933%0.327SS*.SBendtrans-66.9-8.4-177.600000113.7Y96A56-Y96 HydrophobicContact CB-CD1 3.96Å; A56-Y96 HydrophobicContact CB-CE1 4.19Å; A56-Y96 HydrophobicContact CB-CG 4.33Å
57N90Very high90.9Very high66 Ų6656.6 Ų56.635%0.35332%0.321SS..SBendtrans-147.8132.5175.5166.822.5000107.8S55 T59 E60S55-N57 WeakPolarHBondContact CB-O 3.29Å; S55-N57 PolarHBondContact O-N 3.16Å; S55-N57 PolarHBondContact OG-O 3.2Å; N57-T59 PolarHBondContact ND2-OG1 3.11Å; N57-T59 PolarHBondContact O-N 2.94Å; N57-T59 PolarHBondContact OD1-N 2.99Å; N57-T59 PolarHBondContact OD1-OG1 3.28Å; N57-E60 HydrophobicContact CB-CG 4.31Å; N57-E60 WeakPolarHBondContact CB-OE1 3.27Å; N57-E60 PolarHBondContact ND2-OE1 3.16Å; N57-E60 PolarHBondContact O-N 3.09Å
58D86.7Confident91.3Very high143 Ų14355.2 Ų55.277%0.76531%0.308SS*.THydrogen-bonded Turntrans-60-29.7-175.2-77.3-48000113.6R53 E60R53-D58 PolarHBondContact NH2-O 3.19Å; D58-E60 VanDerWaalsContact C-N 3.29Å; D58-E60 PolarHBondContact O-N 2.91Å
59T89.6Confident91.6Very high121 Ų12155.3 Ų55.374%0.74231%0.308SS*.THydrogen-bonded Turntrans-81.1-3.6-177.363.40000114.5N57N57-T59 PolarHBondContact ND2-OG1 3.11Å; N57-T59 PolarHBondContact O-N 2.94Å; N57-T59 PolarHBondContact OD1-N 2.99Å; N57-T59 PolarHBondContact OD1-OG1 3.28Å
60E92.1Very high91.9Very high103 Ų10352.5 Ų52.548%0.48129%0.294SS..SBendtrans-91.1147.8-178.8-76.4167.1-141.500112.6R53 S55 N57 D58R53-E60 PolarHBondContact NH1-O 3.44Å; S55-E60 PolarHBondContact OG-O 3.43Å; N57-E60 HydrophobicContact CB-CG 4.31Å; N57-E60 WeakPolarHBondContact CB-OE1 3.27Å; N57-E60 PolarHBondContact ND2-OE1 3.16Å; N57-E60 PolarHBondContact O-N 3.09Å; D58-E60 VanDerWaalsContact C-N 3.29Å; D58-E60 PolarHBondContact O-N 2.91Å
61T92.5Very high92.1Very high61 Ų6151.3 Ų51.337%0.37428%0.284SS..  trans-81.5123.2177.4340000110.3N63 D187T61-N63 PolarHBondContact O-N 3.47Å; T61-N63 VanDerWaalsContact O-N 3.17Å; T61-N63 PolarHBondContact O-ND2 2.94Å; T61-D187 VanDerWaalsContact CG2-C 3.5Å; T61-D187 WeakPolarHBondContact CG2-O 3.46Å
62L94.2Very high92.3Very high12 Ų1246.9 Ų46.96%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-76.8107.6169.4-174.863.3000109R53 P54 V64 W119 Q188 I189 N190R53-L62 HydrophobicContact CG-CB 4.39Å; R53-L62 HydrophobicContact CG-CD2 3.96Å; P54-L62 HydrophobicContact CG-CD2 4.01Å; L62-V64 HydrophobicContact CD2-CG2 4.49Å; L62-V64 HydrophobicContact CG-CG2 4.3Å; L62-V64 PolarHBondContact O-N 2.71Å; L62-W119 HydrophobicContact CD2-CE3 4.24Å; L62-W119 HydrophobicContact CD2-CH2 3.46Å; L62-W119 VanDerWaalsContact CD2-CH2 3.46Å; L62-W119 HydrophobicContact CD2-CZ2 4.35Å; L62-W119 HydrophobicContact CD2-CZ3 3.39Å; L62-Q188 PolarHBondContact N-O 3.25Å; L62-I189 WeakPolarHBondContact O-CA 3.39Å; L62-N190 PolarHBondContact O-N 3.48Å
63N93.7Very high92.5Very high68 Ų6842.6 Ų42.636%0.36424%0.24SC..EExtended strand (participates in β ladder)trans-80.5115.1176.5-66.3-68.5000109.6T61 N190 Q192T61-N63 PolarHBondContact O-N 3.47Å; T61-N63 VanDerWaalsContact O-N 3.17Å; T61-N63 PolarHBondContact O-ND2 2.94Å; N63-N190 WeakPolarHBondContact CA-O 3.37Å; N63-N190 PolarHBondContact OD1-ND2 2.99Å; N63-Q192 VanDerWaalsContact CG-NE2 3.32Å; N63-Q192 PolarHBondContact OD1-NE2 3.34Å
64V94.7Very high92.5Very high0 Ų045.1 Ų45.10%025%0.254CS..EExtended strand (participates in β ladder)trans-107.1113.2177.3-179.30000107.9L62 V66 W93 P121 I189 N190 F191 Q192L62-V64 HydrophobicContact CD2-CG2 4.49Å; L62-V64 HydrophobicContact CG-CG2 4.3Å; L62-V64 PolarHBondContact O-N 2.71Å; V64-V66 HydrophobicContact CG1-CG2 4.12Å; V64-W93 HydrophobicContact CG2-CB 4.21Å; V64-P121 HydrophobicContact CG1-CG 4.38Å; V64-I189 HydrophobicContact CG2-CG2 3.89Å; V64-N190 PolarHBondContact N-O 3.37Å; V64-F191 HydrophobicContact CB-CD1 3.89Å; V64-F191 HydrophobicContact CB-CE1 4.15Å; V64-F191 HydrophobicContact CG1-CD1 4.07Å; V64-F191 HydrophobicContact CG1-CE1 4.2Å; V64-F191 HydrophobicContact CG2-CE1 4.5Å; V64-F191 CarbonylContact O-C 3.57Å; V64-F191 WeakPolarHBondContact O-CA 3.43Å; V64-Q192 PolarHBondContact O-N 3.25Å
65S93.6Very high92.5Very high39 Ų3949.2 Ų49.227%0.27328%0.276SS..EExtended strand (participates in β ladder)trans-75.9129.8171.5-65.40000109.5I92 Q192S65-I92 PolarHBondContact N-O 2.81Å; S65-I92 PolarHBondContact O-N 3.06Å; S65-Q192 CarbonylContact C-O 3.58Å; S65-Q192 WeakPolarHBondContact CA-O 3.44Å
66V93.4Very high92.7Very high3 Ų348.7 Ų48.72%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-124.5131.5-176.5-175.50000109.8V64 F68 D90 L91 F191 Q192 Q194V64-V66 HydrophobicContact CG1-CG2 4.12Å; V66-F68 HydrophobicContact CG1-CD2 3.96Å; V66-F68 HydrophobicContact CG1-CE1 4.4Å; V66-F68 HydrophobicContact CG1-CE2 3.33Å; V66-F68 HydrophobicContact CG1-CZ 3.6Å; V66-D90 WeakPolarHBondContact CA-O 3.44Å; V66-L91 HydrophobicContact CB-CD2 4.28Å; V66-L91 HydrophobicContact CG1-CD2 3.84Å; V66-L91 HydrophobicContact CG2-CD2 3.89Å; V66-F191 HydrophobicContact CG2-CB 4.18Å; V66-F191 HydrophobicContact CG2-CD1 3.67Å; V66-F191 HydrophobicContact CG2-CG 4.31Å; V66-Q192 PolarHBondContact N-O 3.3Å; V66-Q194 PolarHBondContact O-N 3.2Å; V66-Q194 VanDerWaalsContact O-N 3.07Å
67K92.7Very high93Very high32 Ų3247.3 Ų47.314%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-130.4143.5168.2-175.1177.1172.2-174.10109.8F69 D90 Q194 D210K67-F69 HydrophobicContact CD-CE2 3.85Å; K67-F69 HydrophobicContact CD-CZ 3.76Å; K67-F69 VanDerWaalsContact CE-CZ 3.42Å; K67-F69 HydrophobicContact CG-CE2 3.98Å; K67-F69 HydrophobicContact CG-CZ 4.36Å; K67-D90 HydrophobicContact CB-CB 4.26Å; K67-D90 PolarHBondContact N-O 2.87Å; K67-D90 PolarHBondContact O-N 2.95Å; K67-Q194 HydrophobicContact CB-CB 4.17Å; K67-Q194 VanDerWaalsContact CD-OE1 3.29Å; K67-D210 WeakPolarHBondContact CE-OD2 3.42Å; K67-D210 IonicContact NZ-OD2 3.54Å; K67-D210 PolarHBondContact NZ-OD2 3.33Å
68F94.1Very high93.1Very high6 Ų645.2 Ų45.23%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-117.8133.6178.2-65.3-86.2000110.6V66 I87 M89 F179 V209 D210 V227 V244 I246V66-F68 HydrophobicContact CG1-CD2 3.96Å; V66-F68 HydrophobicContact CG1-CE1 4.4Å; V66-F68 HydrophobicContact CG1-CE2 3.33Å; V66-F68 HydrophobicContact CG1-CZ 3.6Å; F68-I87 HydrophobicContact CB-CG2 4.18Å; F68-I87 HydrophobicContact CD1-CG2 3.8Å; F68-I87 HydrophobicContact CG-CG2 4.48Å; F68-M89 HydrophobicContact CD1-CB 4.39Å; F68-M89 HydrophobicContact CD1-CG 3.85Å; F68-M89 HydrophobicContact CE1-CB 4.3Å; F68-M89 HydrophobicContact CE1-CG 3.69Å; F68-M89 HydrophobicContact CE1-SD 3.86Å; F68-F179 HydrophobicContact CE1-CD1 4.48Å; F68-F179 AromaticContact CE1-CD2 3.87Å; F68-F179 HydrophobicContact CE1-CD2 3.87Å; F68-F179 HydrophobicContact CE1-CE2 4.09Å; F68-F179 HydrophobicContact CE1-CG 4.08Å; F68-F179 HydrophobicContact CE1-CZ 4.48Å; F68-F179 HydrophobicContact CZ-CB 4.17Å; F68-F179 AromaticContact CZ-CD2 3.97Å; F68-F179 HydrophobicContact CZ-CD2 3.97Å; F68-F179 HydrophobicContact CZ-CG 4.07Å; F68-V209 HydrophobicContact CB-CG1 4.27Å; F68-V209 WeakPolarHBondContact O-CG1 3.49Å; F68-D210 PolarHBondContact O-N 2.8Å; F68-V227 HydrophobicContact CD2-CG2 4.09Å; F68-V227 HydrophobicContact CE2-CG2 4.38Å; F68-V244 HydrophobicContact CE2-CB 4.36Å; F68-V244 HydrophobicContact CE2-CG1 3.74Å; F68-V244 HydrophobicContact CZ-CG1 4.48Å; F68-I246 HydrophobicContact CB-CD1 3.85Å; F68-I246 HydrophobicContact CD1-CD1 3.6Å; F68-I246 HydrophobicContact CD2-CD1 3.9Å; F68-I246 HydrophobicContact CD2-CG1 4.31Å; F68-I246 HydrophobicContact CE1-CD1 4.01Å; F68-I246 HydrophobicContact CE2-CD1 4.3Å; F68-I246 HydrophobicContact CG-CD1 3.51Å; F68-I246 HydrophobicContact CG-CG1 4.39Å; F68-I246 HydrophobicContact CZ-CD1 4.35Å
69F94.5Very high93.3Very high26 Ų2642.4 Ų42.411%0.11422%0.223CC..EExtended strand (participates in β ladder)trans-113.2119.8171.8-59.6-104.1000108.6K67 N71 I87 W88 D90 M152 D210K67-F69 HydrophobicContact CD-CE2 3.85Å; K67-F69 HydrophobicContact CD-CZ 3.76Å; K67-F69 VanDerWaalsContact CE-CZ 3.42Å; K67-F69 HydrophobicContact CG-CE2 3.98Å; K67-F69 HydrophobicContact CG-CZ 4.36Å; F69-N71 PolarHBondContact O-N 3.23Å; F69-I87 CarbonylContact O-C 3.58Å; F69-I87 WeakPolarHBondContact O-CA 3.21Å; F69-I87 WeakPolarHBondContact O-CG2 3.21Å; F69-W88 HydrophobicContact CB-CB 4.27Å; F69-W88 PolarHBondContact N-O 3.49Å; F69-W88 PolarHBondContact O-N 3.43Å; F69-D90 HydrophobicContact CE2-CB 3.89Å; F69-M152 HydrophobicContact CE2-CE 4.46Å; F69-D210 WeakPolarHBondContact CA-O 3.39Å; F69-D210 HydrophobicContact CD1-CB 3.56Å; F69-D210 HydrophobicContact CE1-CB 3.9Å; F69-D210 WeakPolarHBondContact CE1-OD2 3.41Å; F69-D210 HydrophobicContact CG-CB 4.09Å
70L95.6Very high93.4Very high2 Ų242 Ų421%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-87101.7174.3176.464.1000108.4V73 T85 I87 V209 D210 L211 Y214 L222 I248L70-V73 HydrophobicContact CD1-CG2 4.48Å; L70-V73 HydrophobicContact CD2-CG2 4.32Å; L70-T85 HydrophobicContact CD1-CG2 4.02Å; L70-I87 HydrophobicContact CD1-CG1 3.96Å; L70-V209 HydrophobicContact CB-CG1 3.83Å; L70-D210 PolarHBondContact N-O 2.87Å; L70-L211 HydrophobicContact CB-CD2 3.93Å; L70-L211 HydrophobicContact CD2-CD2 4.14Å; L70-L211 HydrophobicContact CG-CD2 4.49Å; L70-Y214 HydrophobicContact CD2-CD2 4.22Å; L70-Y214 HydrophobicContact CD2-CE2 4.16Å; L70-Y214 HydrophobicContact CG-CD2 4.03Å; L70-Y214 HydrophobicContact CG-CE2 4.26Å; L70-Y214 WeakPolarHBondContact O-CD2 3.43Å; L70-L222 HydrophobicContact CD2-CD1 4.37Å; L70-L222 HydrophobicContact CD2-CD2 3.97Å; L70-I248 HydrophobicContact CD1-CD1 4.22Å; L70-I248 HydrophobicContact CD2-CD1 4.06Å; L70-I248 HydrophobicContact CD2-CG2 4.47Å
71N94.4Very high93.4Very high32 Ų3239.5 Ų39.517%0.17120%0.204CC..EExtended strand (participates in β ladder)trans-78.7-45.8-178.7180-94.2000111.3F69 I86 W88 E213 Y214 S215F69-N71 PolarHBondContact O-N 3.23Å; N71-I86 HydrophobicContact CB-CB 4.48Å; N71-I86 HydrophobicContact CB-CG2 4.09Å; N71-I86 PolarHBondContact N-O 3.1Å; N71-W88 WeakPolarHBondContact ND2-CZ2 3.38Å; N71-E213 PolarHBondContact ND2-O 3.34Å; N71-Y214 WeakPolarHBondContact O-CA 3.46Å; N71-S215 WeakPolarHBondContact O-CB 3.35Å; N71-S215 PolarHBondContact O-N 3.48Å
72Q94.3Very high93.6Very high51 Ų5137.4 Ų37.424%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-155.1140.8176.1-174.9164-25.200112.7M74 T85 I86 S215Q72-M74 HydrophobicContact CB-SD 4.32Å; Q72-M74 HydrophobicContact CG-SD 3.92Å; Q72-T85 WeakPolarHBondContact O-CA 3.5Å; Q72-I86 PolarHBondContact N-O 3.45Å; Q72-I86 PolarHBondContact O-N 3.45Å; Q72-S215 PolarHBondContact OE1-OG 2.89Å
73V95.6Very high93.6Very high0 Ų036.9 Ų36.90%019%0.188CC..EExtended strand (participates in β ladder)trans-83.2109.6157.1176.30000106.7L70 V76 L83 T85 Y214 N217 L250L70-V73 HydrophobicContact CD1-CG2 4.48Å; L70-V73 HydrophobicContact CD2-CG2 4.32Å; V73-V76 HydrophobicContact CG1-CG2 4.21Å; V73-L83 HydrophobicContact CG1-CD1 3.97Å; V73-T85 HydrophobicContact CG2-CG2 4.26Å; V73-Y214 HydrophobicContact CG2-CE2 4.34Å; V73-N217 PolarHBondContact O-ND2 3.5Å; V73-L250 HydrophobicContact CG1-CD1 4.09Å; V73-L250 HydrophobicContact CG2-CD2 4.08Å
74M92.5Very high93.7Very high83 Ų8334.5 Ų34.541%0.40918%0.177SC..EExtended strand (participates in β ladder)trans-79.6-49.7-173.8-73.3-63.5-60.800111.3Q72 T84 I86 L156Q72-M74 HydrophobicContact CB-SD 4.32Å; Q72-M74 HydrophobicContact CG-SD 3.92Å; M74-T84 HydrophobicContact CB-CG2 4Å; M74-T84 PolarHBondContact N-O 3.3Å; M74-I86 HydrophobicContact CG-CD1 3.88Å; M74-I86 HydrophobicContact CG-CG1 3.81Å; M74-I86 HydrophobicContact SD-CD1 3.63Å; M74-I86 HydrophobicContact SD-CG1 4.25Å; M74-L156 HydrophobicContact CG-CD1 4.38Å
75D93Very high93.7Very high91 Ų9134.5 Ų34.549%0.48718%0.177SC..EExtended strand (participates in β ladder)trans-159.2153.7-170.7-163.69.1000110.4T84D75-T84 PolarHBondContact N-O 2.82Å; D75-T84 PolarHBondContact O-N 3.1Å
76V93.7Very high93.8Very high3 Ų334.7 Ų34.72%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-133.192173.1-1750000106.7V73 E78 L83 I163 F220 L250V73-V76 HydrophobicContact CG1-CG2 4.21Å; V76-E78 VanDerWaalsContact O-CD 3.24Å; V76-E78 PolarHBondContact O-N 2.9Å; V76-L83 HydrophobicContact CG2-CD1 3.89Å; V76-I163 HydrophobicContact CG1-CD1 3.99Å; V76-F220 HydrophobicContact CB-CD2 4.49Å; V76-F220 HydrophobicContact CB-CE2 3.72Å; V76-F220 HydrophobicContact CB-CZ 3.73Å; V76-F220 HydrophobicContact CG1-CZ 4.22Å; V76-F220 HydrophobicContact CG2-CD2 3.97Å; V76-F220 HydrophobicContact CG2-CE1 4.41Å; V76-F220 HydrophobicContact CG2-CE2 3.7Å; V76-F220 HydrophobicContact CG2-CG 4.44Å; V76-F220 HydrophobicContact CG2-CZ 3.93Å; V76-L250 HydrophobicContact CG2-CD1 3.93Å
77D93.5Very high93.9Very high51 Ų5134.6 Ų34.627%0.27317%0.173SC..EExtended strand (participates in β ladder)trans-76.595.2178.2-175.8-25.2000108.3K79 N80 Q81 V82D77-K79 VanDerWaalsContact C-N 3.27Å; D77-K79 PolarHBondContact O-N 3.16Å; D77-K79 PolarHBondContact OD1-N 2.95Å; D77-N80 PolarHBondContact OD1-N 3.28Å; D77-N80 PolarHBondContact OD1-ND2 2.92Å; D77-N80 PolarHBondContact OD2-ND2 3.45Å; D77-Q81 WeakPolarHBondContact O-CA 3.11Å; D77-Q81 PolarHBondContact O-N 2.86Å; D77-V82 HydrophobicContact CB-CB 4.43Å; D77-V82 PolarHBondContact N-O 3.16Å; D77-V82 PolarHBondContact O-N 3.4Å
78E91.3Very high94Very high23 Ų2336.8 Ų36.811%0.10718%0.181CC..THydrogen-bonded Turntrans-66.9-34.3-178.2-56.490.3168.500111.8V76 Q81 I163 R252 P308V76-E78 VanDerWaalsContact O-CD 3.24Å; V76-E78 PolarHBondContact O-N 2.9Å; E78-Q81 PolarHBondContact O-N 3.41Å; E78-I163 HydrophobicContact CB-CG1 4.37Å; E78-I163 HydrophobicContact CB-CG2 4.14Å; E78-I163 HydrophobicContact CG-CG1 4.43Å; E78-I163 HydrophobicContact CG-CG2 3.98Å; E78-R252 IonicContact OE1-CZ 2.6Å; E78-R252 IonicContact OE1-NH1 2.79Å; E78-R252 PolarHBondContact OE1-NH1 2.92Å; E78-R252 IonicContact OE1-NH2 3.79Å; E78-R252 PolarHBondContact OE1-NH2 2.93Å; E78-P308 VanDerWaalsContact O-CB 3.29Å; E78-P308 WeakPolarHBondContact O-CB 3.05Å; E78-P308 WeakPolarHBondContact O-CD 3.43Å; E78-P308 WeakPolarHBondContact O-CG 3.43Å
79K90.3Very high94Very high84 Ų8436.6 Ų36.637%0.36518%0.18SC..THydrogen-bonded Turntrans-64.5-42.3-176.1-174.4173.1-166.4154.30112D77 D305D77-K79 VanDerWaalsContact C-N 3.27Å; D77-K79 PolarHBondContact O-N 3.16Å; D77-K79 PolarHBondContact OD1-N 2.95Å; K79-D305 PolarHBondContact NZ-O 3.36Å; K79-D305 IonicContact NZ-OD1 3.61Å
80N91.5Very high94Very high111 Ų11135.9 Ų35.959%0.59418%0.177SC*.THydrogen-bonded Turntrans-96.4-0.4176.7-61.3-55.4000113.3D77 V82D77-N80 PolarHBondContact OD1-N 3.28Å; D77-N80 PolarHBondContact OD1-ND2 2.92Å; D77-N80 PolarHBondContact OD2-ND2 3.45Å; N80-V82 HydrophobicContact CB-CG2 4.29Å; N80-V82 WeakPolarHBondContact O-CG2 3.37Å
81Q93.3Very high94Very high51 Ų5135.8 Ų35.824%0.23818%0.177CC..THydrogen-bonded Turntrans58.646.2-179.7-63.6-172-4800113.8D77 E78 T160 C161 P308D77-Q81 WeakPolarHBondContact O-CA 3.11Å; D77-Q81 PolarHBondContact O-N 2.86Å; E78-Q81 PolarHBondContact O-N 3.41Å; Q81-T160 WeakPolarHBondContact O-CA 3.19Å; Q81-C161 WeakPolarHBondContact CB-O 3.41Å; Q81-C161 PolarHBondContact O-N 3.37Å; Q81-P308 HydrophobicContact CG-CB 4.25Å
82V95.1Very high94.1Very high18 Ų1835.7 Ų35.711%0.10918%0.176CC..EExtended strand (participates in β ladder)trans-123.8119.3-177.3-175.40000112.7D77 N80 A129 K158D77-V82 HydrophobicContact CB-CB 4.43Å; D77-V82 PolarHBondContact N-O 3.16Å; D77-V82 PolarHBondContact O-N 3.4Å; N80-V82 HydrophobicContact CB-CG2 4.29Å; N80-V82 WeakPolarHBondContact O-CG2 3.37Å; V82-A129 HydrophobicContact CB-CB 4.34Å; V82-A129 HydrophobicContact CG1-CB 3.81Å; V82-A129 HydrophobicContact CG2-CB 3.62Å; V82-K158 HydrophobicContact CG1-CB 3.89Å; V82-K158 HydrophobicContact CG1-CD 4.41Å; V82-K158 HydrophobicContact CG1-CG 3.97Å
83L95.8Very high94.1Very high0 Ų033.5 Ų33.50%017%0.165CC..EExtended strand (participates in β ladder)trans-85.2127.6165.9167.766.3000109.9V73 V76 T85 K158 S159 C161 C175 L177 I248 L250V73-L83 HydrophobicContact CG1-CD1 3.97Å; V76-L83 HydrophobicContact CG2-CD1 3.89Å; L83-T85 HydrophobicContact CD1-CG2 3.86Å; L83-T85 HydrophobicContact CD2-CG2 4.02Å; L83-T85 HydrophobicContact CG-CG2 3.89Å; L83-K158 CarbonylContact O-C 3.53Å; L83-K158 WeakPolarHBondContact O-CA 3.32Å; L83-S159 PolarHBondContact N-O 2.95Å; L83-S159 PolarHBondContact O-N 3.19Å; L83-C161 HydrophobicContact CB-CB 4.24Å; L83-C175 HydrophobicContact CB-CB 4.42Å; L83-C175 HydrophobicContact CD2-CB 3.46Å; L83-C175 VanDerWaalsContact CD2-CB 3.46Å; L83-L177 HydrophobicContact CD2-CD1 4.06Å; L83-I248 HydrophobicContact CD2-CD1 4.42Å; L83-L250 HydrophobicContact CD1-CD1 4.07Å
84T95.3Very high94.1Very high19 Ų1937.6 Ų37.612%0.11719%0.187CC..EExtended strand (participates in β ladder)trans-109.5122.2172.6-54.60000111M74 D75 L156 F157 K158M74-T84 HydrophobicContact CB-CG2 4Å; M74-T84 PolarHBondContact N-O 3.3Å; D75-T84 PolarHBondContact N-O 2.82Å; D75-T84 PolarHBondContact O-N 3.1Å; T84-L156 HydrophobicContact CG2-CD1 3.71Å; T84-F157 CarbonylContact C-O 3.54Å; T84-F157 WeakPolarHBondContact CA-O 3.33Å; T84-K158 HydrophobicContact CG2-CG 4.24Å
85T95.4Very high94.2Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-131.2151.3-178.750.50000112.4L70 Q72 V73 L83 L156 F157 I248L70-T85 HydrophobicContact CD1-CG2 4.02Å; Q72-T85 WeakPolarHBondContact O-CA 3.5Å; V73-T85 HydrophobicContact CG2-CG2 4.26Å; L83-T85 HydrophobicContact CD1-CG2 3.86Å; L83-T85 HydrophobicContact CD2-CG2 4.02Å; L83-T85 HydrophobicContact CG-CG2 3.89Å; T85-L156 CarbonylContact O-C 3.58Å; T85-F157 PolarHBondContact N-O 2.92Å; T85-F157 PolarHBondContact O-N 3.39Å; T85-I248 HydrophobicContact CG2-CD1 4.22Å
86I95.4Very high94.1Very high43 Ų4332.2 Ų32.222%0.22116%0.156CC..EExtended strand (participates in β ladder)trans-103.8115.3163.5-61.8174.1000107.2N71 Q72 M74 G155 L156N71-I86 HydrophobicContact CB-CB 4.48Å; N71-I86 HydrophobicContact CB-CG2 4.09Å; N71-I86 PolarHBondContact N-O 3.1Å; Q72-I86 PolarHBondContact N-O 3.45Å; Q72-I86 PolarHBondContact O-N 3.45Å; M74-I86 HydrophobicContact CG-CD1 3.88Å; M74-I86 HydrophobicContact CG-CG1 3.81Å; M74-I86 HydrophobicContact SD-CD1 3.63Å; M74-I86 HydrophobicContact SD-CG1 4.25Å; I86-G155 WeakPolarHBondContact CA-O 3.3Å; I86-L156 HydrophobicContact CG1-CD1 3.83Å
87I95.4Very high94Very high1 Ų132.3 Ų32.31%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-124.5134.9179.9-56.1178.4000108F68 F69 L70 G155 F157 L177 I246F68-I87 HydrophobicContact CB-CG2 4.18Å; F68-I87 HydrophobicContact CD1-CG2 3.8Å; F68-I87 HydrophobicContact CG-CG2 4.48Å; F69-I87 CarbonylContact O-C 3.58Å; F69-I87 WeakPolarHBondContact O-CA 3.21Å; F69-I87 WeakPolarHBondContact O-CG2 3.21Å; L70-I87 HydrophobicContact CD1-CG1 3.96Å; I87-G155 PolarHBondContact N-O 3.35Å; I87-G155 VanDerWaalsContact N-O 3.08Å; I87-G155 PolarHBondContact O-N 3.36Å; I87-F157 HydrophobicContact CB-CD2 3.91Å; I87-F157 HydrophobicContact CB-CE2 4.12Å; I87-F157 HydrophobicContact CD1-CD2 4.42Å; I87-F157 HydrophobicContact CG1-CD2 4.32Å; I87-L177 HydrophobicContact CD1-CD2 3.97Å; I87-I246 HydrophobicContact CD1-CD1 4.24Å
88W95.1Very high93.9Very high78 Ų7829.9 Ų29.930%0.29514%0.143SC..EExtended strand (participates in β ladder)trans-99.4127.9169.7-50.4-6.8000108F69 N71 M152 P154 E213F69-W88 HydrophobicContact CB-CB 4.27Å; F69-W88 PolarHBondContact N-O 3.49Å; F69-W88 PolarHBondContact O-N 3.43Å; N71-W88 WeakPolarHBondContact ND2-CZ2 3.38Å; W88-M152 HydrophobicContact CE3-SD 4.36Å; W88-P154 HydrophobicContact CG-CB 4.09Å; W88-E213 HydrophobicContact CH2-CG 4.49Å; W88-E213 HydrophobicContact CZ3-CG 4.27Å
89M93.6Very high94Very high2 Ų232.8 Ų32.81%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-102.8113.7179.3-50.7-172.7-62.100107.4F68 L91 I123 T136 M152 P153 F157 F179F68-M89 HydrophobicContact CD1-CB 4.39Å; F68-M89 HydrophobicContact CD1-CG 3.85Å; F68-M89 HydrophobicContact CE1-CB 4.3Å; F68-M89 HydrophobicContact CE1-CG 3.69Å; F68-M89 HydrophobicContact CE1-SD 3.86Å; M89-L91 HydrophobicContact CB-CD2 4.32Å; M89-L91 HydrophobicContact CB-CG 4.33Å; M89-I123 HydrophobicContact SD-CG2 4.49Å; M89-T136 HydrophobicContact CE-CG2 3.74Å; M89-M152 WeakPolarHBondContact O-CA 3.48Å; M89-P153 HydrophobicContact CE-CG 4.09Å; M89-P153 PolarHBondContact N-O 3.2Å; M89-P153 VanDerWaalsContact N-O 3.13Å; M89-P153 VanDerWaalsContact O-CD 3.27Å; M89-P153 WeakPolarHBondContact O-CD 3.14Å; M89-F157 HydrophobicContact CE-CZ 3.95Å; M89-F157 HydrophobicContact CG-CE2 4.4Å; M89-F157 HydrophobicContact SD-CE2 4.2Å; M89-F157 HydrophobicContact SD-CZ 3.8Å; M89-F179 HydrophobicContact SD-CD1 4.09Å; M89-F179 HydrophobicContact SD-CE1 3.93Å
90D94.3Very high94.1Very high10 Ų1029.4 Ų29.45%0.05314%0.144CC..EExtended strand (participates in β ladder)trans-94.4114.2173.8-172.620.9000108.7V66 K67 F69 Q150 M152V66-D90 WeakPolarHBondContact CA-O 3.44Å; K67-D90 HydrophobicContact CB-CB 4.26Å; K67-D90 PolarHBondContact N-O 2.87Å; K67-D90 PolarHBondContact O-N 2.95Å; F69-D90 HydrophobicContact CE2-CB 3.89Å; D90-Q150 VanDerWaalsContact CG-NE2 3.33Å; D90-Q150 WeakPolarHBondContact OD1-CG 3.35Å; D90-Q150 PolarHBondContact OD1-NE2 3.39Å; D90-Q150 PolarHBondContact OD2-NE2 3.4Å; D90-Q150 VanDerWaalsContact OD2-NE2 3.11Å; D90-M152 HydrophobicContact CB-CE 3.85Å; D90-M152 HydrophobicContact CB-CG 4.25Å; D90-M152 VanDerWaalsContact CG-CE 3.48Å
91L94.9Very high94.2Very high0 Ų027.3 Ų27.30%013%0.133CC..EExtended strand (participates in β ladder)trans-117.6117.6-170.9-55.6178.4000108.7V66 M89 W93 P121 I123 Q150 W151V66-L91 HydrophobicContact CB-CD2 4.28Å; V66-L91 HydrophobicContact CG1-CD2 3.84Å; V66-L91 HydrophobicContact CG2-CD2 3.89Å; M89-L91 HydrophobicContact CB-CD2 4.32Å; M89-L91 HydrophobicContact CB-CG 4.33Å; L91-W93 HydrophobicContact CB-CE3 4.37Å; L91-W93 HydrophobicContact CB-CZ3 3.98Å; L91-P121 HydrophobicContact CD1-CG 4.48Å; L91-I123 HydrophobicContact CD1-CD1 3.76Å; L91-I123 HydrophobicContact CD2-CD1 3.46Å; L91-I123 VanDerWaalsContact CD2-CD1 3.46Å; L91-I123 HydrophobicContact CG-CD1 4.26Å; L91-Q150 CarbonylContact O-C 3.5Å; L91-Q150 WeakPolarHBondContact O-CA 3.3Å; L91-W151 WeakPolarHBondContact CB-O 3.36Å; L91-W151 HydrophobicContact CD1-CE3 3.85Å; L91-W151 HydrophobicContact CD1-CZ3 4.13Å; L91-W151 PolarHBondContact N-O 3.4Å; L91-W151 PolarHBondContact O-N 3.18Å
92I95.9Very high94.2Very high30 Ų3025.8 Ų25.815%0.15413%0.127CC..EExtended strand (participates in β ladder)trans-124.3122.9-177.4-60.2168.6000109.4S65 T148 V149 Q150S65-I92 PolarHBondContact N-O 2.81Å; S65-I92 PolarHBondContact O-N 3.06Å; I92-T148 HydrophobicContact CG2-CG2 3.61Å; I92-V149 WeakPolarHBondContact CA-O 3.49Å; I92-Q150 HydrophobicContact CD1-CG 4.4Å; I92-Q150 HydrophobicContact CG1-CB 4.14Å; I92-Q150 HydrophobicContact CG1-CG 3.85Å
93W95.5Very high94Very high5 Ų533 Ų332%0.01916%0.157CC..EExtended strand (participates in β ladder)trans-136.8171.2173.366.397.1000110.4V64 L91 W119 R120 V149 W151V64-W93 HydrophobicContact CG2-CB 4.21Å; L91-W93 HydrophobicContact CB-CE3 4.37Å; L91-W93 HydrophobicContact CB-CZ3 3.98Å; W93-W119 WeakPolarHBondContact CZ2-O 3.29Å; W93-W119 AromaticContact NE1-CE3 3.92Å; W93-R120 HydrophobicContact CH2-CB 4.43Å; W93-V149 HydrophobicContact CD2-CB 4.1Å; W93-V149 HydrophobicContact CD2-CG1 4.38Å; W93-V149 HydrophobicContact CH2-CB 4.46Å; W93-V149 HydrophobicContact CH2-CG1 3.7Å; W93-V149 HydrophobicContact CZ2-CB 3.86Å; W93-V149 HydrophobicContact CZ2-CG1 3.32Å; W93-V149 HydrophobicContact CZ3-CG1 4.35Å; W93-V149 PolarHBondContact N-O 2.88Å; W93-V149 PolarHBondContact O-N 3.15Å; W93-W151 HydrophobicContact CH2-CB 3.76Å; W93-W151 HydrophobicContact CZ3-CB 3.81Å
94N94.8Very high93.7Very high86 Ų8638.7 Ų38.746%0.4618%0.184SC..EExtended strand (participates in β ladder)trans-104.8139.7173.1-172.441.5000109.7D146 G147N94-D146 PolarHBondContact OD1-O 3.37Å; N94-G147 WeakPolarHBondContact OD1-CA 3.39Å; N94-G147 PolarHBondContact OD1-O 3.43Å
95D94.5Very high93.5Very high0 Ų038.5 Ų38.50%018%0.181CC..EExtended strand (participates in β ladder)trans-134.1113.6176.9-172.2-23.4000110.2H48 P54 H97 F98 G147 V149H48-D95 IonicContact CE1-OD1 2.79Å; H48-D95 IonicContact CE1-OD2 3.69Å; H48-D95 IonicContact ND1-OD2 2.86Å; H48-D95 IonicContact NE2-OD2 2.74Å; H48-D95 PolarHBondContact NE2-OD2 3.5Å; P54-D95 HydrophobicContact CB-CB 3.87Å; P54-D95 VanDerWaalsContact CB-OD1 3.25Å; P54-D95 WeakPolarHBondContact CB-OD1 3.32Å; P54-D95 WeakPolarHBondContact CB-OD2 3.3Å; P54-D95 HydrophobicContact CG-CB 4.12Å; D95-H97 VanDerWaalsContact C-N 3.26Å; D95-H97 PolarHBondContact O-N 3.32Å; D95-H97 WeakPolarHBondContact OD1-CB 3.16Å; D95-H97 IonicContact OD1-CE1 2.78Å; D95-H97 IonicContact OD1-CG 3.5Å; D95-H97 PolarHBondContact OD1-N 2.85Å; D95-H97 IonicContact OD1-ND1 2.86Å; D95-H97 PolarHBondContact OD1-ND1 3.18Å; D95-F98 HydrophobicContact CB-CD2 3.97Å; D95-F98 PolarHBondContact O-N 3.38Å; D95-F98 WeakPolarHBondContact OD2-CD2 3.5Å; D95-F98 WeakPolarHBondContact OD2-CE2 3.35Å; D95-G147 PolarHBondContact N-O 3.32Å; D95-G147 WeakPolarHBondContact O-CA 3.22Å; D95-V149 HydrophobicContact CB-CG2 3.87Å
96Y91.7Very high93Very high61 Ų6140.5 Ų40.524%0.23920%0.202CC..EExtended strand (participates in β ladder)trans-69.5-20-174.168-93.5000113.6S55 A56 F98 L99S55-Y96 VanDerWaalsContact C-CE1 3.42Å; A56-Y96 HydrophobicContact CB-CD1 3.96Å; A56-Y96 HydrophobicContact CB-CE1 4.19Å; A56-Y96 HydrophobicContact CB-CG 4.33Å; Y96-F98 PolarHBondContact O-N 2.85Å; Y96-L99 WeakPolarHBondContact O-CD1 3.48Å; Y96-L99 WeakPolarHBondContact O-CG 3.41Å
97H91Very high92.8Very high5 Ų543.9 Ų43.92%0.02322%0.221CC..EExtended strand (participates in β ladder)trans-66.2-30.5176.8-54.895.1000111.6R44 H48 D95 L99R44-H97 PolarHBondContact NH2-O 3.03Å; H48-H97 HydrophobicContact CB-CB 3.96Å; H48-H97 WeakPolarHBondContact CE1-CB 3.33Å; H48-H97 AromaticContact CE1-CD2 3.7Å; H48-H97 AromaticContact CE1-CE1 3.54Å; H48-H97 AromaticContact CE1-CG 2.92Å; H48-H97 AromaticContact CE1-ND1 2.8Å; H48-H97 PolarHBondContact CE1-ND1 3.44Å; H48-H97 AromaticContact ND1-CG 3.85Å; H48-H97 AromaticContact ND1-ND1 3.8Å; D95-H97 VanDerWaalsContact C-N 3.26Å; D95-H97 PolarHBondContact O-N 3.32Å; D95-H97 WeakPolarHBondContact OD1-CB 3.16Å; D95-H97 IonicContact OD1-CE1 2.78Å; D95-H97 IonicContact OD1-CG 3.5Å; D95-H97 PolarHBondContact OD1-N 2.85Å; D95-H97 IonicContact OD1-ND1 2.86Å; D95-H97 PolarHBondContact OD1-ND1 3.18Å; H97-L99 VanDerWaalsContact C-N 3.34Å; H97-L99 PolarHBondContact O-N 2.83Å
98F92.5Very high92.6Very high0 Ų045.6 Ų45.60%023%0.229CC..EExtended strand (participates in β ladder)trans-95.331.5-175.7-60.9-75.3000114.1L39 F40 H48 D95 Y96 W100 L113 V118 I143L39-F98 HydrophobicContact CB-CD1 4.5Å; L39-F98 HydrophobicContact CD1-CD1 4.26Å; L39-F98 HydrophobicContact CD2-CD1 4.25Å; F40-F98 HydrophobicContact CZ-CE1 4.22Å; F40-F98 HydrophobicContact CZ-CZ 4.5Å; H48-F98 HydrophobicContact CB-CZ 4.22Å; H48-F98 AromaticContact CD2-CZ 3.72Å; H48-F98 AromaticContact CE1-CE2 3.57Å; H48-F98 AromaticContact CG-CE2 3.85Å; H48-F98 AromaticContact CG-CZ 3.57Å; H48-F98 AromaticContact ND1-CE2 3.47Å; H48-F98 WeakPolarHBondContact ND1-CE2 3.32Å; H48-F98 AromaticContact ND1-CZ 3.71Å; H48-F98 AromaticContact NE2-CE2 3.93Å; D95-F98 HydrophobicContact CB-CD2 3.97Å; D95-F98 PolarHBondContact O-N 3.38Å; D95-F98 WeakPolarHBondContact OD2-CD2 3.5Å; D95-F98 WeakPolarHBondContact OD2-CE2 3.35Å; Y96-F98 PolarHBondContact O-N 2.85Å; F98-W100 WeakPolarHBondContact O-CZ3 3.32Å; F98-L113 HydrophobicContact CD1-CD1 4.49Å; F98-L113 HydrophobicContact CE1-CD1 3.88Å; F98-L113 HydrophobicContact CZ-CD1 4.43Å; F98-V118 HydrophobicContact CE2-CG1 3.85Å; F98-V118 HydrophobicContact CZ-CG1 4.27Å; F98-V118 HydrophobicContact CZ-CG2 4.27Å; F98-I143 HydrophobicContact CB-CD1 4.47Å; F98-I143 HydrophobicContact CB-CG2 3.72Å; F98-I143 HydrophobicContact CD1-CD1 3.91Å; F98-I143 HydrophobicContact CD2-CD1 4.03Å; F98-I143 HydrophobicContact CE1-CD1 4.13Å; F98-I143 HydrophobicContact CE2-CD1 4.25Å; F98-I143 HydrophobicContact CG-CD1 3.87Å; F98-I143 HydrophobicContact CG-CG2 4.23Å; F98-I143 HydrophobicContact CZ-CD1 4.29Å
99L92.6Very high92.6Very high84 Ų8445.2 Ų45.244%0.4424%0.236SC..EExtended strand (participates in β ladder)trans-81.6129.6168.5-67.1170000110.8Y96 H97 D146Y96-L99 WeakPolarHBondContact O-CD1 3.48Å; Y96-L99 WeakPolarHBondContact O-CG 3.41Å; H97-L99 VanDerWaalsContact C-N 3.34Å; H97-L99 PolarHBondContact O-N 2.83Å; L99-D146 VanDerWaalsContact CD2-C 3.46Å; L99-D146 WeakPolarHBondContact CD2-O 3.18Å
100W92.5Very high92.6Very high14 Ų1448.6 Ų48.65%0.05326%0.257CS..  trans-147.5156.4169.274.190.8000112.6L35 L39 F98 P102 F105 I108 L111 I143 H145L35-W100 HydrophobicContact CD1-CB 3.82Å; L35-W100 HydrophobicContact CD1-CD2 3.83Å; L35-W100 HydrophobicContact CD1-CE3 4.39Å; L35-W100 HydrophobicContact CD1-CG 3.56Å; L35-W100 HydrophobicContact CD2-CD2 4.13Å; L35-W100 HydrophobicContact CD2-CG 4.42Å; L35-W100 HydrophobicContact CD2-CZ2 4.07Å; L39-W100 HydrophobicContact CD1-CE3 4.29Å; L39-W100 HydrophobicContact CD1-CZ3 4.47Å; L39-W100 HydrophobicContact CD2-CE3 4.25Å; F98-W100 WeakPolarHBondContact O-CZ3 3.32Å; W100-P102 WeakPolarHBondContact O-CD 3.43Å; W100-F105 HydrophobicContact CB-CD2 4.38Å; W100-F105 HydrophobicContact CB-CE2 4.3Å; W100-I108 HydrophobicContact CZ2-CG2 4.44Å; W100-I108 PolarHBondContact NE1-O 2.9Å; W100-L111 HydrophobicContact CH2-CB 3.87Å; W100-L111 HydrophobicContact CZ2-CB 4.34Å; W100-I143 HydrophobicContact CH2-CG2 4.25Å; W100-I143 HydrophobicContact CZ3-CG2 3.92Å; W100-H145 HydrophobicContact CD2-CB 3.84Å; W100-H145 VanDerWaalsContact CE2-CB 3.44Å; W100-H145 HydrophobicContact CE3-CB 4.41Å; W100-H145 HydrophobicContact CG-CB 4.25Å; W100-H145 HydrophobicContact CH2-CB 4.28Å; W100-H145 HydrophobicContact CZ2-CB 3.7Å; W100-H145 PolarHBondContact N-O 3.1Å
101N94.1Very high92.6Very high66 Ų6648.2 Ų48.235%0.35326%0.255SS..  trans-89112.6173.21778.6000110.1K103 E104N101-K103 PolarHBondContact O-N 3.37Å; N101-K103 WeakPolarHBondContact OD1-CB 3.09Å; N101-K103 PolarHBondContact OD1-N 3.14Å; N101-E104 HydrophobicContact CB-CG 4.44Å; N101-E104 WeakPolarHBondContact CB-OE1 3.26Å; N101-E104 PolarHBondContact ND2-OE1 3.22Å; N101-E104 PolarHBondContact O-N 3.01Å; N101-E104 VanDerWaalsContact O-N 3.13Å
102P93.5Very high92.6Very high19 Ų1952.9 Ų52.912%0.12328%0.28CS..G310 helixtrans-54.4-32.7-178.4-29.237.1000113.7W100 E104 F105 G106 N107 I108 T109 H145W100-P102 WeakPolarHBondContact O-CD 3.43Å; P102-E104 PolarHBondContact O-N 3.36Å; P102-F105 CarbonylContact O-C 3.4Å; P102-F105 PolarHBondContact O-N 2.88Å; P102-F105 VanDerWaalsContact O-N 3.11Å; P102-G106 PolarHBondContact O-N 3.15Å; P102-N107 VanDerWaalsContact O-CA 3.24Å; P102-N107 WeakPolarHBondContact O-CA 3.38Å; P102-N107 PolarHBondContact O-N 3.45Å; P102-I108 WeakPolarHBondContact CB-O 3.11Å; P102-T109 HydrophobicContact CB-CG2 4.31Å; P102-T109 HydrophobicContact CG-CG2 4.25Å; P102-H145 HydrophobicContact CG-CB 3.76Å; P102-H145 VanDerWaalsContact CG-CG 3.45Å
103K91.2Very high92.5Very high170 Ų17051.7 Ų51.774%0.73927%0.274SS*.G310 helixtrans-62.7-26.8-176.8-62.4176.1-179.6173.10113.5N101N101-K103 PolarHBondContact O-N 3.37Å; N101-K103 WeakPolarHBondContact OD1-CB 3.09Å; N101-K103 PolarHBondContact OD1-N 3.14Å
104E89.3Confident92.5Very high120 Ų12054.1 Ų54.156%0.56129%0.29SS*.G310 helixtrans-84.3-22.8179.6-70.1168.3-131.600112.5N101 P102N101-E104 HydrophobicContact CB-CG 4.44Å; N101-E104 WeakPolarHBondContact CB-OE1 3.26Å; N101-E104 PolarHBondContact ND2-OE1 3.22Å; N101-E104 PolarHBondContact O-N 3.01Å; N101-E104 VanDerWaalsContact O-N 3.13Å; P102-E104 PolarHBondContact O-N 3.36Å
105F89.9Confident92.3Very high14 Ų1453.3 Ų53.36%0.06128%0.281CS..THydrogen-bonded Turntrans-116.438.9-175.9-58.2-82.9000111.9R34 L35 Y38 W100 P102 N107 I108R34-F105 HydrophobicContact CB-CD1 4.45Å; R34-F105 HydrophobicContact CB-CE1 4.45Å; L35-F105 HydrophobicContact CB-CB 4.28Å; L35-F105 HydrophobicContact CB-CD1 3.61Å; L35-F105 HydrophobicContact CB-CE1 4.14Å; L35-F105 HydrophobicContact CB-CG 4.01Å; L35-F105 HydrophobicContact CD1-CD1 4.07Å; L35-F105 HydrophobicContact CD1-CD2 3.92Å; L35-F105 HydrophobicContact CD1-CE1 4.23Å; L35-F105 HydrophobicContact CD1-CE2 4.1Å; L35-F105 HydrophobicContact CD1-CG 3.9Å; L35-F105 HydrophobicContact CD1-CZ 4.25Å; L35-F105 HydrophobicContact CG-CD1 4.41Å; L35-F105 HydrophobicContact CG-CG 4.42Å; Y38-F105 HydrophobicContact CD1-CE1 4.38Å; Y38-F105 HydrophobicContact CD1-CE2 4.04Å; Y38-F105 AromaticContact CD1-CZ 3.52Å; Y38-F105 HydrophobicContact CD1-CZ 3.52Å; Y38-F105 HydrophobicContact CE1-CE2 4.32Å; Y38-F105 HydrophobicContact CE1-CZ 4.15Å; Y38-F105 HydrophobicContact CG-CE1 4.5Å; Y38-F105 AromaticContact CG-CZ 3.87Å; Y38-F105 HydrophobicContact CG-CZ 3.87Å; W100-F105 HydrophobicContact CB-CD2 4.38Å; W100-F105 HydrophobicContact CB-CE2 4.3Å; P102-F105 CarbonylContact O-C 3.4Å; P102-F105 PolarHBondContact O-N 2.88Å; P102-F105 VanDerWaalsContact O-N 3.11Å; F105-N107 PolarHBondContact O-N 3.15Å; F105-I108 WeakPolarHBondContact O-CD1 3.44Å; F105-I108 VanDerWaalsContact O-CG1 3.23Å; F105-I108 WeakPolarHBondContact O-CG1 3.28Å; F105-I108 PolarHBondContact O-N 3.2Å
106G86Confident92.3Very high42 Ų4257.9 Ų57.943%0.43331%0.309SS..THydrogen-bonded Turntrans70.327.7170.400000115.2P102 I108P102-G106 PolarHBondContact O-N 3.15Å; G106-I108 VanDerWaalsContact C-N 3.28Å; G106-I108 PolarHBondContact O-N 2.8Å
107N91Very high92.3Very high114 Ų11456.2 Ų56.261%0.6131%0.308SS*.THydrogen-bonded Turntrans62.225.4-173.5-62-28.8000115P102 F105 T109P102-N107 VanDerWaalsContact O-CA 3.24Å; P102-N107 WeakPolarHBondContact O-CA 3.38Å; P102-N107 PolarHBondContact O-N 3.45Å; F105-N107 PolarHBondContact O-N 3.15Å; N107-T109 PolarHBondContact O-N 3.2Å
108I90.7Very high92.4Very high37 Ų3756.1 Ų56.119%0.1931%0.308CS..  trans-64114.9167.1-65.1169.7000108.8E32 L35 W100 P102 F105 G106 T110E32-I108 HydrophobicContact CB-CD1 3.75Å; E32-I108 HydrophobicContact CG-CD1 4.38Å; L35-I108 HydrophobicContact CD2-CB 4.38Å; L35-I108 HydrophobicContact CD2-CG2 3.83Å; W100-I108 HydrophobicContact CZ2-CG2 4.44Å; W100-I108 PolarHBondContact NE1-O 2.9Å; P102-I108 WeakPolarHBondContact CB-O 3.11Å; F105-I108 WeakPolarHBondContact O-CD1 3.44Å; F105-I108 VanDerWaalsContact O-CG1 3.23Å; F105-I108 WeakPolarHBondContact O-CG1 3.28Å; F105-I108 PolarHBondContact O-N 3.2Å; G106-I108 VanDerWaalsContact C-N 3.28Å; G106-I108 PolarHBondContact O-N 2.8Å; I108-T110 VanDerWaalsContact CG2-O 3.24Å; I108-T110 WeakPolarHBondContact CG2-O 3.25Å
109T94.2Very high92.5Very high71 Ų7156.4 Ų56.444%0.43631%0.309SS..  trans-102.7-20.5179.3490000113.6P102 N107 K144 H145P102-T109 HydrophobicContact CB-CG2 4.31Å; P102-T109 HydrophobicContact CG-CG2 4.25Å; N107-T109 PolarHBondContact O-N 3.2Å; T109-K144 WeakPolarHBondContact O-CA 3.35Å; T109-H145 PolarHBondContact O-N 3.35Å
110T95.1Very high92.5Very high73 Ų7356.5 Ų56.545%0.44830%0.303SS..EExtended strand (participates in β ladder)trans-134149.3179.550.70000111.2I108 I143 K144I108-T110 VanDerWaalsContact CG2-O 3.24Å; I108-T110 WeakPolarHBondContact CG2-O 3.25Å; T110-I143 CarbonylContact C-O 3.6Å; T110-I143 VanDerWaalsContact CA-O 3.24Å; T110-I143 WeakPolarHBondContact CA-O 3.41Å; T110-K144 HydrophobicContact CG2-CG 4.22Å
111L94Very high92.6Very high2 Ų256 Ų561%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-139.9133.3-179.6-175.166.2000109.6E32 L35 L36 L39 W100 L113 I143E32-L111 HydrophobicContact CG-CD1 3.89Å; L35-L111 HydrophobicContact CD2-CD2 4.34Å; L36-L111 HydrophobicContact CD2-CD1 4.2Å; L36-L111 HydrophobicContact CD2-CD2 4.04Å; L36-L111 HydrophobicContact CG-CD1 4.41Å; L39-L111 HydrophobicContact CD1-CD2 3.47Å; L39-L111 VanDerWaalsContact CD1-CD2 3.47Å; W100-L111 HydrophobicContact CH2-CB 3.87Å; W100-L111 HydrophobicContact CZ2-CB 4.34Å; L111-L113 HydrophobicContact CD2-CD1 4.31Å; L111-L113 HydrophobicContact CD2-CD2 3.93Å; L111-L113 HydrophobicContact CD2-CG 4.18Å; L111-L113 HydrophobicContact CG-CD2 3.93Å; L111-L113 HydrophobicContact CG-CG 4.17Å; L111-I143 PolarHBondContact N-O 3.02Å; L111-I143 PolarHBondContact O-N 3.26Å
112N94.7Very high92.4Very high97 Ų9754.7 Ų54.752%0.51930%0.295SS..EExtended strand (participates in β ladder)trans-103.3114.6-179.7-67.4-12.1000109.8T141N112-T141 WeakPolarHBondContact CA-O 3.43Å
113L94.2Very high92.3Very high6 Ų654.8 Ų54.83%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-115.9151.1-178.2-62.7-172.5000111.6L36 F40 F98 L111 V118 N140 T141 I143L36-L113 HydrophobicContact CD2-CD2 3.58Å; F40-L113 HydrophobicContact CE2-CD1 3.98Å; F40-L113 HydrophobicContact CE2-CD2 4.39Å; F40-L113 HydrophobicContact CZ-CD1 3.9Å; F98-L113 HydrophobicContact CD1-CD1 4.49Å; F98-L113 HydrophobicContact CE1-CD1 3.88Å; F98-L113 HydrophobicContact CZ-CD1 4.43Å; L111-L113 HydrophobicContact CD2-CD1 4.31Å; L111-L113 HydrophobicContact CD2-CD2 3.93Å; L111-L113 HydrophobicContact CD2-CG 4.18Å; L111-L113 HydrophobicContact CG-CD2 3.93Å; L111-L113 HydrophobicContact CG-CG 4.17Å; L113-V118 HydrophobicContact CB-CG2 3.91Å; L113-V118 HydrophobicContact CD1-CG2 3.9Å; L113-N140 CarbonylContact O-C 3.58Å; L113-N140 VanDerWaalsContact O-CA 3.24Å; L113-N140 WeakPolarHBondContact O-CA 3.04Å; L113-N140 VanDerWaalsContact O-CB 3.29Å; L113-N140 WeakPolarHBondContact O-CB 3.41Å; L113-T141 PolarHBondContact N-O 3.46Å; L113-T141 PolarHBondContact O-N 3.47Å; L113-T141 PolarHBondContact O-OG1 2.91Å; L113-I143 HydrophobicContact CD1-CD1 3.64Å; L113-I143 HydrophobicContact CG-CD1 4.23Å
114P95.1Very high92.4Very high56 Ų5648.6 Ų48.636%0.36427%0.269SS..EExtended strand (participates in β ladder)trans-68.5140.3171.129.4-33.7000110.2T116 A117P114-T116 PolarHBondContact O-N 3.15Å; P114-A117 HydrophobicContact CG-CB 3.97Å; P114-A117 PolarHBondContact O-N 2.8Å
115Y91.1Very high92.6Very high69 Ų6943 Ų4327%0.27124%0.243SC..THydrogen-bonded Turntrans-57.1-11.3179.871.5-81.9000115.4P138 T139Y115-P138 HydrophobicContact CD1-CB 4.22Å; Y115-P138 HydrophobicContact CE1-CB 3.38Å; Y115-T139 WeakPolarHBondContact CB-O 3.28Å; Y115-T139 WeakPolarHBondContact CD1-O 3.36Å
116T92.9Very high92.8Very high95 Ų9544.9 Ų44.958%0.58325%0.25SC*.THydrogen-bonded Turntrans-88.2-10176.159.10000113.8P114P114-T116 PolarHBondContact O-N 3.15Å
117A92.4Very high93.2Very high26 Ų2644.5 Ų44.522%0.21524%0.238CC..SBendtrans-1066.7-177.500000113.2F40 P114F40-A117 HydrophobicContact CE1-CB 4.43Å; F40-A117 WeakPolarHBondContact CE1-O 3.25Å; F40-A117 HydrophobicContact CZ-CB 4.08Å; P114-A117 HydrophobicContact CG-CB 3.97Å; P114-A117 PolarHBondContact O-N 2.8Å
118V93.5Very high93.3Very high4 Ų440.1 Ų40.12%0.02422%0.216CC..SBendtrans-137.9143.6-174.9-170.10000107.1F98 L113 I143 V149F98-V118 HydrophobicContact CE2-CG1 3.85Å; F98-V118 HydrophobicContact CZ-CG1 4.27Å; F98-V118 HydrophobicContact CZ-CG2 4.27Å; L113-V118 HydrophobicContact CB-CG2 3.91Å; L113-V118 HydrophobicContact CD1-CG2 3.9Å; V118-I143 HydrophobicContact CG1-CD1 4.31Å; V118-I143 HydrophobicContact CG2-CD1 4.06Å; V118-V149 HydrophobicContact CG1-CG1 4.36Å
119W94.7Very high93.4Very high6 Ų640 Ų402%0.02322%0.221CC..  trans-62147.3169.7177.891.3000110.5H48 P50 E52 R53 P54 L62 W93 P121 Y184 I189H48-W119 VanDerWaalsContact NE2-CB 3.29Å; H48-W119 WeakPolarHBondContact NE2-CB 3.45Å; H48-W119 PolarHBondContact NE2-N 3.32Å; P50-W119 WeakPolarHBondContact O-CA 3.44Å; E52-W119 VanDerWaalsContact C-CD1 3.46Å; E52-W119 WeakPolarHBondContact O-CB 3.38Å; E52-W119 VanDerWaalsContact O-CG 3.25Å; R53-W119 HydrophobicContact CB-CZ2 4.38Å; R53-W119 HydrophobicContact CG-CZ2 4.2Å; P54-W119 HydrophobicContact CG-CD2 4.27Å; P54-W119 HydrophobicContact CG-CE3 3.79Å; P54-W119 HydrophobicContact CG-CZ3 4.34Å; L62-W119 HydrophobicContact CD2-CE3 4.24Å; L62-W119 HydrophobicContact CD2-CH2 3.46Å; L62-W119 VanDerWaalsContact CD2-CH2 3.46Å; L62-W119 HydrophobicContact CD2-CZ2 4.35Å; L62-W119 HydrophobicContact CD2-CZ3 3.39Å; W93-W119 WeakPolarHBondContact CZ2-O 3.29Å; W93-W119 AromaticContact NE1-CE3 3.92Å; W119-P121 HydrophobicContact CH2-CB 3.89Å; W119-P121 HydrophobicContact CH2-CG 4.49Å; W119-P121 HydrophobicContact CZ3-CB 4.39Å; W119-Y184 HydrophobicContact CZ2-CE2 4.11Å; W119-Y184 PolarHBondContact NE1-OH 2.99Å; W119-I189 HydrophobicContact CH2-CD1 3.74Å; W119-I189 HydrophobicContact CZ2-CD1 3.82Å
120R93.1Very high93Very high85 Ų8538.1 Ų38.132%0.32121%0.208SC..  trans-146.1146.7178.164.8-174.7-172.8141.19.9111.4W93 W151W93-R120 HydrophobicContact CH2-CB 4.43Å; R120-W151 HydrophobicContact CB-CE3 4.19Å; R120-W151 HydrophobicContact CB-CZ3 4.19Å; R120-W151 HydrophobicContact CG-CZ3 4.42Å
121P93.3Very high92.4Very high4 Ų443.7 Ų43.73%0.02623%0.229CC..  trans-69.2146.1175.729.1-34.5000111.8V64 L91 W119 I123 I189 F191V64-P121 HydrophobicContact CG1-CG 4.38Å; L91-P121 HydrophobicContact CD1-CG 4.48Å; W119-P121 HydrophobicContact CH2-CB 3.89Å; W119-P121 HydrophobicContact CH2-CG 4.49Å; W119-P121 HydrophobicContact CZ3-CB 4.39Å; P121-I123 VanDerWaalsContact C-N 3.29Å; P121-I123 HydrophobicContact CB-CG1 4.11Å; P121-I123 HydrophobicContact CG-CD1 4.24Å; P121-I123 HydrophobicContact CG-CG1 4.24Å; P121-I123 PolarHBondContact O-N 3.34Å; P121-I123 VanDerWaalsContact O-N 3.11Å; P121-I189 HydrophobicContact CB-CD1 4.34Å; P121-F191 HydrophobicContact CB-CE1 4.32Å
122D90.2Very high91.8Very high39 Ų3950.4 Ų50.421%0.20926%0.258CS..  trans-87.554.4-176.567.2-31.2000112.8L124 S181 W182 T183 Y184D122-L124 PolarHBondContact O-N 3.4Å; D122-L124 VanDerWaalsContact O-N 3.17Å; D122-S181 WeakPolarHBondContact OD1-CB 3.3Å; D122-S181 PolarHBondContact OD1-OG 2.89Å; D122-W182 PolarHBondContact O-N 2.86Å; D122-W182 WeakPolarHBondContact OD2-CA 3.23Å; D122-W182 WeakPolarHBondContact OD2-CB 3.25Å; D122-W182 PolarHBondContact OD2-N 3.43Å; D122-T183 WeakPolarHBondContact OD2-CB 3.49Å; D122-T183 PolarHBondContact OD2-N 2.92Å; D122-T183 PolarHBondContact OD2-OG1 2.89Å; D122-Y184 WeakPolarHBondContact OD1-CD2 3.47Å
123I91.4Very high90.9Very high20 Ų2051.1 Ų51.110%0.10326%0.257CS..EExtended strand (participates in β ladder)trans-71.6110.9-177.4-53.1-176.3000110.5M89 L91 P121 F179 G180 F191M89-I123 HydrophobicContact SD-CG2 4.49Å; L91-I123 HydrophobicContact CD1-CD1 3.76Å; L91-I123 HydrophobicContact CD2-CD1 3.46Å; L91-I123 VanDerWaalsContact CD2-CD1 3.46Å; L91-I123 HydrophobicContact CG-CD1 4.26Å; P121-I123 VanDerWaalsContact C-N 3.29Å; P121-I123 HydrophobicContact CB-CG1 4.11Å; P121-I123 HydrophobicContact CG-CD1 4.24Å; P121-I123 HydrophobicContact CG-CG1 4.24Å; P121-I123 PolarHBondContact O-N 3.34Å; P121-I123 VanDerWaalsContact O-N 3.11Å; I123-F179 HydrophobicContact CG2-CB 4.06Å; I123-F179 HydrophobicContact CG2-CD1 4.21Å; I123-G180 WeakPolarHBondContact CA-O 3.19Å; I123-F191 HydrophobicContact CD1-CD1 4.19Å; I123-F191 HydrophobicContact CD1-CE1 3.54Å; I123-F191 HydrophobicContact CD1-CZ 4.14Å; I123-F191 HydrophobicContact CG1-CE1 3.72Å; I123-F191 HydrophobicContact CG1-CZ 3.8Å
124L92.6Very high90.1Very high41 Ų4154.6 Ų54.622%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-116.8155.3177.5-63.3-175.3000112.1D122 F179 G180 W182D122-L124 PolarHBondContact O-N 3.4Å; D122-L124 VanDerWaalsContact O-N 3.17Å; L124-F179 WeakPolarHBondContact O-CA 3.16Å; L124-G180 PolarHBondContact N-O 3.06Å; L124-G180 PolarHBondContact O-N 2.88Å; L124-G180 VanDerWaalsContact O-N 3.08Å; L124-W182 HydrophobicContact CD1-CB 3.96Å; L124-W182 HydrophobicContact CD1-CD2 4.41Å; L124-W182 HydrophobicContact CD1-CG 4.15Å
125L94.6Very high89.3Confident1 Ų155.2 Ų55.21%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-84.9112.3170.5178.567.6000109.8N127 C128 F157 K158 L177 F179L125-N127 WeakPolarHBondContact CD1-OD1 3.38Å; L125-C128 HydrophobicContact CB-CB 4.39Å; L125-C128 HydrophobicContact CD2-CB 4.12Å; L125-C128 HydrophobicContact CG-CB 4.24Å; L125-C128 WeakPolarHBondContact O-CB 3.26Å; L125-C128 PolarHBondContact O-N 2.7Å; L125-F157 HydrophobicContact CB-CD1 4.35Å; L125-F157 HydrophobicContact CD2-CB 4.15Å; L125-F157 HydrophobicContact CD2-CD1 4.23Å; L125-K158 WeakPolarHBondContact CD2-O 3.49Å; L125-L177 HydrophobicContact CD1-CB 3.88Å; L125-L177 HydrophobicContact CD1-CD2 4.42Å; L125-F179 HydrophobicContact CB-CD1 4.41Å; L125-F179 HydrophobicContact CB-CE1 4.15Å; L125-F179 HydrophobicContact CD1-CE1 4.27Å; L125-F179 HydrophobicContact CD1-CE2 4.31Å; L125-F179 HydrophobicContact CD1-CZ 4.15Å
126Y92.9Very high89.1Confident54 Ų5453.2 Ų53.221%0.21227%0.265CS..THydrogen-bonded Turntrans-69.7-36.9-174.4-79.843.2000112.3C128 K178 S181 W182Y126-C128 VanDerWaalsContact C-N 3.32Å; Y126-C128 PolarHBondContact O-N 3.31Å; Y126-K178 HydrophobicContact CD2-CD 4.17Å; Y126-K178 HydrophobicContact CG-CD 4.21Å; Y126-K178 HydrophobicContact CG-CG 4.28Å; Y126-K178 PolarHBondContact N-O 3.41Å; Y126-S181 PolarHBondContact OH-O 3.05Å; Y126-W182 HydrophobicContact CE1-CE3 4.43Å
127N94.7Very high88.9Confident35 Ų3554.5 Ų54.519%0.18726%0.263CS..THydrogen-bonded Turntrans-97.640.9177.868.6-54.7000112.1L125 S159 T160 I176 K178L125-N127 WeakPolarHBondContact CD1-OD1 3.38Å; N127-S159 CarbonylContact O-C 3.58Å; N127-S159 VanDerWaalsContact O-CA 3.32Å; N127-S159 WeakPolarHBondContact O-CA 3.4Å; N127-T160 PolarHBondContact ND2-O 2.6Å; N127-T160 VanDerWaalsContact ND2-O 3.13Å; N127-T160 PolarHBondContact O-N 3.29Å; N127-I176 PolarHBondContact ND2-O 2.99Å; N127-K178 PolarHBondContact OD1-N 2.83Å
128C94.8Very high88.7Confident22 Ų2257.7 Ų57.715%0.14928%0.282CS..BIsolated β-bridgetrans-66.6135.1177-166.40000111.3L125 Y126 F133 K158L125-C128 HydrophobicContact CB-CB 4.39Å; L125-C128 HydrophobicContact CD2-CB 4.12Å; L125-C128 HydrophobicContact CG-CB 4.24Å; L125-C128 WeakPolarHBondContact O-CB 3.26Å; L125-C128 PolarHBondContact O-N 2.7Å; Y126-C128 VanDerWaalsContact C-N 3.32Å; Y126-C128 PolarHBondContact O-N 3.31Å; C128-F133 HydrophobicContact CB-CD1 3.84Å; C128-F133 HydrophobicContact CB-CE1 4.09Å; C128-K158 WeakPolarHBondContact CA-O 3.38Å
129A91.7Very high88.7Confident35 Ų3559.2 Ų59.229%0.28929%0.291SS..  trans-104.923.1179.100000113.1V82 K158 T160V82-A129 HydrophobicContact CB-CB 4.34Å; V82-A129 HydrophobicContact CG1-CB 3.81Å; V82-A129 HydrophobicContact CG2-CB 3.62Å; A129-K158 HydrophobicContact CB-CB 4.47Å; A129-K158 PolarHBondContact N-O 3.03Å; A129-T160 HydrophobicContact CB-CG2 3.72Å
130D86Confident88.8Confident31 Ų3163.6 Ų63.617%0.16632%0.315CS..SBendtrans-133.2151.3-173.6-160.483.8000112K132 R135 K158D130-K132 PolarHBondContact O-N 3.43Å; D130-K132 VanDerWaalsContact O-N 3.07Å; D130-K132 PolarHBondContact OD2-N 3.31Å; D130-R135 VanDerWaalsContact CG-CZ 3.45Å; D130-R135 IonicContact OD1-CZ 3.97Å; D130-R135 IonicContact OD1-NE 2.7Å; D130-R135 IonicContact OD1-NH2 2.89Å; D130-R135 PolarHBondContact OD1-NH2 3.49Å; D130-R135 IonicContact OD2-CZ 3.45Å; D130-R135 IonicContact OD2-NE 3.54Å; D130-R135 PolarHBondContact OD2-NE 3.38Å; D130-R135 IonicContact OD2-NH2 2.77Å; D130-R135 PolarHBondContact OD2-NH2 3.14Å; D130-K158 HydrophobicContact CB-CB 4.25Å; D130-K158 HydrophobicContact CB-CD 3.75Å; D130-K158 WeakPolarHBondContact OD1-CD 3.37Å; D130-K158 WeakPolarHBondContact OD1-CE 3.25Å; D130-K158 IonicContact OD1-NZ 3.17Å; D130-K158 PolarHBondContact OD1-NZ 3.44Å
131E82.1Confident88.9Confident189 Ų18959.6 Ų59.688%0.88330%0.3SS*.SBendtrans-58-22.8178.6-60.1179173.100113.4
132K82.3Confident89.1Confident144 Ų14462.9 Ų62.963%0.62632%0.317SS*.  trans-113.4108.4178.1-65.7-178.7-178.81790110.5D130 R135D130-K132 PolarHBondContact O-N 3.43Å; D130-K132 VanDerWaalsContact O-N 3.07Å; D130-K132 PolarHBondContact OD2-N 3.31Å; K132-R135 HydrophobicContact CB-CG 4.45Å
133F75.8Confident89.4Confident112 Ų11261 Ų6149%0.49131%0.307SS..SBendtrans-64.9-40.3176.4-71.8-89.3000113.2C128C128-F133 HydrophobicContact CB-CD1 3.84Å; C128-F133 HydrophobicContact CB-CE1 4.09Å
134D77Confident89.6Confident78 Ų7863.6 Ų63.642%0.41732%0.317SS..  trans-89.2115.7171-170-0.9000110T136D134-T136 WeakPolarHBondContact OD1-CB 3.2Å; D134-T136 PolarHBondContact OD1-N 3.49Å; D134-T136 PolarHBondContact OD1-OG1 2.94Å
135R77.4Confident89.7Confident70 Ų7065 Ų6526%0.26432%0.322SS..  trans-126.823.5172.8-73.6178.6154.6-118-4.1111.6D130 K132 G155 L156D130-R135 VanDerWaalsContact CG-CZ 3.45Å; D130-R135 IonicContact OD1-CZ 3.97Å; D130-R135 IonicContact OD1-NE 2.7Å; D130-R135 IonicContact OD1-NH2 2.89Å; D130-R135 PolarHBondContact OD1-NH2 3.49Å; D130-R135 IonicContact OD2-CZ 3.45Å; D130-R135 IonicContact OD2-NE 3.54Å; D130-R135 PolarHBondContact OD2-NE 3.38Å; D130-R135 IonicContact OD2-NH2 2.77Å; D130-R135 PolarHBondContact OD2-NH2 3.14Å; K132-R135 HydrophobicContact CB-CG 4.45Å; R135-G155 WeakPolarHBondContact O-CA 3.46Å; R135-L156 WeakPolarHBondContact CB-O 3.42Å; R135-L156 WeakPolarHBondContact CD-O 3.5Å; R135-L156 PolarHBondContact O-N 2.98Å
136T87.1Confident89.8Confident27 Ų2768.4 Ų68.417%0.16634%0.341CS..BIsolated β-bridgetrans-72.1136.4169.9620000110.1M89 D134 P153 F157M89-T136 HydrophobicContact CE-CG2 3.74Å; D134-T136 WeakPolarHBondContact OD1-CB 3.2Å; D134-T136 PolarHBondContact OD1-N 3.49Å; D134-T136 PolarHBondContact OD1-OG1 2.94Å; T136-P153 HydrophobicContact CG2-CB 4.26Å; T136-F157 HydrophobicContact CG2-CZ 4.32Å
137F88.3Confident89.8Confident121 Ų12165.9 Ų65.953%0.53133%0.331SS..  trans-81.2142.1173.5-70.4-86.3000110.3T139 P154 L156F137-T139 PolarHBondContact O-N 3.45Å; F137-T139 VanDerWaalsContact O-N 3.11Å; F137-P154 HydrophobicContact CB-CG 4.11Å; F137-P154 HydrophobicContact CD2-CG 4.31Å; F137-P154 WeakPolarHBondContact CD2-O 3.26Å; F137-P154 PolarHBondContact N-O 3.24Å; F137-L156 HydrophobicContact CE2-CB 4.33Å
138P89.6Confident89.8Confident94 Ų9465.6 Ų65.661%0.6133%0.33SS*.  trans-66.7110.8-179.726.4-34.2000111.3Y115Y115-P138 HydrophobicContact CD1-CB 4.22Å; Y115-P138 HydrophobicContact CE1-CB 3.38Å
139T93.7Very high89.9Confident36 Ų3664.6 Ų64.622%0.22132%0.323CS..  trans-120.7157.6174.656.10000111.2Y115 F137 W151 P154Y115-T139 WeakPolarHBondContact CB-O 3.28Å; Y115-T139 WeakPolarHBondContact CD1-O 3.36Å; F137-T139 PolarHBondContact O-N 3.45Å; F137-T139 VanDerWaalsContact O-N 3.11Å; T139-W151 PolarHBondContact OG1-NE1 2.85Å; T139-W151 VanDerWaalsContact OG1-NE1 3.07Å; T139-P154 HydrophobicContact CG2-CG 4.43Å
140N95.8Very high90.1Very high97 Ų9764.9 Ų64.952%0.51932%0.319SS..EExtended strand (participates in β ladder)trans-75.9149.5172.4-71.1-8.5000110.9L113L113-N140 CarbonylContact O-C 3.58Å; L113-N140 VanDerWaalsContact O-CA 3.24Å; L113-N140 WeakPolarHBondContact O-CA 3.04Å; L113-N140 VanDerWaalsContact O-CB 3.29Å; L113-N140 WeakPolarHBondContact O-CB 3.41Å
141T95.8Very high90.6Very high1 Ų163.9 Ų63.91%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-81.4148.6165.260.40000109.5N112 L113 V149 Q150 W151N112-T141 WeakPolarHBondContact CA-O 3.43Å; L113-T141 PolarHBondContact N-O 3.46Å; L113-T141 PolarHBondContact O-N 3.47Å; L113-T141 PolarHBondContact O-OG1 2.91Å; T141-V149 HydrophobicContact CG2-CG1 4.41Å; T141-Q150 WeakPolarHBondContact CA-O 3.32Å; T141-W151 HydrophobicContact CG2-CB 4Å; T141-W151 HydrophobicContact CG2-CG 3.9Å
142I96.7Very high91.2Very high74 Ų7458.2 Ų58.238%0.37929%0.287SS..EExtended strand (participates in β ladder)trans-110.9115.2172.3-55.5176.7000106.8Q150I142-Q150 PolarHBondContact N-O 3.41Å; I142-Q150 PolarHBondContact O-N 3.49Å
143I96.2Very high91.8Very high0 Ų051.3 Ų51.30%026%0.257CS..EExtended strand (participates in β ladder)trans-106.5135.6-179.9-52.4-168000109.3F98 W100 T110 L111 L113 V118 V149F98-I143 HydrophobicContact CB-CD1 4.47Å; F98-I143 HydrophobicContact CB-CG2 3.72Å; F98-I143 HydrophobicContact CD1-CD1 3.91Å; F98-I143 HydrophobicContact CD2-CD1 4.03Å; F98-I143 HydrophobicContact CE1-CD1 4.13Å; F98-I143 HydrophobicContact CE2-CD1 4.25Å; F98-I143 HydrophobicContact CG-CD1 3.87Å; F98-I143 HydrophobicContact CG-CG2 4.23Å; F98-I143 HydrophobicContact CZ-CD1 4.29Å; W100-I143 HydrophobicContact CH2-CG2 4.25Å; W100-I143 HydrophobicContact CZ3-CG2 3.92Å; T110-I143 CarbonylContact C-O 3.6Å; T110-I143 VanDerWaalsContact CA-O 3.24Å; T110-I143 WeakPolarHBondContact CA-O 3.41Å; L111-I143 PolarHBondContact N-O 3.02Å; L111-I143 PolarHBondContact O-N 3.26Å; L113-I143 HydrophobicContact CD1-CD1 3.64Å; L113-I143 HydrophobicContact CG-CD1 4.23Å; V118-I143 HydrophobicContact CG1-CD1 4.31Å; V118-I143 HydrophobicContact CG2-CD1 4.06Å; I143-V149 HydrophobicContact CD1-CG2 4.11Å; I143-V149 HydrophobicContact CG1-CG1 4.17Å; I143-V149 HydrophobicContact CG1-CG2 4.07Å; I143-V149 HydrophobicContact CG2-CG2 4.25Å
144K96.8Very high92.7Very high74 Ų7447.5 Ų47.532%0.32224%0.244SC..EExtended strand (participates in β ladder)trans-99.7154.7172.1-63.9175.3-165.61600110.5T109 T110 D146 G147 T148T109-K144 WeakPolarHBondContact O-CA 3.35Å; T110-K144 HydrophobicContact CG2-CG 4.22Å; K144-D146 VanDerWaalsContact CB-OD1 3.24Å; K144-D146 WeakPolarHBondContact CB-OD1 3.37Å; K144-D146 PolarHBondContact O-N 2.89Å; K144-G147 PolarHBondContact O-N 3.12Å; K144-G147 VanDerWaalsContact O-N 3.08Å; K144-T148 HydrophobicContact CD-CG2 4.49Å; K144-T148 PolarHBondContact N-O 3.07Å
145H95.3Very high93.5Very high69 Ų6943.8 Ų43.832%0.31922%0.224SC..THydrogen-bonded Turntrans-61.9-9.4-179.476.674.2000115.4W100 P102 T109W100-H145 HydrophobicContact CD2-CB 3.84Å; W100-H145 VanDerWaalsContact CE2-CB 3.44Å; W100-H145 HydrophobicContact CE3-CB 4.41Å; W100-H145 HydrophobicContact CG-CB 4.25Å; W100-H145 HydrophobicContact CH2-CB 4.28Å; W100-H145 HydrophobicContact CZ2-CB 3.7Å; W100-H145 PolarHBondContact N-O 3.1Å; P102-H145 HydrophobicContact CG-CB 3.76Å; P102-H145 VanDerWaalsContact CG-CG 3.45Å; T109-H145 PolarHBondContact O-N 3.35Å
146D94.9Very high94.3Very high74 Ų7442.8 Ų42.840%0.39622%0.223SC..EExtended strand (participates in β ladder)trans-92.84.3178.561.312.7000113.2N94 L99 K144 T148N94-D146 PolarHBondContact OD1-O 3.37Å; L99-D146 VanDerWaalsContact CD2-C 3.46Å; L99-D146 WeakPolarHBondContact CD2-O 3.18Å; K144-D146 VanDerWaalsContact CB-OD1 3.24Å; K144-D146 WeakPolarHBondContact CB-OD1 3.37Å; K144-D146 PolarHBondContact O-N 2.89Å; D146-T148 VanDerWaalsContact CG-OG1 3.3Å; D146-T148 WeakPolarHBondContact OD1-CB 3.46Å; D146-T148 PolarHBondContact OD1-N 2.9Å; D146-T148 PolarHBondContact OD1-OG1 3.11Å; D146-T148 PolarHBondContact OD2-OG1 2.87Å
147G93Very high94.7Very high0 Ų042 Ų420%022%0.218CC..EExtended strand (participates in β ladder)trans90.2-8.1-176.500000113.8N94 D95 K144 V149N94-G147 WeakPolarHBondContact OD1-CA 3.39Å; N94-G147 PolarHBondContact OD1-O 3.43Å; D95-G147 PolarHBondContact N-O 3.32Å; D95-G147 WeakPolarHBondContact O-CA 3.22Å; K144-G147 PolarHBondContact O-N 3.12Å; K144-G147 VanDerWaalsContact O-N 3.08Å; G147-V149 PolarHBondContact O-N 3.33Å; G147-V149 VanDerWaalsContact O-N 3.14Å
148T96.2Very high95Very high30 Ų3039 Ų3918%0.18421%0.205CC..EExtended strand (participates in β ladder)trans-67.5114.9178.3-48.80000110.5I92 K144 D146I92-T148 HydrophobicContact CG2-CG2 3.61Å; K144-T148 HydrophobicContact CD-CG2 4.49Å; K144-T148 PolarHBondContact N-O 3.07Å; D146-T148 VanDerWaalsContact CG-OG1 3.3Å; D146-T148 WeakPolarHBondContact OD1-CB 3.46Å; D146-T148 PolarHBondContact OD1-N 2.9Å; D146-T148 PolarHBondContact OD1-OG1 3.11Å; D146-T148 PolarHBondContact OD2-OG1 2.87Å
149V96.4Very high95.3Very high0 Ų034.6 Ų34.60%018%0.176CC..EExtended strand (participates in β ladder)trans-98.5128.9170.2-175.70000108.8I92 W93 D95 V118 T141 I143 G147I92-V149 WeakPolarHBondContact CA-O 3.49Å; W93-V149 HydrophobicContact CD2-CB 4.1Å; W93-V149 HydrophobicContact CD2-CG1 4.38Å; W93-V149 HydrophobicContact CH2-CB 4.46Å; W93-V149 HydrophobicContact CH2-CG1 3.7Å; W93-V149 HydrophobicContact CZ2-CB 3.86Å; W93-V149 HydrophobicContact CZ2-CG1 3.32Å; W93-V149 HydrophobicContact CZ3-CG1 4.35Å; W93-V149 PolarHBondContact N-O 2.88Å; W93-V149 PolarHBondContact O-N 3.15Å; D95-V149 HydrophobicContact CB-CG2 3.87Å; V118-V149 HydrophobicContact CG1-CG1 4.36Å; T141-V149 HydrophobicContact CG2-CG1 4.41Å; I143-V149 HydrophobicContact CD1-CG2 4.11Å; I143-V149 HydrophobicContact CG1-CG1 4.17Å; I143-V149 HydrophobicContact CG1-CG2 4.07Å; I143-V149 HydrophobicContact CG2-CG2 4.25Å; G147-V149 PolarHBondContact O-N 3.33Å; G147-V149 VanDerWaalsContact O-N 3.14Å
150Q96.4Very high95.4Very high42 Ų4236 Ų3620%0.19618%0.184CC..EExtended strand (participates in β ladder)trans-116.2129.5171.3-177.8168.81600109.6D90 L91 I92 T141 I142D90-Q150 VanDerWaalsContact CG-NE2 3.33Å; D90-Q150 WeakPolarHBondContact OD1-CG 3.35Å; D90-Q150 PolarHBondContact OD1-NE2 3.39Å; D90-Q150 PolarHBondContact OD2-NE2 3.4Å; D90-Q150 VanDerWaalsContact OD2-NE2 3.11Å; L91-Q150 CarbonylContact O-C 3.5Å; L91-Q150 WeakPolarHBondContact O-CA 3.3Å; I92-Q150 HydrophobicContact CD1-CG 4.4Å; I92-Q150 HydrophobicContact CG1-CB 4.14Å; I92-Q150 HydrophobicContact CG1-CG 3.85Å; T141-Q150 WeakPolarHBondContact CA-O 3.32Å; I142-Q150 PolarHBondContact N-O 3.41Å; I142-Q150 PolarHBondContact O-N 3.49Å
151W95.9Very high95.4Very high9 Ų931.5 Ų31.53%0.03416%0.161CC..EExtended strand (participates in β ladder)trans-130.2122.6174.7-173.236.9000109.5L91 W93 R120 T139 T141 P153L91-W151 WeakPolarHBondContact CB-O 3.36Å; L91-W151 HydrophobicContact CD1-CE3 3.85Å; L91-W151 HydrophobicContact CD1-CZ3 4.13Å; L91-W151 PolarHBondContact N-O 3.4Å; L91-W151 PolarHBondContact O-N 3.18Å; W93-W151 HydrophobicContact CH2-CB 3.76Å; W93-W151 HydrophobicContact CZ3-CB 3.81Å; R120-W151 HydrophobicContact CB-CE3 4.19Å; R120-W151 HydrophobicContact CB-CZ3 4.19Å; R120-W151 HydrophobicContact CG-CZ3 4.42Å; T139-W151 PolarHBondContact OG1-NE1 2.85Å; T139-W151 VanDerWaalsContact OG1-NE1 3.07Å; T141-W151 HydrophobicContact CG2-CB 4Å; T141-W151 HydrophobicContact CG2-CG 3.9Å; W151-P153 VanDerWaalsContact C-CD 3.4Å; W151-P153 HydrophobicContact CD2-CG 3.97Å; W151-P153 HydrophobicContact CE3-CG 4.19Å; W151-P153 HydrophobicContact CH2-CB 4.29Å; W151-P153 HydrophobicContact CH2-CG 3.89Å; W151-P153 HydrophobicContact CZ2-CB 3.74Å; W151-P153 HydrophobicContact CZ2-CG 3.71Å; W151-P153 HydrophobicContact CZ3-CG 4.16Å; W151-P153 WeakPolarHBondContact O-CD 3.47Å
152M94.8Very high95.2Very high70 Ų7037.1 Ų37.135%0.34519%0.19SC..  trans-120.773.1-179.1-165.5-173.5-7000111.4F69 W88 M89 D90 P154F69-M152 HydrophobicContact CE2-CE 4.46Å; W88-M152 HydrophobicContact CE3-SD 4.36Å; M89-M152 WeakPolarHBondContact O-CA 3.48Å; D90-M152 HydrophobicContact CB-CE 3.85Å; D90-M152 HydrophobicContact CB-CG 4.25Å; D90-M152 VanDerWaalsContact CG-CE 3.48Å; M152-P154 WeakPolarHBondContact O-CD 3.07Å
153P95.3Very high95Very high0 Ų034 Ų340%018%0.175CC..  trans-71.6127.8171.228.3-34.9000111.4M89 T136 W151M89-P153 HydrophobicContact CE-CG 4.09Å; M89-P153 PolarHBondContact N-O 3.2Å; M89-P153 VanDerWaalsContact N-O 3.13Å; M89-P153 VanDerWaalsContact O-CD 3.27Å; M89-P153 WeakPolarHBondContact O-CD 3.14Å; T136-P153 HydrophobicContact CG2-CB 4.26Å; W151-P153 VanDerWaalsContact C-CD 3.4Å; W151-P153 HydrophobicContact CD2-CG 3.97Å; W151-P153 HydrophobicContact CE3-CG 4.19Å; W151-P153 HydrophobicContact CH2-CB 4.29Å; W151-P153 HydrophobicContact CH2-CG 3.89Å; W151-P153 HydrophobicContact CZ2-CB 3.74Å; W151-P153 HydrophobicContact CZ2-CG 3.71Å; W151-P153 HydrophobicContact CZ3-CG 4.16Å; W151-P153 WeakPolarHBondContact O-CD 3.47Å
154P95.2Very high94.7Very high32 Ų3237.7 Ų37.721%0.20819%0.194CC..EExtended strand (participates in β ladder)trans-74.2142.8158.431.4-28.6000109W88 F137 T139 M152W88-P154 HydrophobicContact CG-CB 4.09Å; F137-P154 HydrophobicContact CB-CG 4.11Å; F137-P154 HydrophobicContact CD2-CG 4.31Å; F137-P154 WeakPolarHBondContact CD2-O 3.26Å; F137-P154 PolarHBondContact N-O 3.24Å; T139-P154 HydrophobicContact CG2-CG 4.43Å; M152-P154 WeakPolarHBondContact O-CD 3.07Å
155G93.2Very high94.4Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)trans-134.3142.5175.800000112.4I86 I87 R135 F157I86-G155 WeakPolarHBondContact CA-O 3.3Å; I87-G155 PolarHBondContact N-O 3.35Å; I87-G155 VanDerWaalsContact N-O 3.08Å; I87-G155 PolarHBondContact O-N 3.36Å; R135-G155 WeakPolarHBondContact O-CA 3.46Å; G155-F157 WeakPolarHBondContact O-CD2 3.33Å
156L94.1Very high94Very high49 Ų4934.4 Ų34.426%0.25718%0.182SC..EExtended strand (participates in β ladder)trans-95.688.1174176.762.6000108.9M74 T84 T85 I86 R135 F137M74-L156 HydrophobicContact CG-CD1 4.38Å; T84-L156 HydrophobicContact CG2-CD1 3.71Å; T85-L156 CarbonylContact O-C 3.58Å; I86-L156 HydrophobicContact CG1-CD1 3.83Å; R135-L156 WeakPolarHBondContact CB-O 3.42Å; R135-L156 WeakPolarHBondContact CD-O 3.5Å; R135-L156 PolarHBondContact O-N 2.98Å; F137-L156 HydrophobicContact CE2-CB 4.33Å
157F95Very high93.7Very high10 Ų1035.8 Ų35.84%0.04418%0.182CC..EExtended strand (participates in β ladder)trans-88.8132.4-172.3-64-70.2000112.1T84 T85 I87 M89 L125 T136 G155 L177 F179T84-F157 CarbonylContact C-O 3.54Å; T84-F157 WeakPolarHBondContact CA-O 3.33Å; T85-F157 PolarHBondContact N-O 2.92Å; T85-F157 PolarHBondContact O-N 3.39Å; I87-F157 HydrophobicContact CB-CD2 3.91Å; I87-F157 HydrophobicContact CB-CE2 4.12Å; I87-F157 HydrophobicContact CD1-CD2 4.42Å; I87-F157 HydrophobicContact CG1-CD2 4.32Å; M89-F157 HydrophobicContact CE-CZ 3.95Å; M89-F157 HydrophobicContact CG-CE2 4.4Å; M89-F157 HydrophobicContact SD-CE2 4.2Å; M89-F157 HydrophobicContact SD-CZ 3.8Å; L125-F157 HydrophobicContact CB-CD1 4.35Å; L125-F157 HydrophobicContact CD2-CB 4.15Å; L125-F157 HydrophobicContact CD2-CD1 4.23Å; T136-F157 HydrophobicContact CG2-CZ 4.32Å; G155-F157 WeakPolarHBondContact O-CD2 3.33Å; F157-L177 HydrophobicContact CB-CD2 4.11Å; F157-F179 AromaticContact CD1-CE1 3.87Å; F157-F179 HydrophobicContact CD1-CE1 3.87Å; F157-F179 HydrophobicContact CD1-CZ 4.1Å; F157-F179 HydrophobicContact CD2-CE1 4.32Å; F157-F179 AromaticContact CD2-CZ 3.97Å; F157-F179 HydrophobicContact CD2-CZ 3.97Å; F157-F179 AromaticContact CE1-CE1 3.66Å; F157-F179 HydrophobicContact CE1-CE1 3.66Å; F157-F179 HydrophobicContact CE1-CZ 4.24Å; F157-F179 HydrophobicContact CE2-CE1 4.1Å; F157-F179 HydrophobicContact CE2-CZ 4.09Å; F157-F179 HydrophobicContact CG-CE1 4.2Å; F157-F179 AromaticContact CG-CZ 3.96Å; F157-F179 HydrophobicContact CG-CZ 3.96Å; F157-F179 AromaticContact CZ-CE1 3.77Å; F157-F179 HydrophobicContact CZ-CE1 3.77Å; F157-F179 HydrophobicContact CZ-CZ 4.23Å
158K95.4Very high93.4Very high59 Ų5936.3 Ų36.326%0.25718%0.184SC..EExtended strand (participates in β ladder)trans-111.7109.8169.6-84.1176.5163.4-168.80108.6V82 L83 T84 L125 C128 A129 D130V82-K158 HydrophobicContact CG1-CB 3.89Å; V82-K158 HydrophobicContact CG1-CD 4.41Å; V82-K158 HydrophobicContact CG1-CG 3.97Å; L83-K158 CarbonylContact O-C 3.53Å; L83-K158 WeakPolarHBondContact O-CA 3.32Å; T84-K158 HydrophobicContact CG2-CG 4.24Å; L125-K158 WeakPolarHBondContact CD2-O 3.49Å; C128-K158 WeakPolarHBondContact CA-O 3.38Å; A129-K158 HydrophobicContact CB-CB 4.47Å; A129-K158 PolarHBondContact N-O 3.03Å; D130-K158 HydrophobicContact CB-CB 4.25Å; D130-K158 HydrophobicContact CB-CD 3.75Å; D130-K158 WeakPolarHBondContact OD1-CD 3.37Å; D130-K158 WeakPolarHBondContact OD1-CE 3.25Å; D130-K158 IonicContact OD1-NZ 3.17Å; D130-K158 PolarHBondContact OD1-NZ 3.44Å
159S95.6Very high93Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-108.3139.817854.10000111L83 N127 C161L83-S159 PolarHBondContact N-O 2.95Å; L83-S159 PolarHBondContact O-N 3.19Å; N127-S159 CarbonylContact O-C 3.58Å; N127-S159 VanDerWaalsContact O-CA 3.32Å; N127-S159 WeakPolarHBondContact O-CA 3.4Å; S159-C161 PolarHBondContact O-N 3.11Å
160T95.4Very high92.5Very high65 Ų6535.9 Ų35.940%0.39918%0.18SC..EExtended strand (participates in β ladder)trans-62.3136.2165.855.90000109.8Q81 N127 A129Q81-T160 WeakPolarHBondContact O-CA 3.19Å; N127-T160 PolarHBondContact ND2-O 2.6Å; N127-T160 VanDerWaalsContact ND2-O 3.13Å; N127-T160 PolarHBondContact O-N 3.29Å; A129-T160 HydrophobicContact CB-CG2 3.72Å
161C95.3Very high92.2Very high4 Ų434 Ų343%0.02717%0.172CC..  trans-142.8120.1178178.90000110.5Q81 L83 S159 I163 C175Q81-C161 WeakPolarHBondContact CB-O 3.41Å; Q81-C161 PolarHBondContact O-N 3.37Å; L83-C161 HydrophobicContact CB-CB 4.24Å; S159-C161 PolarHBondContact O-N 3.11Å; C161-I163 HydrophobicContact CB-CD1 4.39Å; C161-I163 PolarHBondContact O-N 3.46Å; C161-C175 HydrophobicContact CB-CB 3.77Å; C161-C175 WeakPolarHBondContact CB-SG 3.45Å; C161-C175 WeakPolarHBondContact SG-CA 3.13Å; C161-C175 WeakPolarHBondContact SG-CB 3.17Å; C161-C175 CovalentContact SG-SG 2.04Å; C161-C175 PolarHBondContact SG-SG 3.23Å
162N92.4Very high92Very high118 Ų11838.3 Ų38.363%0.63119%0.192SC*.  trans-71.3109.7176.6-65.634.5000109.3
163I92.1Very high91.9Very high10 Ų1035.1 Ų35.15%0.05118%0.176CC..  trans-86.3122.5-179.4-57.7-54.3000110.3V76 E78 C161 I165 Q173V76-I163 HydrophobicContact CG1-CD1 3.99Å; E78-I163 HydrophobicContact CB-CG1 4.37Å; E78-I163 HydrophobicContact CB-CG2 4.14Å; E78-I163 HydrophobicContact CG-CG1 4.43Å; E78-I163 HydrophobicContact CG-CG2 3.98Å; C161-I163 HydrophobicContact CB-CD1 4.39Å; C161-I163 PolarHBondContact O-N 3.46Å; I163-I165 HydrophobicContact CG2-CG2 4.07Å; I163-Q173 HydrophobicContact CD1-CB 4.44Å; I163-Q173 HydrophobicContact CD1-CG 4.26Å
164D90.5Very high91.9Very high76 Ų7638.9 Ų38.941%0.40620%0.203SC..  trans-82.8116.7170.1-177.62.5000109.9L166 Q173D164-L166 WeakPolarHBondContact OD1-CB 3.44Å; D164-L166 PolarHBondContact OD1-N 2.87Å; D164-Q173 PolarHBondContact O-NE2 3.21Å
165I90Very high92Very high9 Ų937.4 Ų37.45%0.04619%0.193CC..  trans-97.4-2.9-177.864.2175.8000113.7I163 W167 F168 L307 P308 P315I163-I165 HydrophobicContact CG2-CG2 4.07Å; I165-W167 VanDerWaalsContact C-N 3.28Å; I165-W167 PolarHBondContact O-N 3.16Å; I165-F168 WeakPolarHBondContact O-CB 3.48Å; I165-F168 PolarHBondContact O-N 3.06Å; I165-L307 HydrophobicContact CG2-CD2 4.16Å; I165-P308 HydrophobicContact CG2-CG 3.76Å; I165-P315 HydrophobicContact CB-CB 4.45Å; I165-P315 HydrophobicContact CD1-CB 4.49Å; I165-P315 HydrophobicContact CD1-CG 4.34Å; I165-P315 HydrophobicContact CG1-CB 4.38Å; I165-P315 VanDerWaalsContact O-CB 3.28Å; I165-P315 WeakPolarHBondContact O-CB 3.34Å
166L87.9Confident92.1Very high65 Ų6541.3 Ų41.334%0.3421%0.213SC..THydrogen-bonded Turntrans-53.6-44.6-173.7179.362.1000112.4D164 A313 L316D164-L166 WeakPolarHBondContact OD1-CB 3.44Å; D164-L166 PolarHBondContact OD1-N 2.87Å; L166-A313 HydrophobicContact CB-CB 4.43Å; L166-L316 WeakPolarHBondContact O-CB 3.43Å; L166-L316 PolarHBondContact O-N 3.15Å; L166-L316 VanDerWaalsContact O-N 3.08Å
167W87Confident92.2Very high103 Ų10339 Ų3939%0.3920%0.201SC..THydrogen-bonded Turntrans-99.15.4-173.6-65.3117.2000115.4I165 F170 L316 S685I165-W167 VanDerWaalsContact C-N 3.28Å; I165-W167 PolarHBondContact O-N 3.16Å; W167-F170 CarbonylContact O-C 3.59Å; W167-F170 WeakPolarHBondContact O-CA 3.26Å; W167-F170 PolarHBondContact O-N 3.31Å; W167-L316 HydrophobicContact CE3-CD2 4.46Å; W167-L316 HydrophobicContact CZ3-CD2 4.2Å; W167-S685 WeakPolarHBondContact CH2-O 3.49Å; W167-S685 WeakPolarHBondContact CZ3-O 3.39Å
168F86.9Confident92.2Very high11 Ų1140.4 Ų40.45%0.04821%0.207CC..THydrogen-bonded Turntrans-54.2132.1-177.8178-89.8000112.2I165 Y257 L261 L307 I317I165-F168 WeakPolarHBondContact O-CB 3.48Å; I165-F168 PolarHBondContact O-N 3.06Å; F168-Y257 HydrophobicContact CE1-CD1 4.26Å; F168-Y257 HydrophobicContact CE1-CE1 4.46Å; F168-Y257 HydrophobicContact CE2-CE1 4.14Å; F168-Y257 AromaticContact CZ-CD1 3.72Å; F168-Y257 HydrophobicContact CZ-CD1 3.72Å; F168-Y257 AromaticContact CZ-CE1 3.52Å; F168-Y257 HydrophobicContact CZ-CE1 3.52Å; F168-L261 HydrophobicContact CE1-CD1 4.17Å; F168-L307 HydrophobicContact CD1-CD2 4.11Å; F168-L307 HydrophobicContact CD2-CD2 3.85Å; F168-L307 HydrophobicContact CE1-CD2 4.22Å; F168-L307 HydrophobicContact CE2-CD2 3.95Å; F168-L307 HydrophobicContact CG-CD2 3.91Å; F168-L307 HydrophobicContact CZ-CD2 4.13Å; F168-I317 HydrophobicContact CD1-CG2 4.08Å
169P87.3Confident92.2Very high3 Ų337.7 Ų37.72%0.01920%0.195CC..THydrogen-bonded Turncis-98.721.3941-38.5000114.5D171 A254 Y257 I262P169-D171 WeakPolarHBondContact CA-OD1 3.47Å; P169-A254 HydrophobicContact CG-CB 4.41Å; P169-A254 WeakPolarHBondContact O-CB 3.37Å; P169-Y257 HydrophobicContact CB-CD1 4.34Å; P169-Y257 HydrophobicContact CB-CD2 3.97Å; P169-Y257 HydrophobicContact CB-CG 3.7Å; P169-Y257 HydrophobicContact CG-CG 4.33Å; P169-I262 HydrophobicContact CG-CD1 4.35Å
170F87.2Confident92.1Very high18 Ų1837.8 Ų37.88%0.07920%0.196CC..SBendtrans-102.727.6179.5-55-80.6000112.1W167 A254 V258 I262 A686 N688 L689 S692W167-F170 CarbonylContact O-C 3.59Å; W167-F170 WeakPolarHBondContact O-CA 3.26Å; W167-F170 PolarHBondContact O-N 3.31Å; F170-A254 HydrophobicContact CD1-CB 3.51Å; F170-A254 HydrophobicContact CE1-CB 3.55Å; F170-A254 HydrophobicContact CG-CB 4.34Å; F170-A254 HydrophobicContact CZ-CB 4.41Å; F170-V258 HydrophobicContact CE1-CG2 4.26Å; F170-V258 HydrophobicContact CZ-CG2 4.1Å; F170-I262 HydrophobicContact CE2-CD1 3.89Å; F170-I262 HydrophobicContact CZ-CD1 3.96Å; F170-A686 HydrophobicContact CD2-CB 4.05Å; F170-A686 HydrophobicContact CE2-CB 4.23Å; F170-N688 HydrophobicContact CB-CB 4.03Å; F170-N688 PolarHBondContact O-ND2 3.18Å; F170-L689 HydrophobicContact CE1-CB 4.33Å; F170-L689 HydrophobicContact CE1-CG 4.23Å; F170-L689 HydrophobicContact CE2-CD1 4.31Å; F170-L689 HydrophobicContact CZ-CB 4.36Å; F170-L689 HydrophobicContact CZ-CD1 3.93Å; F170-L689 HydrophobicContact CZ-CG 4.01Å; F170-S692 WeakPolarHBondContact CE1-OG 3.34Å
171D89.5Confident92Very high4 Ų434.8 Ų34.82%0.02118%0.177CC..  trans-78.4151.1-172.251.7-62.5000114.1P169 Q173 R252P169-D171 WeakPolarHBondContact CA-OD1 3.47Å; D171-Q173 PolarHBondContact OD2-NE2 2.04Å; D171-R252 PolarHBondContact O-N 3.47Å; D171-R252 WeakPolarHBondContact OD1-CD 3.45Å; D171-R252 IonicContact OD1-CZ 3.85Å; D171-R252 IonicContact OD1-NE 2.84Å; D171-R252 PolarHBondContact OD1-NE 3.04Å; D171-R252 IonicContact OD1-NH2 3.31Å; D171-R252 IonicContact OD2-CZ 2.7Å; D171-R252 IonicContact OD2-NE 3.88Å; D171-R252 PolarHBondContact OD2-NE 3.48Å; D171-R252 VanDerWaalsContact OD2-NE 3.12Å; D171-R252 IonicContact OD2-NH2 2.81Å; D171-R252 PolarHBondContact OD2-NH2 3.25Å
172E91.2Very high91.7Very high98 Ų9841.8 Ų41.846%0.45820%0.203SC..EExtended strand (participates in β ladder)trans-122127.7166179.2167.9-143.700108.7S223 L250E172-S223 WeakPolarHBondContact OE1-CB 3.15Å; E172-S223 PolarHBondContact OE1-OG 2.99Å; E172-L250 CarbonylContact C-O 3.53Å; E172-L250 WeakPolarHBondContact CA-O 3.4Å
173Q93.9Very high91.6Very high4 Ų440.5 Ų40.52%0.01920%0.2CC..EExtended strand (participates in β ladder)trans-109.5136.7-174.7-54.8-58.4-20.800110.2I163 D164 D171 T249 L250I163-Q173 HydrophobicContact CD1-CB 4.44Å; I163-Q173 HydrophobicContact CD1-CG 4.26Å; D164-Q173 PolarHBondContact O-NE2 3.21Å; D171-Q173 PolarHBondContact OD2-NE2 2.04Å; Q173-T249 CarbonylContact O-C 3.51Å; Q173-T249 WeakPolarHBondContact O-CA 3.4Å; Q173-L250 PolarHBondContact N-O 3.12Å; Q173-L250 PolarHBondContact O-N 3.49Å
174S94.2Very high91.6Very high79 Ų7942.2 Ų42.255%0.55221%0.206SC*.EExtended strand (participates in β ladder)trans-117.990.8-178.4-171.40000110.4
175C97Very high91.6Very high1 Ų142.1 Ų42.11%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-95141.7-175.7-63.70000111.9L83 C161 A247 I248L83-C175 HydrophobicContact CB-CB 4.42Å; L83-C175 HydrophobicContact CD2-CB 3.46Å; L83-C175 VanDerWaalsContact CD2-CB 3.46Å; C161-C175 HydrophobicContact CB-CB 3.77Å; C161-C175 WeakPolarHBondContact CB-SG 3.45Å; C161-C175 WeakPolarHBondContact SG-CA 3.13Å; C161-C175 WeakPolarHBondContact SG-CB 3.17Å; C161-C175 CovalentContact SG-SG 2.04Å; C161-C175 PolarHBondContact SG-SG 3.23Å; C175-A247 WeakPolarHBondContact O-CA 3.26Å; C175-I248 PolarHBondContact N-O 3.36Å; C175-I248 PolarHBondContact O-N 3.22Å
176I96.1Very high91.6Very high81 Ų8142.3 Ų42.342%0.41521%0.205SC..EExtended strand (participates in β ladder)trans-119131-179.6-57.1176.7000110N127 K245 I246 A247N127-I176 PolarHBondContact ND2-O 2.99Å; I176-K245 HydrophobicContact CG2-CB 4.06Å; I176-K245 HydrophobicContact CG2-CG 4.43Å; I176-I246 CarbonylContact C-O 3.58Å; I176-I246 VanDerWaalsContact CA-O 3.29Å; I176-I246 WeakPolarHBondContact CA-O 3.44Å; I176-A247 HydrophobicContact CG1-CB 4.38Å
177L95.9Very high91.6Very high0 Ų044.4 Ų44.40%022%0.216CC..EExtended strand (participates in β ladder)trans-108.6121.7167.8-58.398.4000109L83 I87 L125 F157 F179 K245 I246 I248L83-L177 HydrophobicContact CD2-CD1 4.06Å; I87-L177 HydrophobicContact CD1-CD2 3.97Å; L125-L177 HydrophobicContact CD1-CB 3.88Å; L125-L177 HydrophobicContact CD1-CD2 4.42Å; F157-L177 HydrophobicContact CB-CD2 4.11Å; L177-F179 HydrophobicContact CB-CD2 4.32Å; L177-F179 HydrophobicContact CB-CE2 3.69Å; L177-F179 HydrophobicContact CB-CZ 4.42Å; L177-F179 HydrophobicContact CD2-CE2 4.42Å; L177-F179 HydrophobicContact CD2-CZ 4.46Å; L177-K245 WeakPolarHBondContact O-CA 3.37Å; L177-I246 HydrophobicContact CB-CB 4.42Å; L177-I246 HydrophobicContact CD1-CB 4.5Å; L177-I246 PolarHBondContact N-O 3.28Å; L177-I246 PolarHBondContact O-N 3Å; L177-I248 HydrophobicContact CD1-CD1 3.56Å; L177-I248 HydrophobicContact CD1-CG1 4.06Å
178K95.3Very high91.9Very high40 Ų4042 Ų4217%0.17421%0.209CC..EExtended strand (participates in β ladder)trans-106.2103-176.5-178.2-178.5175.6-175.30110.7Y126 N127 Y234 D243 K245Y126-K178 HydrophobicContact CD2-CD 4.17Å; Y126-K178 HydrophobicContact CG-CD 4.21Å; Y126-K178 HydrophobicContact CG-CG 4.28Å; Y126-K178 PolarHBondContact N-O 3.41Å; N127-K178 PolarHBondContact OD1-N 2.83Å; K178-Y234 WeakPolarHBondContact CE-OH 3.24Å; K178-Y234 PolarHBondContact NZ-OH 2.88Å; K178-D243 WeakPolarHBondContact CE-OD2 3.32Å; K178-D243 WeakPolarHBondContact CG-OD2 3.42Å; K178-K245 HydrophobicContact CB-CG 4.41Å; K178-K245 HydrophobicContact CG-CG 4.2Å
179F95Very high92.2Very high3 Ų341.5 Ų41.51%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-96.8144.7176.8-67.2-84.1000111.3F68 M89 I123 L124 L125 F157 L177 D243 V244 I246F68-F179 HydrophobicContact CE1-CD1 4.48Å; F68-F179 AromaticContact CE1-CD2 3.87Å; F68-F179 HydrophobicContact CE1-CD2 3.87Å; F68-F179 HydrophobicContact CE1-CE2 4.09Å; F68-F179 HydrophobicContact CE1-CG 4.08Å; F68-F179 HydrophobicContact CE1-CZ 4.48Å; F68-F179 HydrophobicContact CZ-CB 4.17Å; F68-F179 AromaticContact CZ-CD2 3.97Å; F68-F179 HydrophobicContact CZ-CD2 3.97Å; F68-F179 HydrophobicContact CZ-CG 4.07Å; M89-F179 HydrophobicContact SD-CD1 4.09Å; M89-F179 HydrophobicContact SD-CE1 3.93Å; I123-F179 HydrophobicContact CG2-CB 4.06Å; I123-F179 HydrophobicContact CG2-CD1 4.21Å; L124-F179 WeakPolarHBondContact O-CA 3.16Å; L125-F179 HydrophobicContact CB-CD1 4.41Å; L125-F179 HydrophobicContact CB-CE1 4.15Å; L125-F179 HydrophobicContact CD1-CE1 4.27Å; L125-F179 HydrophobicContact CD1-CE2 4.31Å; L125-F179 HydrophobicContact CD1-CZ 4.15Å; F157-F179 AromaticContact CD1-CE1 3.87Å; F157-F179 HydrophobicContact CD1-CE1 3.87Å; F157-F179 HydrophobicContact CD1-CZ 4.1Å; F157-F179 HydrophobicContact CD2-CE1 4.32Å; F157-F179 AromaticContact CD2-CZ 3.97Å; F157-F179 HydrophobicContact CD2-CZ 3.97Å; F157-F179 AromaticContact CE1-CE1 3.66Å; F157-F179 HydrophobicContact CE1-CE1 3.66Å; F157-F179 HydrophobicContact CE1-CZ 4.24Å; F157-F179 HydrophobicContact CE2-CE1 4.1Å; F157-F179 HydrophobicContact CE2-CZ 4.09Å; F157-F179 HydrophobicContact CG-CE1 4.2Å; F157-F179 AromaticContact CG-CZ 3.96Å; F157-F179 HydrophobicContact CG-CZ 3.96Å; F157-F179 AromaticContact CZ-CE1 3.77Å; F157-F179 HydrophobicContact CZ-CE1 3.77Å; F157-F179 HydrophobicContact CZ-CZ 4.23Å; L177-F179 HydrophobicContact CB-CD2 4.32Å; L177-F179 HydrophobicContact CB-CE2 3.69Å; L177-F179 HydrophobicContact CB-CZ 4.42Å; L177-F179 HydrophobicContact CD2-CE2 4.42Å; L177-F179 HydrophobicContact CD2-CZ 4.46Å; F179-D243 CarbonylContact O-C 3.58Å; F179-D243 WeakPolarHBondContact O-CA 3.17Å; F179-D243 WeakPolarHBondContact O-CB 3.23Å; F179-V244 PolarHBondContact N-O 3.31Å; F179-V244 PolarHBondContact O-N 2.82Å; F179-I246 HydrophobicContact CD2-CD1 4.08Å; F179-I246 HydrophobicContact CD2-CG1 4.4Å; F179-I246 HydrophobicContact CE2-CD1 3.77Å; F179-I246 HydrophobicContact CE2-CG1 4.44Å
180G93.4Very high92.4Very high1 Ų142.7 Ų42.71%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-171.7171.2174.900000112.9I123 L124I123-G180 WeakPolarHBondContact CA-O 3.19Å; L124-G180 PolarHBondContact N-O 3.06Å; L124-G180 PolarHBondContact O-N 2.88Å; L124-G180 VanDerWaalsContact O-N 3.08Å
181S93.4Very high92.7Very high2 Ų242.1 Ų42.11%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-76.5129.8171174.50000109.8D122 Y126 Y184D122-S181 WeakPolarHBondContact OD1-CB 3.3Å; D122-S181 PolarHBondContact OD1-OG 2.89Å; Y126-S181 PolarHBondContact OH-O 3.05Å; S181-Y184 WeakPolarHBondContact OG-CB 3.27Å; S181-Y184 PolarHBondContact OG-N 3.09Å; S181-Y184 PolarHBondContact OG-O 2.81Å
182W89.3Confident92.8Very high152 Ų15245 Ų4558%0.57622%0.224SC*.SBendtrans-78.2-29.8179.8-169.2-101000113D122 L124 Y126D122-W182 PolarHBondContact O-N 2.86Å; D122-W182 WeakPolarHBondContact OD2-CA 3.23Å; D122-W182 WeakPolarHBondContact OD2-CB 3.25Å; D122-W182 PolarHBondContact OD2-N 3.43Å; L124-W182 HydrophobicContact CD1-CB 3.96Å; L124-W182 HydrophobicContact CD1-CD2 4.41Å; L124-W182 HydrophobicContact CD1-CG 4.15Å; Y126-W182 HydrophobicContact CE1-CE3 4.43Å
183T90.6Very high92.8Very high91 Ų9140.9 Ų40.956%0.55821%0.205SC*.SBendtrans-117.6-27.3-169.857.60000114.5D122D122-T183 WeakPolarHBondContact OD2-CB 3.49Å; D122-T183 PolarHBondContact OD2-N 2.92Å; D122-T183 PolarHBondContact OD2-OG1 2.89Å
184Y91.8Very high92.5Very high46 Ų4644.4 Ų44.418%0.1822%0.222CC..  trans-98.5139.3179.3-56.7-87.9000111.9R53 W119 D122 S181 Q188 I189R53-Y184 HydrophobicContact CB-CE1 4.37Å; W119-Y184 HydrophobicContact CZ2-CE2 4.11Å; W119-Y184 PolarHBondContact NE1-OH 2.99Å; D122-Y184 WeakPolarHBondContact OD1-CD2 3.47Å; S181-Y184 WeakPolarHBondContact OG-CB 3.27Å; S181-Y184 PolarHBondContact OG-N 3.09Å; S181-Y184 PolarHBondContact OG-O 2.81Å; Y184-Q188 HydrophobicContact CD1-CB 4.05Å; Y184-I189 HydrophobicContact CD1-CD1 4.12Å; Y184-I189 HydrophobicContact CD1-CG1 4.27Å; Y184-I189 HydrophobicContact CD2-CD1 3.31Å; Y184-I189 HydrophobicContact CD2-CG1 4.24Å; Y184-I189 HydrophobicContact CE2-CD1 3.84Å; Y184-I189 HydrophobicContact CG-CD1 3.45Å; Y184-I189 VanDerWaalsContact CG-CD1 3.45Å; Y184-I189 HydrophobicContact CG-CG1 3.86Å
185Y91Very high91.8Very high74 Ų7442.8 Ų42.829%0.2921%0.21SC..  trans-95.5172.8174.358.8-82.8000111.9D187 Q188 I189 Y239Y185-D187 VanDerWaalsContact C-N 3.26Å; Y185-D187 HydrophobicContact CD2-CB 4Å; Y185-D187 HydrophobicContact CE2-CB 3.74Å; Y185-D187 WeakPolarHBondContact CE2-OD2 3.37Å; Y185-D187 PolarHBondContact O-N 3.08Å; Y185-D187 VanDerWaalsContact O-N 3.14Å; Y185-Q188 HydrophobicContact CD1-CG 4.09Å; Y185-Q188 VanDerWaalsContact CD1-OE1 3.32Å; Y185-Q188 HydrophobicContact CE1-CG 3.69Å; Y185-Q188 VanDerWaalsContact CE1-OE1 3.3Å; Y185-Q188 HydrophobicContact CE2-CG 4.22Å; Y185-Q188 HydrophobicContact CG-CG 4.49Å; Y185-Q188 WeakPolarHBondContact O-CA 3.24Å; Y185-Q188 WeakPolarHBondContact O-CB 3.41Å; Y185-Q188 PolarHBondContact O-N 2.87Å; Y185-I189 PolarHBondContact O-N 2.92Å; Y185-Y239 HydrophobicContact CD1-CD2 4.21Å; Y185-Y239 HydrophobicContact CD1-CE2 4.31Å; Y185-Y239 HydrophobicContact CD2-CD2 4.36Å; Y185-Y239 HydrophobicContact CD2-CG 4.31Å; Y185-Y239 AromaticContact CG-CD2 3.76Å; Y185-Y239 HydrophobicContact CG-CD2 3.76Å; Y185-Y239 HydrophobicContact CG-CE2 4.27Å; Y185-Y239 HydrophobicContact CG-CG 4.11Å
186G89.7Confident90.7Very high13 Ų1345.9 Ų45.913%0.13423%0.226CC..THydrogen-bonded Turntrans-59.1-29-168.400000115.7Q188 D240G186-Q188 VanDerWaalsContact C-N 3.29Å; G186-D240 PolarHBondContact N-O 3.11Å
187D88.8Confident89.6Confident108 Ų10847 Ų4758%0.57823%0.232SC*.THydrogen-bonded Turntrans-79.1-12176.3-47.7-49.1000112.8T61 Y185T61-D187 VanDerWaalsContact CG2-C 3.5Å; T61-D187 WeakPolarHBondContact CG2-O 3.46Å; Y185-D187 VanDerWaalsContact C-N 3.26Å; Y185-D187 HydrophobicContact CD2-CB 4Å; Y185-D187 HydrophobicContact CE2-CB 3.74Å; Y185-D187 WeakPolarHBondContact CE2-OD2 3.37Å; Y185-D187 PolarHBondContact O-N 3.08Å; Y185-D187 VanDerWaalsContact O-N 3.14Å
188Q92.1Very high88.2Confident52 Ų5252.1 Ų52.124%0.24328%0.275CS..THydrogen-bonded Turntrans-100.1-46.5175.9-67.2-178.9-33.200112.1R53 L62 Y184 Y185 G186R53-Q188 PolarHBondContact NH1-O 3.36Å; L62-Q188 PolarHBondContact N-O 3.25Å; Y184-Q188 HydrophobicContact CD1-CB 4.05Å; Y185-Q188 HydrophobicContact CD1-CG 4.09Å; Y185-Q188 VanDerWaalsContact CD1-OE1 3.32Å; Y185-Q188 HydrophobicContact CE1-CG 3.69Å; Y185-Q188 VanDerWaalsContact CE1-OE1 3.3Å; Y185-Q188 HydrophobicContact CE2-CG 4.22Å; Y185-Q188 HydrophobicContact CG-CG 4.49Å; Y185-Q188 WeakPolarHBondContact O-CA 3.24Å; Y185-Q188 WeakPolarHBondContact O-CB 3.41Å; Y185-Q188 PolarHBondContact O-N 2.87Å; G186-Q188 VanDerWaalsContact C-N 3.29Å
189I93Very high86.7Confident2 Ų255.8 Ų55.81%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-131.4123175.7-62.2-176.7000109.5L62 V64 W119 P121 Y184 Y185 F191L62-I189 WeakPolarHBondContact O-CA 3.39Å; V64-I189 HydrophobicContact CG2-CG2 3.89Å; W119-I189 HydrophobicContact CH2-CD1 3.74Å; W119-I189 HydrophobicContact CZ2-CD1 3.82Å; P121-I189 HydrophobicContact CB-CD1 4.34Å; Y184-I189 HydrophobicContact CD1-CD1 4.12Å; Y184-I189 HydrophobicContact CD1-CG1 4.27Å; Y184-I189 HydrophobicContact CD2-CD1 3.31Å; Y184-I189 HydrophobicContact CD2-CG1 4.24Å; Y184-I189 HydrophobicContact CE2-CD1 3.84Å; Y184-I189 HydrophobicContact CG-CD1 3.45Å; Y184-I189 VanDerWaalsContact CG-CD1 3.45Å; Y184-I189 HydrophobicContact CG-CG1 3.86Å; Y185-I189 PolarHBondContact O-N 2.92Å; I189-F191 HydrophobicContact CG2-CD1 4.21Å; I189-F191 HydrophobicContact CG2-CD2 4.48Å; I189-F191 HydrophobicContact CG2-CE1 3.75Å; I189-F191 HydrophobicContact CG2-CE2 4.05Å; I189-F191 HydrophobicContact CG2-CZ 3.66Å
190N93Very high85.3Confident28 Ų2859.8 Ų59.815%0.1533%0.325CS..EExtended strand (participates in β ladder)trans-113.2102.8176.5177.830.8000109.7L62 N63 V64 Q192 R229L62-N190 PolarHBondContact O-N 3.48Å; N63-N190 WeakPolarHBondContact CA-O 3.37Å; N63-N190 PolarHBondContact OD1-ND2 2.99Å; V64-N190 PolarHBondContact N-O 3.37Å; N190-Q192 PolarHBondContact ND2-NE2 2.93Å; N190-R229 PolarHBondContact OD1-NH2 2.84Å
191F93Very high83.8Confident6 Ų665.5 Ų65.53%0.02636%0.361CS..EExtended strand (participates in β ladder)trans-70.1130.9171.7-58.7-66.4000110.4V64 V66 P121 I123 I189 R229 V242 V244V64-F191 HydrophobicContact CB-CD1 3.89Å; V64-F191 HydrophobicContact CB-CE1 4.15Å; V64-F191 HydrophobicContact CG1-CD1 4.07Å; V64-F191 HydrophobicContact CG1-CE1 4.2Å; V64-F191 HydrophobicContact CG2-CE1 4.5Å; V64-F191 CarbonylContact O-C 3.57Å; V64-F191 WeakPolarHBondContact O-CA 3.43Å; V66-F191 HydrophobicContact CG2-CB 4.18Å; V66-F191 HydrophobicContact CG2-CD1 3.67Å; V66-F191 HydrophobicContact CG2-CG 4.31Å; P121-F191 HydrophobicContact CB-CE1 4.32Å; I123-F191 HydrophobicContact CD1-CD1 4.19Å; I123-F191 HydrophobicContact CD1-CE1 3.54Å; I123-F191 HydrophobicContact CD1-CZ 4.14Å; I123-F191 HydrophobicContact CG1-CE1 3.72Å; I123-F191 HydrophobicContact CG1-CZ 3.8Å; I189-F191 HydrophobicContact CG2-CD1 4.21Å; I189-F191 HydrophobicContact CG2-CD2 4.48Å; I189-F191 HydrophobicContact CG2-CE1 3.75Å; I189-F191 HydrophobicContact CG2-CE2 4.05Å; I189-F191 HydrophobicContact CG2-CZ 3.66Å; F191-R229 WeakPolarHBondContact O-CD 3.29Å; F191-R229 PolarHBondContact O-NE 3.37Å; F191-V242 HydrophobicContact CB-CG1 3.99Å; F191-V242 HydrophobicContact CD2-CB 4.24Å; F191-V242 HydrophobicContact CD2-CG1 4.13Å; F191-V244 HydrophobicContact CB-CG2 4.24Å
192Q91.1Very high82.7Confident64 Ų6470.9 Ų70.930%0.29939%0.39SS..EExtended strand (participates in β ladder)trans-123.4138.6176.7-56.9-170.77.900109.7N63 V64 S65 V66 N190N63-Q192 VanDerWaalsContact CG-NE2 3.32Å; N63-Q192 PolarHBondContact OD1-NE2 3.34Å; V64-Q192 PolarHBondContact O-N 3.25Å; S65-Q192 CarbonylContact C-O 3.58Å; S65-Q192 WeakPolarHBondContact CA-O 3.44Å; V66-Q192 PolarHBondContact N-O 3.3Å; N190-Q192 PolarHBondContact ND2-NE2 2.93Å
193L91.9Very high82.1Confident11 Ų1164 Ų646%0.05837%0.365CS..EExtended strand (participates in β ladder)trans-78.3130.5176.6-60.8179.2000110.9C203 T204 V227 R229 V244L193-C203 WeakPolarHBondContact CB-O 3.41Å; L193-T204 PolarHBondContact N-O 3.42Å; L193-V227 HydrophobicContact CD1-CG1 4.32Å; L193-V227 HydrophobicContact CD1-CG2 4.39Å; L193-V227 HydrophobicContact CD2-CG2 3.81Å; L193-R229 HydrophobicContact CD1-CB 4.34Å; L193-R229 HydrophobicContact CG-CB 4.35Å; L193-V244 HydrophobicContact CD2-CG1 3.79Å; L193-V244 HydrophobicContact CD2-CG2 4.35Å
194Q86.3Confident81.5Confident78 Ų7861.8 Ų61.836%0.36435%0.351SS..PPolyproline II helixtrans-82.6132.7173.5-167.5-170.855.800110.7V66 K67V66-Q194 PolarHBondContact O-N 3.2Å; V66-Q194 VanDerWaalsContact O-N 3.07Å; K67-Q194 HydrophobicContact CB-CB 4.17Å; K67-Q194 VanDerWaalsContact CD-OE1 3.29Å
195C80.4Confident80.9Confident45 Ų4563 Ų6330%0.30436%0.359SS..PPolyproline II helixtrans-68.4137.8176.8-46.40000110.8N197 C203C195-N197 VanDerWaalsContact C-N 3.34Å; C195-N197 WeakPolarHBondContact CB-O 3.3Å; C195-C203 WeakPolarHBondContact CA-SG 3.2Å; C195-C203 HydrophobicContact CB-CB 3.78Å; C195-C203 WeakPolarHBondContact CB-SG 3.43Å; C195-C203 PolarHBondContact N-SG 3.49Å; C195-C203 WeakPolarHBondContact SG-CB 3.44Å; C195-C203 CovalentContact SG-SG 2.03Å; C195-C203 PolarHBondContact SG-SG 3.48Å
196I73.8Confident80.6Confident66 Ų6663 Ų6334%0.33837%0.366SS..SBendtrans-64.6-42.9168.9-62.5173.4000110.1T208 D210I196-T208 WeakPolarHBondContact CD1-OG1 3.35Å; I196-D210 HydrophobicContact CD1-CB 4.32Å
197N73.7Confident80.4Confident104 Ų10463.2 Ų63.256%0.55637%0.368SS*.SBendtrans-117.1128.2177.5-69-45.1000110.4C195 S199 Q200C195-N197 VanDerWaalsContact C-N 3.34Å; C195-N197 WeakPolarHBondContact CB-O 3.3Å; N197-S199 PolarHBondContact O-N 2.94Å; N197-Q200 PolarHBondContact O-N 3.25Å; N197-Q200 VanDerWaalsContact O-N 3.15Å
198A65.7Low80.3Confident109 Ų10962 Ų6290%0.90137%0.365SS*.THydrogen-bonded Turntrans-63.3-12178.200000114.3Q200A198-Q200 VanDerWaalsContact C-N 3.35Å
199S63.9Low80.3Confident117 Ų11759.9 Ų59.982%0.81836%0.355SS*.THydrogen-bonded Turntrans-83.6-3.8177-48.20000114.3N197 P201N197-S199 PolarHBondContact O-N 2.94Å; S199-P201 WeakPolarHBondContact O-CD 3.41Å
200Q66.3Low80.2Confident87 Ų8760.7 Ų60.741%0.40736%0.36SS..SBendtrans-91.2112.1-176.4-174.1168.1-9.900111.1N197 A198N197-Q200 PolarHBondContact O-N 3.25Å; N197-Q200 VanDerWaalsContact O-N 3.15Å; A198-Q200 VanDerWaalsContact C-N 3.35Å
201P61.1Low80.2Confident120 Ų12062.6 Ų62.678%0.77937%0.369SS*.THydrogen-bonded Turntrans-69.1136.1177.929-34.2000111.1S199 C203S199-P201 WeakPolarHBondContact O-CD 3.41Å; P201-C203 PolarHBondContact O-N 2.96Å
202D69.4Low80.1Confident116 Ų11666.1 Ų66.162%0.6240%0.395SS*.THydrogen-bonded Turntrans43.660.3-179.9-163.714.3000116.2T204D202-T204 PolarHBondContact O-N 2.87Å; D202-T204 WeakPolarHBondContact OD1-CB 3.23Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.34Å; D202-T204 PolarHBondContact OD1-N 3.04Å; D202-T204 PolarHBondContact OD1-OG1 3Å
203C78.6Confident80.1Confident6 Ų668.2 Ų68.24%0.04141%0.405CS..THydrogen-bonded Turntrans-70.8-3.8165.773.30000113.7L193 C195 P201 Q205 V206L193-C203 WeakPolarHBondContact CB-O 3.41Å; C195-C203 WeakPolarHBondContact CA-SG 3.2Å; C195-C203 HydrophobicContact CB-CB 3.78Å; C195-C203 WeakPolarHBondContact CB-SG 3.43Å; C195-C203 PolarHBondContact N-SG 3.49Å; C195-C203 WeakPolarHBondContact SG-CB 3.44Å; C195-C203 CovalentContact SG-SG 2.03Å; C195-C203 PolarHBondContact SG-SG 3.48Å; P201-C203 PolarHBondContact O-N 2.96Å; C203-Q205 VanDerWaalsContact C-N 3.26Å; C203-Q205 PolarHBondContact O-N 3.3Å; C203-V206 CarbonylContact O-C 3.47Å; C203-V206 PolarHBondContact O-N 3.09Å
204T76Confident80.3Confident46 Ų4669.8 Ų69.828%0.28241%0.41SS..THydrogen-bonded Turntrans-66.8-28-161.7710000113.4L193 D202L193-T204 PolarHBondContact N-O 3.42Å; D202-T204 PolarHBondContact O-N 2.87Å; D202-T204 WeakPolarHBondContact OD1-CB 3.23Å; D202-T204 WeakPolarHBondContact OD1-CG2 3.34Å; D202-T204 PolarHBondContact OD1-N 3.04Å; D202-T204 PolarHBondContact OD1-OG1 3Å
205Q79.3Confident80.6Confident72 Ų7268.6 Ų68.634%0.33641%0.41SS..SBendtrans-103.3-29179.4-52.3-51.1-57.800113.4C203 R228 R229C203-Q205 VanDerWaalsContact C-N 3.26Å; C203-Q205 PolarHBondContact O-N 3.3Å; Q205-R228 WeakPolarHBondContact O-CA 3.4Å; Q205-R228 WeakPolarHBondContact O-CG 3.32Å; Q205-R229 PolarHBondContact O-N 3.43Å
206V85.4Confident81.2Confident74 Ų7476.9 Ų76.945%0.44844%0.435SS..EExtended strand (participates in β ladder)trans-142.4130.5-176.2-1740000110.5C203 R228C203-V206 CarbonylContact O-C 3.47Å; C203-V206 PolarHBondContact O-N 3.09Å; V206-R228 HydrophobicContact CG2-CG 4.08Å
207G85.2Confident82.1Confident16 Ų1674.7 Ų74.717%0.16542%0.424CS..EExtended strand (participates in β ladder)trans-146.6-177172.300000112.3V227G207-V227 PolarHBondContact N-O 3.28Å; G207-V227 PolarHBondContact O-N 2.86Å; G207-V227 VanDerWaalsContact O-O 3.11Å
208T87.4Confident82.8Confident84 Ų8473.2 Ų73.252%0.51543%0.433SS..EExtended strand (participates in β ladder)trans-97.2154.216551.80000110I196I196-T208 WeakPolarHBondContact CD1-OG1 3.35Å
209V91.2Very high84Confident7 Ų771.3 Ų71.34%0.04241%0.405CS..PPolyproline II helixtrans-67.7147.4167.2-170.80000108.6F68 L70 S225 V227 I246F68-V209 HydrophobicContact CB-CG1 4.27Å; F68-V209 WeakPolarHBondContact O-CG1 3.49Å; L70-V209 HydrophobicContact CB-CG1 3.83Å; V209-S225 PolarHBondContact N-O 3.45Å; V209-V227 HydrophobicContact CG2-CB 4.37Å; V209-I246 HydrophobicContact CG2-CG2 3.51Å
210D92Very high85.4Confident19 Ų1966 Ų6610%0.10237%0.368CS..BIsolated β-bridgetrans-78.6127.6173.6-160-41.4000110K67 F68 F69 L70 I196 S212K67-D210 WeakPolarHBondContact CE-OD2 3.42Å; K67-D210 IonicContact NZ-OD2 3.54Å; K67-D210 PolarHBondContact NZ-OD2 3.33Å; F68-D210 PolarHBondContact O-N 2.8Å; F69-D210 WeakPolarHBondContact CA-O 3.39Å; F69-D210 HydrophobicContact CD1-CB 3.56Å; F69-D210 HydrophobicContact CE1-CB 3.9Å; F69-D210 WeakPolarHBondContact CE1-OD2 3.41Å; F69-D210 HydrophobicContact CG-CB 4.09Å; L70-D210 PolarHBondContact N-O 2.87Å; I196-D210 HydrophobicContact CD1-CB 4.32Å; D210-S212 VanDerWaalsContact OD1-CB 3.24Å; D210-S212 WeakPolarHBondContact OD1-CB 3.45Å; D210-S212 PolarHBondContact OD1-N 2.87Å; D210-S212 PolarHBondContact OD1-OG 2.99Å
211L93.1Very high86.7Confident67 Ų6766 Ų6635%0.35137%0.368SS..  trans-115.512.2-176.6-58.5-177.5000112.5L70 E213 Y214 L222L70-L211 HydrophobicContact CB-CD2 3.93Å; L70-L211 HydrophobicContact CD2-CD2 4.14Å; L70-L211 HydrophobicContact CG-CD2 4.49Å; L211-E213 VanDerWaalsContact C-N 3.27Å; L211-E213 PolarHBondContact O-N 2.93Å; L211-Y214 HydrophobicContact CD2-CG 4.42Å; L211-Y214 VanDerWaalsContact O-CB 3.28Å; L211-Y214 WeakPolarHBondContact O-CB 3.35Å; L211-Y214 PolarHBondContact O-N 2.93Å; L211-Y214 VanDerWaalsContact O-N 3.1Å; L211-L222 HydrophobicContact CD1-CD2 3.73Å; L211-L222 HydrophobicContact CD2-CD2 3.7Å; L211-L222 HydrophobicContact CG-CD2 4.38Å
212S91.5Very high88.2Confident80 Ų8061.1 Ų61.156%0.55934%0.335SS*.THydrogen-bonded Turntrans-53.8-42.1178.243.70000113D210D210-S212 VanDerWaalsContact OD1-CB 3.24Å; D210-S212 WeakPolarHBondContact OD1-CB 3.45Å; D210-S212 PolarHBondContact OD1-N 2.87Å; D210-S212 PolarHBondContact OD1-OG 2.99Å
213E90.8Very high89.3Confident109 Ų10958.2 Ų58.251%0.50932%0.324SS..THydrogen-bonded Turntrans-97.920.9178.7-62.3-63.4149.800113.1N71 W88 L211 S215N71-E213 PolarHBondContact ND2-O 3.34Å; W88-E213 HydrophobicContact CH2-CG 4.49Å; W88-E213 HydrophobicContact CZ3-CG 4.27Å; L211-E213 VanDerWaalsContact C-N 3.27Å; L211-E213 PolarHBondContact O-N 2.93Å; E213-S215 PolarHBondContact O-N 3.47Å
214Y94.5Very high89.9Confident44 Ų4459.1 Ų59.117%0.17333%0.334CS..  trans-78.3111.2-174.6178.7-108.4000113.5L70 N71 V73 L211 R216 L222L70-Y214 HydrophobicContact CD2-CD2 4.22Å; L70-Y214 HydrophobicContact CD2-CE2 4.16Å; L70-Y214 HydrophobicContact CG-CD2 4.03Å; L70-Y214 HydrophobicContact CG-CE2 4.26Å; L70-Y214 WeakPolarHBondContact O-CD2 3.43Å; N71-Y214 WeakPolarHBondContact O-CA 3.46Å; V73-Y214 HydrophobicContact CG2-CE2 4.34Å; L211-Y214 HydrophobicContact CD2-CG 4.42Å; L211-Y214 VanDerWaalsContact O-CB 3.28Å; L211-Y214 WeakPolarHBondContact O-CB 3.35Å; L211-Y214 PolarHBondContact O-N 2.93Å; L211-Y214 VanDerWaalsContact O-N 3.1Å; Y214-R216 HydrophobicContact CE1-CG 4.4Å; Y214-L222 HydrophobicContact CD1-CD2 4.23Å; Y214-L222 HydrophobicContact CD2-CD2 4.27Å; Y214-L222 HydrophobicContact CE1-CB 4.09Å; Y214-L222 HydrophobicContact CE1-CD2 3.99Å; Y214-L222 HydrophobicContact CE2-CD2 4.02Å; Y214-L222 HydrophobicContact CG-CD2 4.37Å
215S94.6Very high90.8Very high52 Ų5257.6 Ų57.636%0.36433%0.325SS..BIsolated β-bridgetrans-75.3122.1168.8-174.80000111.2N71 Q72 E213 N217N71-S215 WeakPolarHBondContact O-CB 3.35Å; N71-S215 PolarHBondContact O-N 3.48Å; Q72-S215 PolarHBondContact OE1-OG 2.89Å; E213-S215 PolarHBondContact O-N 3.47Å; S215-N217 PolarHBondContact O-N 3.25Å
216R92.3Very high91.5Very high219 Ų21956.9 Ų56.983%0.82633%0.328SS*.PPolyproline II helixtrans-70.9123.2-176.7-63-179.3-178.9-171.5-1.7111.4Y214Y214-R216 HydrophobicContact CE1-CG 4.4Å
217N91.3Very high91.9Very high21 Ų2153.8 Ų53.811%0.11231%0.309CS..PPolyproline II helixtrans-71.7145.3172.6-172.3-67.8000111.4V73 S215 E219 F220V73-N217 PolarHBondContact O-ND2 3.5Å; S215-N217 PolarHBondContact O-N 3.25Å; N217-E219 PolarHBondContact OD1-N 3.33Å; N217-F220 PolarHBondContact OD1-N 2.97Å
218G90.2Very high92.3Very high72 Ų7259 Ų5974%0.74232%0.324SS*.SBendtrans-84.4-18.4-176.700000115.2R253G218-R253 WeakPolarHBondContact O-CD 3.33Å
219E90.5Very high92.6Very high69 Ų6956.8 Ų56.832%0.32231%0.306SS..SBendtrans-106.2-39.2177.6-179.717117300112.2N217 R252 R253 Y257N217-E219 PolarHBondContact OD1-N 3.33Å; E219-R252 IonicContact OE1-NH1 3.89Å; E219-R252 PolarHBondContact OE1-NH1 3.19Å; E219-R253 WeakPolarHBondContact O-CB 3.32Å; E219-R253 WeakPolarHBondContact O-CG 3.45Å; E219-R253 PolarHBondContact O-N 3.21Å; E219-Y257 PolarHBondContact OE1-OH 3.34Å
220F92.9Very high92.7Very high5 Ų560.5 Ų60.52%0.02232%0.32CS..EExtended strand (participates in β ladder)trans-105.9139-179.6-66.1-85.1000112V76 N217 L250 Q251 R252V76-F220 HydrophobicContact CB-CD2 4.49Å; V76-F220 HydrophobicContact CB-CE2 3.72Å; V76-F220 HydrophobicContact CB-CZ 3.73Å; V76-F220 HydrophobicContact CG1-CZ 4.22Å; V76-F220 HydrophobicContact CG2-CD2 3.97Å; V76-F220 HydrophobicContact CG2-CE1 4.41Å; V76-F220 HydrophobicContact CG2-CE2 3.7Å; V76-F220 HydrophobicContact CG2-CG 4.44Å; V76-F220 HydrophobicContact CG2-CZ 3.93Å; N217-F220 PolarHBondContact OD1-N 2.97Å; F220-L250 HydrophobicContact CB-CB 4.47Å; F220-L250 HydrophobicContact CD1-CB 4.07Å; F220-Q251 WeakPolarHBondContact CA-O 3.36Å; F220-R252 HydrophobicContact CE1-CB 4.36Å
221H93.1Very high92.7Very high88 Ų8862.3 Ų62.341%0.40734%0.338SS..EExtended strand (participates in β ladder)trans-97129.3164.5-176.636000109.3S223 L250 Q251H221-S223 PolarHBondContact O-N 2.79Å; H221-L250 CarbonylContact O-C 3.58Å; H221-L250 WeakPolarHBondContact O-CA 3.47Å; H221-Q251 PolarHBondContact N-O 2.79Å; H221-Q251 PolarHBondContact O-N 3.42Å
222L94.1Very high92.5Very high18 Ų1862.6 Ų62.69%0.09434%0.337CS..EExtended strand (participates in β ladder)trans-75.199.6171.1179.964.2000109.5L70 L211 Y214 G224 I248 L250L70-L222 HydrophobicContact CD2-CD1 4.37Å; L70-L222 HydrophobicContact CD2-CD2 3.97Å; L211-L222 HydrophobicContact CD1-CD2 3.73Å; L211-L222 HydrophobicContact CD2-CD2 3.7Å; L211-L222 HydrophobicContact CG-CD2 4.38Å; Y214-L222 HydrophobicContact CD1-CD2 4.23Å; Y214-L222 HydrophobicContact CD2-CD2 4.27Å; Y214-L222 HydrophobicContact CE1-CB 4.09Å; Y214-L222 HydrophobicContact CE1-CD2 3.99Å; Y214-L222 HydrophobicContact CE2-CD2 4.02Å; Y214-L222 HydrophobicContact CG-CD2 4.37Å; L222-G224 VanDerWaalsContact C-N 3.35Å; L222-G224 WeakPolarHBondContact CD1-O 3.04Å; L222-I248 HydrophobicContact CD1-CG2 3.46Å; L222-I248 VanDerWaalsContact CD1-CG2 3.46Å; L222-L250 HydrophobicContact CB-CD2 4.45Å; L222-L250 HydrophobicContact CD1-CD2 3.86Å
223S91.5Very high92.5Very high55 Ų5564.9 Ų64.939%0.38533%0.334SS..EExtended strand (participates in β ladder)trans-68.2-35.7175.6-52.10000111.6E172 H221 T249E172-S223 WeakPolarHBondContact OE1-CB 3.15Å; E172-S223 PolarHBondContact OE1-OG 2.99Å; H221-S223 PolarHBondContact O-N 2.79Å; S223-T249 PolarHBondContact N-O 3.36Å
224G92.1Very high92.4Very high25 Ų2562.3 Ų62.326%0.25832%0.32SS..EExtended strand (participates in β ladder)trans-173.5158.3-177.600000114.1L222 T249L222-G224 VanDerWaalsContact C-N 3.35Å; L222-G224 WeakPolarHBondContact CD1-O 3.04Å; G224-T249 WeakPolarHBondContact CA-OG1 3.32Å; G224-T249 PolarHBondContact N-O 3.27Å; G224-T249 PolarHBondContact N-OG1 2.84Å; G224-T249 VanDerWaalsContact N-OG1 3.13Å; G224-T249 PolarHBondContact O-N 3.24Å; G224-T249 PolarHBondContact O-OG1 2.95Å
225S93.6Very high92.2Very high14 Ų1470.3 Ų70.310%0.09836%0.359CS..EExtended strand (participates in β ladder)trans-147.7113.2178.9590000111.1V209 A247V209-S225 PolarHBondContact N-O 3.45Å; S225-A247 WeakPolarHBondContact CA-O 3.22Å
226S93.8Very high92Very high56 Ų5672.8 Ų72.839%0.39238%0.375SS..EExtended strand (participates in β ladder)trans-118.6152179.662.90000111.2I246 A247S226-I246 CarbonylContact O-C 3.57Å; S226-I246 WeakPolarHBondContact O-CA 3.14Å; S226-A247 PolarHBondContact N-O 3Å; S226-A247 PolarHBondContact O-N 3.45Å
227V94.3Very high91.8Very high9 Ų963.2 Ų63.26%0.05534%0.341CS..EExtended strand (participates in β ladder)trans-128.4132.8174.860.20000109.4F68 L193 G207 V209 V244 K245 I246F68-V227 HydrophobicContact CD2-CG2 4.09Å; F68-V227 HydrophobicContact CE2-CG2 4.38Å; L193-V227 HydrophobicContact CD1-CG1 4.32Å; L193-V227 HydrophobicContact CD1-CG2 4.39Å; L193-V227 HydrophobicContact CD2-CG2 3.81Å; G207-V227 PolarHBondContact N-O 3.28Å; G207-V227 PolarHBondContact O-N 2.86Å; G207-V227 VanDerWaalsContact O-O 3.11Å; V209-V227 HydrophobicContact CG2-CB 4.37Å; V227-V244 HydrophobicContact CG2-CG1 3.35Å; V227-K245 WeakPolarHBondContact CA-O 3.4Å; V227-I246 HydrophobicContact CB-CG1 4.46Å; V227-I246 HydrophobicContact CG2-CG1 4.08Å
228R93.9Very high91.6Very high125 Ų12568.7 Ų68.747%0.47237%0.371SS..EExtended strand (participates in β ladder)trans-139.1129.6-177.1-179.6165.3-179.91743.6111.5Q205 V206 Y230 K245Q205-R228 WeakPolarHBondContact O-CA 3.4Å; Q205-R228 WeakPolarHBondContact O-CG 3.32Å; V206-R228 HydrophobicContact CG2-CG 4.08Å; R228-Y230 HydrophobicContact CB-CD2 4.48Å; R228-Y230 HydrophobicContact CB-CE2 3.84Å; R228-Y230 WeakPolarHBondContact CD-OH 3.45Å; R228-Y230 HydrophobicContact CG-CD2 4.07Å; R228-Y230 HydrophobicContact CG-CE2 3.5Å; R228-Y230 WeakPolarHBondContact O-CD2 3.19Å; R228-K245 PolarHBondContact N-O 3.17Å; R228-K245 PolarHBondContact O-N 3.28Å
229R93.9Very high91.6Very high39 Ų3969.8 Ų69.815%0.14735%0.353CS..EExtended strand (participates in β ladder)trans-76.8140.3170.4-175.8-177.5172.4-73.1-6.1109.5N190 F191 L193 Q205 V242N190-R229 PolarHBondContact OD1-NH2 2.84Å; F191-R229 WeakPolarHBondContact O-CD 3.29Å; F191-R229 PolarHBondContact O-NE 3.37Å; L193-R229 HydrophobicContact CD1-CB 4.34Å; L193-R229 HydrophobicContact CG-CB 4.35Å; Q205-R229 PolarHBondContact O-N 3.43Å; R229-V242 HydrophobicContact CG-CG1 4.01Å
230Y93.1Very high91.6Very high84 Ų8470 Ų7033%0.32936%0.356SS..EExtended strand (participates in β ladder)trans-128.7151.3171.7-72.2-95000108.7R228 V242 D243 K245R228-Y230 HydrophobicContact CB-CD2 4.48Å; R228-Y230 HydrophobicContact CB-CE2 3.84Å; R228-Y230 WeakPolarHBondContact CD-OH 3.45Å; R228-Y230 HydrophobicContact CG-CD2 4.07Å; R228-Y230 HydrophobicContact CG-CE2 3.5Å; R228-Y230 WeakPolarHBondContact O-CD2 3.19Å; Y230-V242 WeakPolarHBondContact O-CA 3.3Å; Y230-D243 VanDerWaalsContact CB-OD1 3.3Å; Y230-D243 WeakPolarHBondContact CB-OD1 3.3Å; Y230-D243 PolarHBondContact N-O 3.11Å; Y230-D243 PolarHBondContact O-N 3.28Å; Y230-K245 HydrophobicContact CD2-CB 4.19Å; Y230-K245 HydrophobicContact CD2-CD 3.6Å; Y230-K245 HydrophobicContact CD2-CG 3.91Å; Y230-K245 HydrophobicContact CE2-CB 4Å; Y230-K245 HydrophobicContact CE2-CD 3.59Å; Y230-K245 HydrophobicContact CE2-CG 4.08Å; Y230-K245 HydrophobicContact CG-CD 4.3Å
231A92.2Very high91.6Very high58 Ų5870.8 Ų70.848%0.47936%0.36SS..EExtended strand (participates in β ladder)trans-117125.2160.700000106.1F241A231-F241 CarbonylContact C-O 3.57Å; A231-F241 WeakPolarHBondContact CA-O 3.39Å
232Q87.9Confident91.6Very high73 Ų7366.9 Ų66.934%0.34134%0.342SS..EExtended strand (participates in β ladder)trans-138.3120.9-173.7-178.4167-3.200110.6Y234 F241Q232-Y234 HydrophobicContact CG-CE1 4.28Å; Q232-F241 PolarHBondContact N-O 3.24Å; Q232-F241 PolarHBondContact O-N 3.29Å
233R91.2Very high91.6Very high128 Ų12866 Ų6648%0.48334%0.338SS..EExtended strand (participates in β ladder)trans-73.5138.7164.3-156.6179.1-176102.7-9.2109.2C237 D238 D240R233-C237 WeakPolarHBondContact CG-O 3.39Å; R233-D238 IonicContact CZ-OD1 2.67Å; R233-D238 IonicContact NE-OD1 3.12Å; R233-D238 PolarHBondContact NH1-O 3.4Å; R233-D238 VanDerWaalsContact NH2-C 3.34Å; R233-D238 PolarHBondContact NH2-O 2.9Å; R233-D238 IonicContact NH2-OD1 2.88Å; R233-D238 PolarHBondContact NH2-OD1 3.41Å; R233-D240 WeakPolarHBondContact CB-OD1 3.32Å; R233-D240 IonicContact NH1-OD1 3.89Å
234Y88.8Confident91.7Very high55 Ų5563.6 Ų63.622%0.21632%0.321CS..  trans-109.1153173.4-65.2-78000110.4K178 Q232 C236 C237 F241K178-Y234 WeakPolarHBondContact CE-OH 3.24Å; K178-Y234 PolarHBondContact NZ-OH 2.88Å; Q232-Y234 HydrophobicContact CG-CE1 4.28Å; Y234-C236 PolarHBondContact O-N 3.41Å; Y234-C237 PolarHBondContact O-N 2.82Å; Y234-C237 VanDerWaalsContact O-O 3.08Å; Y234-F241 HydrophobicContact CD2-CB 4.38Å; Y234-F241 AromaticContact CD2-CD2 3.54Å; Y234-F241 HydrophobicContact CD2-CD2 3.54Å; Y234-F241 AromaticContact CD2-CE2 3.94Å; Y234-F241 HydrophobicContact CD2-CE2 3.94Å; Y234-F241 HydrophobicContact CD2-CG 4.1Å; Y234-F241 HydrophobicContact CE2-CB 3.86Å; Y234-F241 AromaticContact CE2-CD2 3.86Å; Y234-F241 HydrophobicContact CE2-CD2 3.86Å; Y234-F241 AromaticContact CE2-CG 3.94Å; Y234-F241 HydrophobicContact CE2-CG 3.94Å
235E90.9Very high91.9Very high212 Ų21264.4 Ų64.499%0.99132%0.317SS*.THydrogen-bonded Turntrans-59.6-17.2-176.9-61.7176.7177.700114.2
236C89.8Confident92Very high103 Ų10363.8 Ų63.870%0.69631%0.313SS*.THydrogen-bonded Turntrans-73.9-22.7174.363.10000114.9Y234Y234-C236 PolarHBondContact O-N 3.41Å
237C87.9Confident92.1Very high19 Ų1962.4 Ų62.413%0.12830%0.304CS..  trans-147.6127.5-143.9-58.80000112.1R233 Y234 Y239 F241R233-C237 WeakPolarHBondContact CG-O 3.39Å; Y234-C237 PolarHBondContact O-N 2.82Å; Y234-C237 VanDerWaalsContact O-O 3.08Å; C237-Y239 HydrophobicContact CB-CD1 4.47Å; C237-Y239 HydrophobicContact CB-CD2 4.33Å; C237-Y239 HydrophobicContact CB-CE1 4.11Å; C237-Y239 HydrophobicContact CB-CE2 4Å; C237-Y239 PolarHBondContact O-N 3.14Å; C237-Y239 VanDerWaalsContact O-N 3.14Å; C237-F241 HydrophobicContact CB-CE2 4.12Å
238D88.5Confident92.2Very high136 Ų13662 Ų6273%0.72730%0.302SS*.SBendtrans-8216.5-176.3-85.3-44.6000115.3R233R233-D238 IonicContact CZ-OD1 2.67Å; R233-D238 IonicContact NE-OD1 3.12Å; R233-D238 PolarHBondContact NH1-O 3.4Å; R233-D238 VanDerWaalsContact NH2-C 3.34Å; R233-D238 PolarHBondContact NH2-O 2.9Å; R233-D238 IonicContact NH2-OD1 2.88Å; R233-D238 PolarHBondContact NH2-OD1 3.41Å
239Y88.9Confident92.2Very high95 Ų9557.8 Ų57.837%0.37329%0.29SS..SBendtrans-134.3150.9-176.346-96000111Y185 C237 F241Y185-Y239 HydrophobicContact CD1-CD2 4.21Å; Y185-Y239 HydrophobicContact CD1-CE2 4.31Å; Y185-Y239 HydrophobicContact CD2-CD2 4.36Å; Y185-Y239 HydrophobicContact CD2-CG 4.31Å; Y185-Y239 AromaticContact CG-CD2 3.76Å; Y185-Y239 HydrophobicContact CG-CD2 3.76Å; Y185-Y239 HydrophobicContact CG-CE2 4.27Å; Y185-Y239 HydrophobicContact CG-CG 4.11Å; C237-Y239 HydrophobicContact CB-CD1 4.47Å; C237-Y239 HydrophobicContact CB-CD2 4.33Å; C237-Y239 HydrophobicContact CB-CE1 4.11Å; C237-Y239 HydrophobicContact CB-CE2 4Å; C237-Y239 PolarHBondContact O-N 3.14Å; C237-Y239 VanDerWaalsContact O-N 3.14Å; Y239-F241 HydrophobicContact CD2-CD2 4.16Å; Y239-F241 AromaticContact CD2-CE2 3.72Å; Y239-F241 HydrophobicContact CD2-CE2 3.72Å; Y239-F241 HydrophobicContact CD2-CZ 4.24Å; Y239-F241 HydrophobicContact CE2-CD2 4.23Å; Y239-F241 HydrophobicContact CE2-CE1 4.43Å; Y239-F241 AromaticContact CE2-CE2 3.37Å; Y239-F241 HydrophobicContact CE2-CE2 3.37Å; Y239-F241 AromaticContact CE2-CZ 3.51Å; Y239-F241 HydrophobicContact CE2-CZ 3.51Å
240D91.8Very high92.3Very high73 Ų7356 Ų5639%0.3928%0.283SS..EExtended strand (participates in β ladder)trans-87.4131.3-176.4-66.32.5000110G186 R233G186-D240 PolarHBondContact N-O 3.11Å; R233-D240 WeakPolarHBondContact CB-OD1 3.32Å; R233-D240 IonicContact NH1-OD1 3.89Å
241F92.5Very high92.2Very high21 Ų2155 Ų559%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-93.1144.6169.7-71.2-107.1000109.6A231 Q232 Y234 C237 Y239A231-F241 CarbonylContact C-O 3.57Å; A231-F241 WeakPolarHBondContact CA-O 3.39Å; Q232-F241 PolarHBondContact N-O 3.24Å; Q232-F241 PolarHBondContact O-N 3.29Å; Y234-F241 HydrophobicContact CD2-CB 4.38Å; Y234-F241 AromaticContact CD2-CD2 3.54Å; Y234-F241 HydrophobicContact CD2-CD2 3.54Å; Y234-F241 AromaticContact CD2-CE2 3.94Å; Y234-F241 HydrophobicContact CD2-CE2 3.94Å; Y234-F241 HydrophobicContact CD2-CG 4.1Å; Y234-F241 HydrophobicContact CE2-CB 3.86Å; Y234-F241 AromaticContact CE2-CD2 3.86Å; Y234-F241 HydrophobicContact CE2-CD2 3.86Å; Y234-F241 AromaticContact CE2-CG 3.94Å; Y234-F241 HydrophobicContact CE2-CG 3.94Å; C237-F241 HydrophobicContact CB-CE2 4.12Å; Y239-F241 HydrophobicContact CD2-CD2 4.16Å; Y239-F241 AromaticContact CD2-CE2 3.72Å; Y239-F241 HydrophobicContact CD2-CE2 3.72Å; Y239-F241 HydrophobicContact CD2-CZ 4.24Å; Y239-F241 HydrophobicContact CE2-CD2 4.23Å; Y239-F241 HydrophobicContact CE2-CE1 4.43Å; Y239-F241 AromaticContact CE2-CE2 3.37Å; Y239-F241 HydrophobicContact CE2-CE2 3.37Å; Y239-F241 AromaticContact CE2-CZ 3.51Å; Y239-F241 HydrophobicContact CE2-CZ 3.51Å
242V92.9Very high92.2Very high7 Ų752.7 Ų52.74%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-97.6120.4173.1-178.60000109.2F191 R229 Y230F191-V242 HydrophobicContact CB-CG1 3.99Å; F191-V242 HydrophobicContact CD2-CB 4.24Å; F191-V242 HydrophobicContact CD2-CG1 4.13Å; R229-V242 HydrophobicContact CG-CG1 4.01Å; Y230-V242 WeakPolarHBondContact O-CA 3.3Å
243D93.6Very high92.3Very high0 Ų054.6 Ų54.60%027%0.265CS..EExtended strand (participates in β ladder)trans-126.9149.2177.979.3-67.6000111.6K178 F179 Y230 K245K178-D243 WeakPolarHBondContact CE-OD2 3.32Å; K178-D243 WeakPolarHBondContact CG-OD2 3.42Å; F179-D243 CarbonylContact O-C 3.58Å; F179-D243 WeakPolarHBondContact O-CA 3.17Å; F179-D243 WeakPolarHBondContact O-CB 3.23Å; Y230-D243 VanDerWaalsContact CB-OD1 3.3Å; Y230-D243 WeakPolarHBondContact CB-OD1 3.3Å; Y230-D243 PolarHBondContact N-O 3.11Å; Y230-D243 PolarHBondContact O-N 3.28Å; D243-K245 WeakPolarHBondContact OD2-CE 3.14Å; D243-K245 IonicContact OD2-NZ 3.43Å
244V94.5Very high92.2Very high4 Ų448.6 Ų48.62%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-118.6118-178.6-178.40000108.9F68 F179 F191 L193 V227F68-V244 HydrophobicContact CE2-CB 4.36Å; F68-V244 HydrophobicContact CE2-CG1 3.74Å; F68-V244 HydrophobicContact CZ-CG1 4.48Å; F179-V244 PolarHBondContact N-O 3.31Å; F179-V244 PolarHBondContact O-N 2.82Å; F191-V244 HydrophobicContact CB-CG2 4.24Å; L193-V244 HydrophobicContact CD2-CG1 3.79Å; L193-V244 HydrophobicContact CD2-CG2 4.35Å; V227-V244 HydrophobicContact CG2-CG1 3.35Å
245K95.7Very high92Very high41 Ų4151.2 Ų51.218%0.17826%0.26CS..EExtended strand (participates in β ladder)trans-102.2122.3-179.4-61.8175-157.5164.70108.9I176 L177 K178 V227 R228 Y230 D243I176-K245 HydrophobicContact CG2-CB 4.06Å; I176-K245 HydrophobicContact CG2-CG 4.43Å; L177-K245 WeakPolarHBondContact O-CA 3.37Å; K178-K245 HydrophobicContact CB-CG 4.41Å; K178-K245 HydrophobicContact CG-CG 4.2Å; V227-K245 WeakPolarHBondContact CA-O 3.4Å; R228-K245 PolarHBondContact N-O 3.17Å; R228-K245 PolarHBondContact O-N 3.28Å; Y230-K245 HydrophobicContact CD2-CB 4.19Å; Y230-K245 HydrophobicContact CD2-CD 3.6Å; Y230-K245 HydrophobicContact CD2-CG 3.91Å; Y230-K245 HydrophobicContact CE2-CB 4Å; Y230-K245 HydrophobicContact CE2-CD 3.59Å; Y230-K245 HydrophobicContact CE2-CG 4.08Å; Y230-K245 HydrophobicContact CG-CD 4.3Å; D243-K245 WeakPolarHBondContact OD2-CE 3.14Å; D243-K245 IonicContact OD2-NZ 3.43Å
246I95.8Very high91.9Very high2 Ų248.3 Ų48.31%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-95.8122.6168.4-55.3177.9000107.2F68 I87 I176 L177 F179 V209 S226 V227 I248F68-I246 HydrophobicContact CB-CD1 3.85Å; F68-I246 HydrophobicContact CD1-CD1 3.6Å; F68-I246 HydrophobicContact CD2-CD1 3.9Å; F68-I246 HydrophobicContact CD2-CG1 4.31Å; F68-I246 HydrophobicContact CE1-CD1 4.01Å; F68-I246 HydrophobicContact CE2-CD1 4.3Å; F68-I246 HydrophobicContact CG-CD1 3.51Å; F68-I246 HydrophobicContact CG-CG1 4.39Å; F68-I246 HydrophobicContact CZ-CD1 4.35Å; I87-I246 HydrophobicContact CD1-CD1 4.24Å; I176-I246 CarbonylContact C-O 3.58Å; I176-I246 VanDerWaalsContact CA-O 3.29Å; I176-I246 WeakPolarHBondContact CA-O 3.44Å; L177-I246 HydrophobicContact CB-CB 4.42Å; L177-I246 HydrophobicContact CD1-CB 4.5Å; L177-I246 PolarHBondContact N-O 3.28Å; L177-I246 PolarHBondContact O-N 3Å; F179-I246 HydrophobicContact CD2-CD1 4.08Å; F179-I246 HydrophobicContact CD2-CG1 4.4Å; F179-I246 HydrophobicContact CE2-CD1 3.77Å; F179-I246 HydrophobicContact CE2-CG1 4.44Å; V209-I246 HydrophobicContact CG2-CG2 3.51Å; S226-I246 CarbonylContact O-C 3.57Å; S226-I246 WeakPolarHBondContact O-CA 3.14Å; V227-I246 HydrophobicContact CB-CG1 4.46Å; V227-I246 HydrophobicContact CG2-CG1 4.08Å; I246-I248 HydrophobicContact CG2-CD1 4.33Å; I246-I248 HydrophobicContact CG2-CG1 3.89Å
247A96.2Very high91.8Very high26 Ų2644.8 Ų44.822%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-107.3123.7172.300000109.5C175 I176 S225 S226C175-A247 WeakPolarHBondContact O-CA 3.26Å; I176-A247 HydrophobicContact CG1-CB 4.38Å; S225-A247 WeakPolarHBondContact CA-O 3.22Å; S226-A247 PolarHBondContact N-O 3Å; S226-A247 PolarHBondContact O-N 3.45Å
248I95.7Very high91.7Very high0 Ų044.8 Ų44.80%021%0.212CC..EExtended strand (participates in β ladder)trans-117.5119-177.5-53.6-175.7000107.7L70 L83 T85 C175 L177 L222 I246 L250L70-I248 HydrophobicContact CD1-CD1 4.22Å; L70-I248 HydrophobicContact CD2-CD1 4.06Å; L70-I248 HydrophobicContact CD2-CG2 4.47Å; L83-I248 HydrophobicContact CD2-CD1 4.42Å; T85-I248 HydrophobicContact CG2-CD1 4.22Å; C175-I248 PolarHBondContact N-O 3.36Å; C175-I248 PolarHBondContact O-N 3.22Å; L177-I248 HydrophobicContact CD1-CD1 3.56Å; L177-I248 HydrophobicContact CD1-CG1 4.06Å; L222-I248 HydrophobicContact CD1-CG2 3.46Å; L222-I248 VanDerWaalsContact CD1-CG2 3.46Å; I246-I248 HydrophobicContact CG2-CD1 4.33Å; I246-I248 HydrophobicContact CG2-CG1 3.89Å; I248-L250 HydrophobicContact CG2-CD1 4.48Å; I248-L250 HydrophobicContact CG2-CD2 3.72Å; I248-L250 HydrophobicContact CG2-CG 3.96Å
249T95.3Very high91.7Very high38 Ų3844.4 Ų44.423%0.23320%0.204CC..EExtended strand (participates in β ladder)trans-101.4126.1174.653.80000111Q173 S223 G224Q173-T249 CarbonylContact O-C 3.51Å; Q173-T249 WeakPolarHBondContact O-CA 3.4Å; S223-T249 PolarHBondContact N-O 3.36Å; G224-T249 WeakPolarHBondContact CA-OG1 3.32Å; G224-T249 PolarHBondContact N-O 3.27Å; G224-T249 PolarHBondContact N-OG1 2.84Å; G224-T249 VanDerWaalsContact N-OG1 3.13Å; G224-T249 PolarHBondContact O-N 3.24Å; G224-T249 PolarHBondContact O-OG1 2.95Å
250L94.3Very high91.6Very high0 Ų043.9 Ų43.90%021%0.208CC..EExtended strand (participates in β ladder)trans-126.1119-171.1-60.1177.8000110.4V73 V76 L83 E172 Q173 F220 H221 L222 I248V73-L250 HydrophobicContact CG1-CD1 4.09Å; V73-L250 HydrophobicContact CG2-CD2 4.08Å; V76-L250 HydrophobicContact CG2-CD1 3.93Å; L83-L250 HydrophobicContact CD1-CD1 4.07Å; E172-L250 CarbonylContact C-O 3.53Å; E172-L250 WeakPolarHBondContact CA-O 3.4Å; Q173-L250 PolarHBondContact N-O 3.12Å; Q173-L250 PolarHBondContact O-N 3.49Å; F220-L250 HydrophobicContact CB-CB 4.47Å; F220-L250 HydrophobicContact CD1-CB 4.07Å; H221-L250 CarbonylContact O-C 3.58Å; H221-L250 WeakPolarHBondContact O-CA 3.47Å; L222-L250 HydrophobicContact CB-CD2 4.45Å; L222-L250 HydrophobicContact CD1-CD2 3.86Å; I248-L250 HydrophobicContact CG2-CD1 4.48Å; I248-L250 HydrophobicContact CG2-CD2 3.72Å; I248-L250 HydrophobicContact CG2-CG 3.96Å
251Q92.7Very high91.3Very high63 Ų6340.8 Ų40.829%0.29419%0.191SC..EExtended strand (participates in β ladder)trans-97.8134.3174.6-174.6-177.646.900110.7F220 H221F220-Q251 WeakPolarHBondContact CA-O 3.36Å; H221-Q251 PolarHBondContact N-O 2.79Å; H221-Q251 PolarHBondContact O-N 3.42Å
252R92Very high90.9Very high10 Ų1041.2 Ų41.24%0.03819%0.194CC..EExtended strand (participates in β ladder)trans-77.3137.8179.2-168.1-178.6-55.6-85.9-5.6112.6E78 D171 E219 F220 A254 Y257E78-R252 IonicContact OE1-CZ 2.6Å; E78-R252 IonicContact OE1-NH1 2.79Å; E78-R252 PolarHBondContact OE1-NH1 2.92Å; E78-R252 IonicContact OE1-NH2 3.79Å; E78-R252 PolarHBondContact OE1-NH2 2.93Å; D171-R252 PolarHBondContact O-N 3.47Å; D171-R252 WeakPolarHBondContact OD1-CD 3.45Å; D171-R252 IonicContact OD1-CZ 3.85Å; D171-R252 IonicContact OD1-NE 2.84Å; D171-R252 PolarHBondContact OD1-NE 3.04Å; D171-R252 IonicContact OD1-NH2 3.31Å; D171-R252 IonicContact OD2-CZ 2.7Å; D171-R252 IonicContact OD2-NE 3.88Å; D171-R252 PolarHBondContact OD2-NE 3.48Å; D171-R252 VanDerWaalsContact OD2-NE 3.12Å; D171-R252 IonicContact OD2-NH2 2.81Å; D171-R252 PolarHBondContact OD2-NH2 3.25Å; E219-R252 IonicContact OE1-NH1 3.89Å; E219-R252 PolarHBondContact OE1-NH1 3.19Å; F220-R252 HydrophobicContact CE1-CB 4.36Å; R252-A254 PolarHBondContact O-N 2.92Å; R252-A254 VanDerWaalsContact O-N 3.07Å; R252-Y257 HydrophobicContact CG-CE2 4.4Å
253R90.5Very high90.6Very high114 Ų11443.6 Ų43.643%0.4321%0.209SC..  trans-80.782.2170.8-64.2177.3-178.9-68.3-4.5110.5G218 E219 L255G218-R253 WeakPolarHBondContact O-CD 3.33Å; E219-R253 WeakPolarHBondContact O-CB 3.32Å; E219-R253 WeakPolarHBondContact O-CG 3.45Å; E219-R253 PolarHBondContact O-N 3.21Å; R253-L255 PolarHBondContact O-N 3.01Å
254A87.2Confident90.4Very high2 Ų245 Ų452%0.01722%0.218CC..THydrogen-bonded Turntrans-51.5-24.1-172.800000116.5P169 F170 R252 Y256 Y257 V258P169-A254 HydrophobicContact CG-CB 4.41Å; P169-A254 WeakPolarHBondContact O-CB 3.37Å; F170-A254 HydrophobicContact CD1-CB 3.51Å; F170-A254 HydrophobicContact CE1-CB 3.55Å; F170-A254 HydrophobicContact CG-CB 4.34Å; F170-A254 HydrophobicContact CZ-CB 4.41Å; R252-A254 PolarHBondContact O-N 2.92Å; R252-A254 VanDerWaalsContact O-N 3.07Å; A254-Y256 VanDerWaalsContact C-N 3.31Å; A254-Y256 PolarHBondContact O-N 3.22Å; A254-Y256 VanDerWaalsContact O-N 3.11Å; A254-Y257 WeakPolarHBondContact O-CA 3.01Å; A254-Y257 WeakPolarHBondContact O-CB 2.96Å; A254-Y257 PolarHBondContact O-N 3.11Å; A254-V258 HydrophobicContact CB-CG2 4.32Å; A254-V258 PolarHBondContact O-N 3.34Å
255L86.4Confident89.9Confident109 Ų10944.9 Ų44.957%0.57122%0.217SC*.Hα-helixtrans-48.4-44-170.3-172.4153.2000114.3R253 Y257 V258 F259R253-L255 PolarHBondContact O-N 3.01Å; L255-Y257 VanDerWaalsContact C-N 3.31Å; L255-Y257 PolarHBondContact O-N 3.33Å; L255-V258 PolarHBondContact O-N 3.4Å; L255-F259 HydrophobicContact CD2-CD2 3.83Å; L255-F259 HydrophobicContact CD2-CE2 4Å; L255-F259 HydrophobicContact CG-CD2 4.15Å; L255-F259 HydrophobicContact CG-CE2 4.05Å; L255-F259 WeakPolarHBondContact O-CD2 3.48Å; L255-F259 PolarHBondContact O-N 2.84Å
256Y88.7Confident89.4Confident151 Ų15145.9 Ų45.959%0.59222%0.224SC*.Hα-helixtrans-59.3-41.9177.7173.9-96.1000112.2A254 N260A254-Y256 VanDerWaalsContact C-N 3.31Å; A254-Y256 PolarHBondContact O-N 3.22Å; A254-Y256 VanDerWaalsContact O-N 3.11Å; Y256-N260 WeakPolarHBondContact CD2-ND2 3.34Å; Y256-N260 VanDerWaalsContact CE2-ND2 3.32Å; Y256-N260 WeakPolarHBondContact CE2-ND2 3.44Å; Y256-N260 WeakPolarHBondContact O-CB 3.35Å; Y256-N260 PolarHBondContact O-N 3.48Å; Y256-N260 VanDerWaalsContact O-N 3.12Å; Y256-N260 PolarHBondContact O-ND2 3.26Å
257Y87.6Confident89Confident30 Ų3051.3 Ų51.312%0.11825%0.253CS..Hα-helixtrans-75.6-33.8178.6-60.3-90.2000111.9F168 P169 E219 R252 A254 L255 F259 L261 I262F168-Y257 HydrophobicContact CE1-CD1 4.26Å; F168-Y257 HydrophobicContact CE1-CE1 4.46Å; F168-Y257 HydrophobicContact CE2-CE1 4.14Å; F168-Y257 AromaticContact CZ-CD1 3.72Å; F168-Y257 HydrophobicContact CZ-CD1 3.72Å; F168-Y257 AromaticContact CZ-CE1 3.52Å; F168-Y257 HydrophobicContact CZ-CE1 3.52Å; P169-Y257 HydrophobicContact CB-CD1 4.34Å; P169-Y257 HydrophobicContact CB-CD2 3.97Å; P169-Y257 HydrophobicContact CB-CG 3.7Å; P169-Y257 HydrophobicContact CG-CG 4.33Å; E219-Y257 PolarHBondContact OE1-OH 3.34Å; R252-Y257 HydrophobicContact CG-CE2 4.4Å; A254-Y257 WeakPolarHBondContact O-CA 3.01Å; A254-Y257 WeakPolarHBondContact O-CB 2.96Å; A254-Y257 PolarHBondContact O-N 3.11Å; L255-Y257 VanDerWaalsContact C-N 3.31Å; L255-Y257 PolarHBondContact O-N 3.33Å; Y257-F259 VanDerWaalsContact C-N 3.34Å; Y257-F259 PolarHBondContact O-N 3.47Å; Y257-L261 HydrophobicContact CD1-CD1 4.32Å; Y257-L261 WeakPolarHBondContact O-CA 3.37Å; Y257-L261 WeakPolarHBondContact O-CB 3.36Å; Y257-L261 PolarHBondContact O-N 3.43Å; Y257-I262 PolarHBondContact O-N 2.85Å; Y257-I262 VanDerWaalsContact O-N 3.16Å
258V85.2Confident88.6Confident18 Ų1850.7 Ų50.711%0.10925%0.245CC..Iπ-helixtrans-56.2-49.8174.1178.30000110.5F170 A254 L255 I262 V263 F693F170-V258 HydrophobicContact CE1-CG2 4.26Å; F170-V258 HydrophobicContact CZ-CG2 4.1Å; A254-V258 HydrophobicContact CB-CG2 4.32Å; A254-V258 PolarHBondContact O-N 3.34Å; L255-V258 PolarHBondContact O-N 3.4Å; V258-I262 HydrophobicContact CG2-CD1 4.24Å; V258-I262 PolarHBondContact O-N 2.97Å; V258-V263 WeakPolarHBondContact O-CG2 3.16Å; V258-V263 PolarHBondContact O-N 3.41Å; V258-F693 HydrophobicContact CG1-CZ 4.3Å
259F87.4Confident88Confident128 Ų12851 Ų5156%0.56125%0.247SC*.Iπ-helixtrans-75.6-37.2-178.3-76.4-72.7000114.4L255 Y257 P264L255-F259 HydrophobicContact CD2-CD2 3.83Å; L255-F259 HydrophobicContact CD2-CE2 4Å; L255-F259 HydrophobicContact CG-CD2 4.15Å; L255-F259 HydrophobicContact CG-CE2 4.05Å; L255-F259 WeakPolarHBondContact O-CD2 3.48Å; L255-F259 PolarHBondContact O-N 2.84Å; Y257-F259 VanDerWaalsContact C-N 3.34Å; Y257-F259 PolarHBondContact O-N 3.47Å; F259-P264 WeakPolarHBondContact O-CD 3.44Å
260N87.8Confident87.6Confident85 Ų8550.7 Ų50.746%0.45525%0.252SS..Iπ-helixtrans-93.5-14.2-174.1-65.9-67.9000114.9Y256Y256-N260 WeakPolarHBondContact CD2-ND2 3.34Å; Y256-N260 VanDerWaalsContact CE2-ND2 3.32Å; Y256-N260 WeakPolarHBondContact CE2-ND2 3.44Å; Y256-N260 WeakPolarHBondContact O-CB 3.35Å; Y256-N260 PolarHBondContact O-N 3.48Å; Y256-N260 VanDerWaalsContact O-N 3.12Å; Y256-N260 PolarHBondContact O-ND2 3.26Å
261L85.5Confident87.3Confident7 Ų754.9 Ų54.94%0.03727%0.273CS..Iπ-helixtrans-125.2-56.2-174.4-163.1178000110.9F168 Y257 C265 V303 I317 F321F168-L261 HydrophobicContact CE1-CD1 4.17Å; Y257-L261 HydrophobicContact CD1-CD1 4.32Å; Y257-L261 WeakPolarHBondContact O-CA 3.37Å; Y257-L261 WeakPolarHBondContact O-CB 3.36Å; Y257-L261 PolarHBondContact O-N 3.43Å; L261-C265 PolarHBondContact O-N 3.04Å; L261-V303 HydrophobicContact CD1-CG2 3.65Å; L261-V303 HydrophobicContact CD2-CG2 4.13Å; L261-V303 HydrophobicContact CG-CG2 3.88Å; L261-I317 HydrophobicContact CD2-CD1 3.64Å; L261-I317 HydrophobicContact CD2-CG1 3.65Å; L261-F321 HydrophobicContact CD2-CE2 3.95Å; L261-F321 HydrophobicContact CD2-CZ 4.27Å
262I84.2Confident86.9Confident31 Ų3152.1 Ų52.116%0.15926%0.261CS..Iπ-helixtrans-71.6-50.8-173.2-55.1-177.3000111.3P169 F170 Y257 V258 C265 L266P169-I262 HydrophobicContact CG-CD1 4.35Å; F170-I262 HydrophobicContact CE2-CD1 3.89Å; F170-I262 HydrophobicContact CZ-CD1 3.96Å; Y257-I262 PolarHBondContact O-N 2.85Å; Y257-I262 VanDerWaalsContact O-N 3.16Å; V258-I262 HydrophobicContact CG2-CD1 4.24Å; V258-I262 PolarHBondContact O-N 2.97Å; I262-C265 PolarHBondContact O-N 2.93Å; I262-C265 VanDerWaalsContact O-N 3.15Å; I262-L266 HydrophobicContact CG2-CD1 4.02Å; I262-L266 HydrophobicContact CG2-CG 4.27Å; I262-L266 WeakPolarHBondContact O-CG 3.21Å; I262-L266 PolarHBondContact O-N 3.46Å
263V86.1Confident86.7Confident57 Ų5753.4 Ų53.435%0.34527%0.269SS..Hα-helixtrans-58.5-47.2-179.2168.50000112.6V258 C265 L266 L267V258-V263 WeakPolarHBondContact O-CG2 3.16Å; V258-V263 PolarHBondContact O-N 3.41Å; V263-C265 VanDerWaalsContact C-N 3.34Å; V263-C265 PolarHBondContact O-N 3.26Å; V263-L266 PolarHBondContact O-N 3.23Å; V263-L267 HydrophobicContact CG1-CD1 4.14Å; V263-L267 WeakPolarHBondContact O-CG 3.41Å; V263-L267 PolarHBondContact O-N 3.06Å
264P88.9Confident86.5Confident30 Ų3053.4 Ų53.420%0.19528%0.275CS..Hα-helixtrans-57.8-41.1173.2-28.436.7000113.7F259 L267 I268 F299F259-P264 WeakPolarHBondContact O-CD 3.44Å; P264-L267 PolarHBondContact O-N 2.89Å; P264-I268 WeakPolarHBondContact O-CD1 3.45Å; P264-I268 VanDerWaalsContact O-CG1 3.23Å; P264-I268 WeakPolarHBondContact O-CG1 3.35Å; P264-I268 PolarHBondContact O-N 2.92Å; P264-F299 HydrophobicContact CB-CE1 3.93Å; P264-F299 HydrophobicContact CB-CE2 4.46Å; P264-F299 HydrophobicContact CB-CZ 3.79Å; P264-F299 HydrophobicContact CG-CE1 4.43Å
265C84.4Confident86.6Confident0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-68-40.4-179.8-162.50000112.5L261 I262 V263 L267 I268 S269 Y320 F321L261-C265 PolarHBondContact O-N 3.04Å; I262-C265 PolarHBondContact O-N 2.93Å; I262-C265 VanDerWaalsContact O-N 3.15Å; V263-C265 VanDerWaalsContact C-N 3.34Å; V263-C265 PolarHBondContact O-N 3.26Å; C265-L267 VanDerWaalsContact C-N 3.33Å; C265-L267 PolarHBondContact O-N 2.94Å; C265-I268 PolarHBondContact O-N 2.7Å; C265-S269 PolarHBondContact O-N 2.79Å; C265-S269 PolarHBondContact O-OG 2.92Å; C265-Y320 HydrophobicContact CB-CE1 3.98Å; C265-Y320 WeakPolarHBondContact SG-CE1 3.47Å; C265-F321 HydrophobicContact CB-CE1 4.21Å; C265-F321 HydrophobicContact CB-CZ 4.03Å; C265-F321 WeakPolarHBondContact SG-CE1 3.38Å
266L84.7Confident86.7Confident63 Ų6348.4 Ų48.433%0.3325%0.248SC..Hα-helixtrans-59.7-42.7172.1-67.8175.9000111.6I262 V263 S269 G270 T679I262-L266 HydrophobicContact CG2-CD1 4.02Å; I262-L266 HydrophobicContact CG2-CG 4.27Å; I262-L266 WeakPolarHBondContact O-CG 3.21Å; I262-L266 PolarHBondContact O-N 3.46Å; V263-L266 PolarHBondContact O-N 3.23Å; L266-S269 PolarHBondContact O-OG 3.44Å; L266-G270 PolarHBondContact O-N 3.05Å; L266-T679 HydrophobicContact CD2-CG2 3.7Å
267L89.2Confident86.7Confident116 Ų11647.2 Ų47.261%0.60725%0.25SC*.Hα-helixtrans-63.2-43.4174.9-68.6170.6000112.4V263 P264 C265 G270 M271V263-L267 HydrophobicContact CG1-CD1 4.14Å; V263-L267 WeakPolarHBondContact O-CG 3.41Å; V263-L267 PolarHBondContact O-N 3.06Å; P264-L267 PolarHBondContact O-N 2.89Å; C265-L267 VanDerWaalsContact C-N 3.33Å; C265-L267 PolarHBondContact O-N 2.94Å; L267-G270 WeakPolarHBondContact O-CA 3.48Å; L267-G270 PolarHBondContact O-N 3.29Å; L267-M271 WeakPolarHBondContact O-CG 3.49Å; L267-M271 PolarHBondContact O-N 3.2Å
268I87.8Confident86.8Confident12 Ų1248.2 Ų48.26%0.06226%0.257CS..Hα-helixtrans-66.9-41.2-179.6-66.4161.3000111.7P264 C265 G270 M271 A272 I292 L296 F299P264-I268 WeakPolarHBondContact O-CD1 3.45Å; P264-I268 VanDerWaalsContact O-CG1 3.23Å; P264-I268 WeakPolarHBondContact O-CG1 3.35Å; P264-I268 PolarHBondContact O-N 2.92Å; C265-I268 PolarHBondContact O-N 2.7Å; I268-G270 VanDerWaalsContact C-N 3.29Å; I268-G270 PolarHBondContact O-N 2.9Å; I268-M271 HydrophobicContact CB-CE 4.38Å; I268-M271 HydrophobicContact CG1-CE 3.91Å; I268-M271 WeakPolarHBondContact O-CB 3.48Å; I268-M271 PolarHBondContact O-N 3.34Å; I268-M271 VanDerWaalsContact O-N 3.11Å; I268-A272 PolarHBondContact O-N 3.49Å; I268-I292 HydrophobicContact CG2-CG2 3.95Å; I268-L296 HydrophobicContact CB-CD2 4.4Å; I268-L296 HydrophobicContact CG2-CD1 4.45Å; I268-L296 HydrophobicContact CG2-CD2 3.64Å; I268-L296 HydrophobicContact CG2-CG 3.78Å; I268-F299 HydrophobicContact CD1-CD2 3.55Å; I268-F299 HydrophobicContact CD1-CE2 3.5Å; I268-F299 HydrophobicContact CD1-CZ 4.47Å
269S83.1Confident86.9Confident6 Ų650.7 Ų50.74%0.04227%0.273CS..Hα-helixtrans-63.6-34.1172.7680000112.3C265 L266 A272 Y320C265-S269 PolarHBondContact O-N 2.79Å; C265-S269 PolarHBondContact O-OG 2.92Å; L266-S269 PolarHBondContact O-OG 3.44Å; S269-A272 WeakPolarHBondContact O-CB 3.46Å; S269-A272 PolarHBondContact O-N 2.86Å; S269-Y320 PolarHBondContact OG-OH 3.32Å
270G85.3Confident86.9Confident33 Ų3345 Ų4534%0.3425%0.249SC..Hα-helixtrans-62.3-42.6167.700000113.5L266 L267 I268 A272 L273L266-G270 PolarHBondContact O-N 3.05Å; L267-G270 WeakPolarHBondContact O-CA 3.48Å; L267-G270 PolarHBondContact O-N 3.29Å; I268-G270 VanDerWaalsContact C-N 3.29Å; I268-G270 PolarHBondContact O-N 2.9Å; G270-A272 VanDerWaalsContact C-N 3.29Å; G270-A272 PolarHBondContact O-N 3.39Å; G270-L273 PolarHBondContact O-N 2.92Å
271M88.7Confident86.7Confident87 Ų8746.7 Ų46.743%0.42926%0.258SS..Hα-helixtrans-63.7-32.2175-65.6-163.2-61.800112.6L267 I268 L273 M274 I292L267-M271 WeakPolarHBondContact O-CG 3.49Å; L267-M271 PolarHBondContact O-N 3.2Å; I268-M271 HydrophobicContact CB-CE 4.38Å; I268-M271 HydrophobicContact CG1-CE 3.91Å; I268-M271 WeakPolarHBondContact O-CB 3.48Å; I268-M271 PolarHBondContact O-N 3.34Å; I268-M271 VanDerWaalsContact O-N 3.11Å; M271-L273 PolarHBondContact O-N 3.47Å; M271-M274 WeakPolarHBondContact O-CB 3.44Å; M271-M274 PolarHBondContact O-N 2.89Å; M271-I292 HydrophobicContact CB-CD1 3.81Å; M271-I292 HydrophobicContact CB-CG1 4.28Å; M271-I292 HydrophobicContact CE-CG1 4.48Å
272A85.3Confident86.8Confident6 Ų648.9 Ų48.95%0.0528%0.277CS..Hα-helixtrans-60.9-27.6177.100000113I268 S269 G270 I292I268-A272 PolarHBondContact O-N 3.49Å; S269-A272 WeakPolarHBondContact O-CB 3.46Å; S269-A272 PolarHBondContact O-N 2.86Å; G270-A272 VanDerWaalsContact C-N 3.29Å; G270-A272 PolarHBondContact O-N 3.39Å; A272-I292 HydrophobicContact CB-CG2 4.28Å
273L86.3Confident87Confident37 Ų3750 Ų5019%0.19430%0.297CS..Hα-helixtrans-76.1-27.7173.6-58-177.3000112.8G270 M271 V275 F276 F671 N675G270-L273 PolarHBondContact O-N 2.92Å; M271-L273 PolarHBondContact O-N 3.47Å; L273-V275 PolarHBondContact O-N 3.39Å; L273-F276 PolarHBondContact O-N 3.38Å; L273-F671 HydrophobicContact CD2-CB 4.32Å; L273-N675 HydrophobicContact CD2-CB 4.33Å
274M86.4Confident87.2Confident114 Ų11452.8 Ų52.856%0.56231%0.306SS*.Hα-helixtrans-69-22.2178.5-63.1-63.2171.800112.8M271 F276 M277 L278M271-M274 WeakPolarHBondContact O-CB 3.44Å; M271-M274 PolarHBondContact O-N 2.89Å; M274-F276 PolarHBondContact O-N 2.92Å; M274-M277 PolarHBondContact O-N 2.76Å; M274-M277 VanDerWaalsContact O-N 3.09Å; M274-M277 HydrophobicContact SD-CB 4.41Å; M274-M277 HydrophobicContact SD-CG 4.25Å; M274-L278 PolarHBondContact O-N 3.46Å
275V90Very high87.4Confident2 Ų251.4 Ų51.41%0.01230%0.297CS..Hα-helixtrans-55-41.7170.5-178.70000111L273 K285 L288 I292L273-V275 PolarHBondContact O-N 3.39Å; V275-K285 HydrophobicContact CG1-CG 4.01Å; V275-K285 VanDerWaalsContact O-CE 3.3Å; V275-K285 WeakPolarHBondContact O-CE 3.19Å; V275-K285 WeakPolarHBondContact O-CG 3.39Å; V275-K285 PolarHBondContact O-NZ 3.13Å; V275-L288 HydrophobicContact CG2-CB 4.5Å; V275-L288 HydrophobicContact CG2-CD2 4.03Å; V275-L288 HydrophobicContact CG2-CG 3.97Å; V275-I292 HydrophobicContact CG2-CD1 3.91Å
276F89Confident87.7Confident4 Ų454.8 Ų54.82%0.01831%0.314CS..Hα-helixtrans-80.2-19.1177.8-63.9-70.1000114L273 M274 S331 D664 C667 L668 F671L273-F276 PolarHBondContact O-N 3.38Å; M274-F276 PolarHBondContact O-N 2.92Å; F276-S331 WeakPolarHBondContact CE2-OG 3.35Å; F276-S331 WeakPolarHBondContact CZ-OG 3.47Å; F276-D664 WeakPolarHBondContact CD1-OD1 3.33Å; F276-C667 HydrophobicContact CD1-CB 3.92Å; F276-C667 HydrophobicContact CE1-CB 3.52Å; F276-C667 HydrophobicContact CZ-CB 4.03Å; F276-L668 HydrophobicContact CB-CB 3.65Å; F276-L668 HydrophobicContact CB-CD1 3.7Å; F276-L668 HydrophobicContact CB-CG 3.65Å; F276-L668 HydrophobicContact CG-CB 4.24Å; F276-F671 HydrophobicContact CD2-CB 4.27Å; F276-F671 HydrophobicContact CD2-CD2 4.4Å; F276-F671 HydrophobicContact CE1-CD2 4.24Å; F276-F671 HydrophobicContact CE1-CE2 4.48Å; F276-F671 HydrophobicContact CE2-CB 3.7Å; F276-F671 HydrophobicContact CE2-CD1 4.43Å; F276-F671 AromaticContact CE2-CD2 3.34Å; F276-F671 HydrophobicContact CE2-CD2 3.34Å; F276-F671 HydrophobicContact CE2-CE2 4.11Å; F276-F671 AromaticContact CE2-CG 3.56Å; F276-F671 HydrophobicContact CE2-CG 3.56Å; F276-F671 HydrophobicContact CZ-CB 4.49Å; F276-F671 AromaticContact CZ-CD2 3.24Å; F276-F671 HydrophobicContact CZ-CD2 3.24Å; F276-F671 AromaticContact CZ-CE2 3.57Å; F276-F671 HydrophobicContact CZ-CE2 3.57Å; F276-F671 AromaticContact CZ-CG 3.94Å; F276-F671 HydrophobicContact CZ-CG 3.94Å; F276-F671 HydrophobicContact CZ-CZ 4.46Å
277M87.3Confident88.1Confident126 Ų12654.5 Ų54.562%0.62132%0.317SS*.Hα-helixtrans-77.3-26.8171.5-71.9-65.7-17500112.7M274 L668M274-M277 PolarHBondContact O-N 2.76Å; M274-M277 VanDerWaalsContact O-N 3.09Å; M274-M277 HydrophobicContact SD-CB 4.41Å; M274-M277 HydrophobicContact SD-CG 4.25Å; M277-L668 HydrophobicContact CE-CD1 3.72Å; M277-L668 HydrophobicContact CE-CD2 4.13Å; M277-L668 HydrophobicContact CG-CD1 3.92Å; M277-L668 HydrophobicContact SD-CD1 3.57Å; M277-L668 VanDerWaalsContact SD-CD1 3.57Å
278L90.4Very high88.3Confident51 Ų5151.4 Ų51.427%0.26730%0.301SS..SBendtrans-72.7124.8-179.2-165.876.2000111M274 A282 E284 K285M274-L278 PolarHBondContact O-N 3.46Å; L278-A282 HydrophobicContact CD1-CB 4.39Å; L278-A282 HydrophobicContact CD2-CB 4.39Å; L278-A282 HydrophobicContact CG-CB 4.24Å; L278-E284 HydrophobicContact CD2-CB 4.13Å; L278-K285 HydrophobicContact CD2-CB 4.16Å; L278-K285 PolarHBondContact O-NZ 3.47Å
279P87.8Confident88.5Confident70 Ų7051.1 Ų51.146%0.45530%0.301SS..  trans-67.7145.1179.428.2-34.7000111.4D281 A282P279-D281 PolarHBondContact O-N 2.98Å; P279-A282 HydrophobicContact CG-CB 4.48Å; P279-A282 WeakPolarHBondContact O-CB 3.28Å; P279-A282 PolarHBondContact O-N 2.97Å; P279-A282 VanDerWaalsContact O-N 3.16Å
280P86.5Confident89Confident8 Ų853.8 Ų53.85%0.05232%0.317CS..G310 helixtrans-61.2-29.9-17825.1-34.9000113.3A282 G283 L339 H342P280-A282 PolarHBondContact O-N 3.25Å; P280-G283 PolarHBondContact O-N 3.29Å; P280-L339 HydrophobicContact CB-CD2 3.55Å; P280-H342 HydrophobicContact CB-CB 4.33Å; P280-H342 HydrophobicContact CG-CB 4.43Å
281D83.9Confident89.4Confident121 Ų12155.9 Ų55.965%0.64732%0.323SS*.G310 helixtrans-58.5-18.3177-56.7-73.8000114.3P279 H342P279-D281 PolarHBondContact O-N 2.98Å; D281-H342 IonicContact OD1-CE1 3.53Å; D281-H342 PolarHBondContact OD1-CE1 3.44Å; D281-H342 VanDerWaalsContact OD1-CE1 3.31Å; D281-H342 IonicContact OD1-NE2 3.96Å
282A87.7Confident89.5Confident52 Ų5251.9 Ų51.943%0.4330%0.304SS..G310 helixtrans-80.1-13.2-179.500000114.4L278 P279 P280 E284L278-A282 HydrophobicContact CD1-CB 4.39Å; L278-A282 HydrophobicContact CD2-CB 4.39Å; L278-A282 HydrophobicContact CG-CB 4.24Å; P279-A282 HydrophobicContact CG-CB 4.48Å; P279-A282 WeakPolarHBondContact O-CB 3.28Å; P279-A282 PolarHBondContact O-N 2.97Å; P279-A282 VanDerWaalsContact O-N 3.16Å; P280-A282 PolarHBondContact O-N 3.25Å; A282-E284 PolarHBondContact O-N 3.1Å
283G87.7Confident89.9Confident56 Ų5653.8 Ų53.858%0.57731%0.312SS*.SBendtrans72.7-38.7-179.200000116P280 K285P280-G283 PolarHBondContact O-N 3.29Å; G283-K285 PolarHBondContact O-N 3.02Å
284E91.4Very high90.2Very high115 Ų11557.4 Ų57.454%0.53733%0.332SS..THydrogen-bonded Turntrans-68.90.6-173.6-67.9-58.6144.200115.7L278 A282 I286 S287 L288L278-E284 HydrophobicContact CD2-CB 4.13Å; A282-E284 PolarHBondContact O-N 3.1Å; E284-I286 PolarHBondContact O-N 3.48Å; E284-S287 WeakPolarHBondContact O-CB 3.36Å; E284-S287 PolarHBondContact O-N 3.23Å; E284-S287 WeakPolarHBondContact OE2-CB 3.39Å; E284-S287 PolarHBondContact OE2-OG 3.25Å; E284-L288 PolarHBondContact O-N 3.13Å
285K91.7Very high90.5Very high1 Ų153.5 Ų53.50%0.00432%0.316CS..Hα-helixtrans-61.8-39.7-173.4-159.4179.9173.6930113V275 L278 G283 G289 T335 D664V275-K285 HydrophobicContact CG1-CG 4.01Å; V275-K285 VanDerWaalsContact O-CE 3.3Å; V275-K285 WeakPolarHBondContact O-CE 3.19Å; V275-K285 WeakPolarHBondContact O-CG 3.39Å; V275-K285 PolarHBondContact O-NZ 3.13Å; L278-K285 HydrophobicContact CD2-CB 4.16Å; L278-K285 PolarHBondContact O-NZ 3.47Å; G283-K285 PolarHBondContact O-N 3.02Å; K285-G289 PolarHBondContact O-N 3.15Å; K285-T335 HydrophobicContact CB-CG2 4.26Å; K285-T335 HydrophobicContact CD-CG2 3.83Å; K285-T335 HydrophobicContact CG-CG2 3.74Å; K285-D664 WeakPolarHBondContact CE-OD1 3.29Å; K285-D664 IonicContact NZ-OD1 2.71Å; K285-D664 PolarHBondContact NZ-OD1 3.42Å; K285-D664 IonicContact NZ-OD2 3.67Å; K285-D664 PolarHBondContact NZ-OD2 3Å
286I92.1Very high90.6Very high70 Ų7053.4 Ų53.436%0.35932%0.315SS..Hα-helixtrans-73.4-40.6175.3-63.4172.9000110.9E284 L288 G289 V290 T335 V336 L339E284-I286 PolarHBondContact O-N 3.48Å; I286-L288 PolarHBondContact O-N 3.38Å; I286-G289 PolarHBondContact O-N 3.3Å; I286-V290 HydrophobicContact CG2-CG2 4.1Å; I286-V290 WeakPolarHBondContact O-CG2 3.15Å; I286-V290 PolarHBondContact O-N 3.41Å; I286-T335 HydrophobicContact CG1-CG2 4.11Å; I286-V336 HydrophobicContact CD1-CG2 4.12Å; I286-V336 HydrophobicContact CG1-CG2 4.49Å; I286-L339 HydrophobicContact CD1-CD1 3.61Å; I286-L339 HydrophobicContact CG1-CD1 3.62Å
287S92.7Very high90.7Very high57 Ų5755.9 Ų55.940%0.39933%0.33SS..Hα-helixtrans-55.6-49.7177.7-178.50000111.2E284 V290 T291E284-S287 WeakPolarHBondContact O-CB 3.36Å; E284-S287 PolarHBondContact O-N 3.23Å; E284-S287 WeakPolarHBondContact OE2-CB 3.39Å; E284-S287 PolarHBondContact OE2-OG 3.25Å; S287-V290 PolarHBondContact O-N 3.34Å; S287-T291 VanDerWaalsContact O-CG2 3.3Å; S287-T291 WeakPolarHBondContact O-CG2 3.28Å; S287-T291 PolarHBondContact O-N 2.95Å; S287-T291 PolarHBondContact O-OG1 2.92Å
288L92.6Very high90.9Very high52 Ų5255 Ų5527%0.27233%0.326SS..Hα-helixtrans-61.7-45.6175-175.761.8000112.5V275 E284 I286 V290 T291 I292V275-L288 HydrophobicContact CG2-CB 4.5Å; V275-L288 HydrophobicContact CG2-CD2 4.03Å; V275-L288 HydrophobicContact CG2-CG 3.97Å; E284-L288 PolarHBondContact O-N 3.13Å; I286-L288 PolarHBondContact O-N 3.38Å; L288-V290 PolarHBondContact O-N 3.4Å; L288-T291 PolarHBondContact O-OG1 2.87Å; L288-I292 HydrophobicContact CD1-CD1 3.97Å; L288-I292 HydrophobicContact CD1-CG1 4.46Å; L288-I292 HydrophobicContact CG-CD1 3.91Å; L288-I292 WeakPolarHBondContact O-CB 3.4Å; L288-I292 WeakPolarHBondContact O-CD1 3.48Å; L288-I292 VanDerWaalsContact O-CG1 3.25Å; L288-I292 WeakPolarHBondContact O-CG1 3.29Å; L288-I292 PolarHBondContact O-N 2.98Å; L288-I292 VanDerWaalsContact O-N 3.12Å
289G92.2Very high90.9Very high5 Ų554.4 Ų54.45%0.05232%0.321CS..Hα-helixtrans-61.1-45.1178.200000113.6K285 I286 I292 L293K285-G289 PolarHBondContact O-N 3.15Å; I286-G289 PolarHBondContact O-N 3.3Å; G289-I292 PolarHBondContact O-N 2.94Å; G289-L293 PolarHBondContact O-N 3.13Å; G289-L293 VanDerWaalsContact O-N 3.1Å
290V93.4Very high90.9Very high62 Ų6253.4 Ų53.438%0.37631%0.312SS..Hα-helixtrans-69.5-41.2-179173.30000111.8I286 S287 L288 I292 L293 L294I286-V290 HydrophobicContact CG2-CG2 4.1Å; I286-V290 WeakPolarHBondContact O-CG2 3.15Å; I286-V290 PolarHBondContact O-N 3.41Å; S287-V290 PolarHBondContact O-N 3.34Å; L288-V290 PolarHBondContact O-N 3.4Å; V290-I292 VanDerWaalsContact C-N 3.33Å; V290-I292 PolarHBondContact O-N 3.29Å; V290-L293 PolarHBondContact O-N 2.84Å; V290-L294 HydrophobicContact CG1-CD1 4.12Å; V290-L294 HydrophobicContact CG1-CG 4.48Å; V290-L294 WeakPolarHBondContact O-CG 3.45Å; V290-L294 PolarHBondContact O-N 3.41Å
291T93.9Very high91.1Very high77 Ų7758.5 Ų58.547%0.47234%0.335SS..Hα-helixtrans-63.7-37.6176.254.90000112.5S287 L288 L294 S295S287-T291 VanDerWaalsContact O-CG2 3.3Å; S287-T291 WeakPolarHBondContact O-CG2 3.28Å; S287-T291 PolarHBondContact O-N 2.95Å; S287-T291 PolarHBondContact O-OG1 2.92Å; L288-T291 PolarHBondContact O-OG1 2.87Å; T291-L294 PolarHBondContact O-N 3.49Å; T291-S295 PolarHBondContact O-N 3.41Å
292I92.4Very high91.3Very high4 Ų456.9 Ų56.92%0.02133%0.326CS..Hα-helixtrans-60.9-48.1171.8-72.1165.7000111.1I268 M271 A272 V275 L288 G289 V290 L294 S295 L296I268-I292 HydrophobicContact CG2-CG2 3.95Å; M271-I292 HydrophobicContact CB-CD1 3.81Å; M271-I292 HydrophobicContact CB-CG1 4.28Å; M271-I292 HydrophobicContact CE-CG1 4.48Å; A272-I292 HydrophobicContact CB-CG2 4.28Å; V275-I292 HydrophobicContact CG2-CD1 3.91Å; L288-I292 HydrophobicContact CD1-CD1 3.97Å; L288-I292 HydrophobicContact CD1-CG1 4.46Å; L288-I292 HydrophobicContact CG-CD1 3.91Å; L288-I292 WeakPolarHBondContact O-CB 3.4Å; L288-I292 WeakPolarHBondContact O-CD1 3.48Å; L288-I292 VanDerWaalsContact O-CG1 3.25Å; L288-I292 WeakPolarHBondContact O-CG1 3.29Å; L288-I292 PolarHBondContact O-N 2.98Å; L288-I292 VanDerWaalsContact O-N 3.12Å; G289-I292 PolarHBondContact O-N 2.94Å; V290-I292 VanDerWaalsContact C-N 3.33Å; V290-I292 PolarHBondContact O-N 3.29Å; I292-L294 PolarHBondContact O-N 2.76Å; I292-S295 PolarHBondContact O-N 3.2Å; I292-S295 PolarHBondContact O-OG 2.77Å; I292-L296 HydrophobicContact CG2-CD1 4.29Å; I292-L296 PolarHBondContact O-N 2.84Å
293L92.2Very high91.4Very high45 Ų4554.7 Ų54.724%0.23631%0.307CS..Hα-helixtrans-61.3-41.2178.6-175.264.6000112.5G289 V290 L296 T297 M325 C328 I332G289-L293 PolarHBondContact O-N 3.13Å; G289-L293 VanDerWaalsContact O-N 3.1Å; V290-L293 PolarHBondContact O-N 2.84Å; L293-L296 PolarHBondContact O-N 3.44Å; L293-T297 PolarHBondContact O-N 3.29Å; L293-T297 VanDerWaalsContact O-N 3.16Å; L293-T297 PolarHBondContact O-OG1 3.38Å; L293-M325 HydrophobicContact CD1-CB 4.46Å; L293-C328 HydrophobicContact CD1-CB 4.34Å; L293-I332 HydrophobicContact CB-CD1 4.1Å; L293-I332 HydrophobicContact CD2-CD1 3.9Å
294L93.6Very high91.4Very high114 Ų11454.7 Ų54.760%0.59730%0.302SS*.Hα-helixtrans-64.4-40.3175.3-70.8171.4000112.1V290 T291 I292 T297 M298V290-L294 HydrophobicContact CG1-CD1 4.12Å; V290-L294 HydrophobicContact CG1-CG 4.48Å; V290-L294 WeakPolarHBondContact O-CG 3.45Å; V290-L294 PolarHBondContact O-N 3.41Å; T291-L294 PolarHBondContact O-N 3.49Å; I292-L294 PolarHBondContact O-N 2.76Å; L294-T297 PolarHBondContact O-N 3.19Å; L294-M298 PolarHBondContact O-N 3.16Å
295S93Very high91.3Very high32 Ų3254.2 Ų54.222%0.22430%0.303CS..Hα-helixtrans-64.7-42.1177.274.30000112.3T291 I292 T297 M298 F299T291-S295 PolarHBondContact O-N 3.41Å; I292-S295 PolarHBondContact O-N 3.2Å; I292-S295 PolarHBondContact O-OG 2.77Å; S295-T297 VanDerWaalsContact C-N 3.3Å; S295-T297 PolarHBondContact O-N 3.39Å; S295-M298 PolarHBondContact O-N 3.32Å; S295-F299 VanDerWaalsContact O-CD2 3.3Å; S295-F299 WeakPolarHBondContact O-CD2 3.36Å; S295-F299 PolarHBondContact O-N 2.9Å
296L90.7Very high91Very high0 Ų060.5 Ų60.50%033%0.33CS..Hα-helixtrans-58.5-42.1174-71.4169.4000111.6I268 I292 L293 F299 L300 F321 T324 M325 C328I268-L296 HydrophobicContact CB-CD2 4.4Å; I268-L296 HydrophobicContact CG2-CD1 4.45Å; I268-L296 HydrophobicContact CG2-CD2 3.64Å; I268-L296 HydrophobicContact CG2-CG 3.78Å; I292-L296 HydrophobicContact CG2-CD1 4.29Å; I292-L296 PolarHBondContact O-N 2.84Å; L293-L296 PolarHBondContact O-N 3.44Å; L296-F299 PolarHBondContact O-N 3.06Å; L296-L300 PolarHBondContact O-N 3.16Å; L296-F321 HydrophobicContact CD2-CD1 4.16Å; L296-F321 HydrophobicContact CD2-CE1 4.21Å; L296-T324 HydrophobicContact CD1-CG2 3.88Å; L296-T324 HydrophobicContact CD2-CG2 4.04Å; L296-M325 HydrophobicContact CB-CE 4.03Å; L296-M325 HydrophobicContact CB-CG 4.09Å; L296-M325 HydrophobicContact CD1-CG 4.48Å; L296-M325 WeakPolarHBondContact O-CE 3.41Å; L296-C328 HydrophobicContact CD1-CB 4.2Å
297T91.2Very high90.8Very high56 Ų5657.6 Ų57.634%0.34432%0.315SS..Hα-helixtrans-63-42.7177.1-59.80000111.9L293 L294 S295 L300 Q301L293-T297 PolarHBondContact O-N 3.29Å; L293-T297 VanDerWaalsContact O-N 3.16Å; L293-T297 PolarHBondContact O-OG1 3.38Å; L294-T297 PolarHBondContact O-N 3.19Å; S295-T297 VanDerWaalsContact C-N 3.3Å; S295-T297 PolarHBondContact O-N 3.39Å; T297-L300 PolarHBondContact O-N 3.38Å; T297-Q301 WeakPolarHBondContact O-CG 3.49Å; T297-Q301 PolarHBondContact O-N 3.37Å
298M92.1Very high90.7Very high107 Ų10755.4 Ų55.453%0.52730%0.3SS..Hα-helixtrans-63.4-42.4176-164.2-158.887.700112.1L294 S295 Q301 L302L294-M298 PolarHBondContact O-N 3.16Å; S295-M298 PolarHBondContact O-N 3.32Å; M298-Q301 PolarHBondContact O-N 2.93Å; M298-L302 PolarHBondContact O-N 2.78Å; M298-L302 VanDerWaalsContact O-N 3.08Å
299F89.5Confident90.5Very high39 Ų3961.5 Ų61.517%0.17133%0.327CS..Hα-helixtrans-67.1-39.4177.2-85-74.2000112.5P264 I268 S295 L296 Q301 L302 V303 F321P264-F299 HydrophobicContact CB-CE1 3.93Å; P264-F299 HydrophobicContact CB-CE2 4.46Å; P264-F299 HydrophobicContact CB-CZ 3.79Å; P264-F299 HydrophobicContact CG-CE1 4.43Å; I268-F299 HydrophobicContact CD1-CD2 3.55Å; I268-F299 HydrophobicContact CD1-CE2 3.5Å; I268-F299 HydrophobicContact CD1-CZ 4.47Å; S295-F299 VanDerWaalsContact O-CD2 3.3Å; S295-F299 WeakPolarHBondContact O-CD2 3.36Å; S295-F299 PolarHBondContact O-N 2.9Å; L296-F299 PolarHBondContact O-N 3.06Å; F299-Q301 VanDerWaalsContact C-N 3.35Å; F299-Q301 PolarHBondContact O-N 3.04Å; F299-L302 PolarHBondContact O-N 3.21Å; F299-V303 WeakPolarHBondContact O-CG2 3.47Å; F299-V303 PolarHBondContact O-N 3.06Å; F299-F321 HydrophobicContact CB-CE1 3.68Å; F299-F321 HydrophobicContact CB-CZ 3.77Å
300L87.7Confident90.1Very high48 Ų4863.2 Ų63.225%0.25134%0.337SS..Hα-helixtrans-63.8-39.4173.9179.659.3000112L296 T297 V303 A304 F321 M325L296-L300 PolarHBondContact O-N 3.16Å; T297-L300 PolarHBondContact O-N 3.38Å; L300-V303 PolarHBondContact O-N 3.21Å; L300-A304 WeakPolarHBondContact O-CB 3.32Å; L300-A304 PolarHBondContact O-N 3.43Å; L300-F321 HydrophobicContact CB-CB 4.33Å; L300-F321 HydrophobicContact CB-CD1 4.44Å; L300-F321 HydrophobicContact CB-CG 4.24Å; L300-F321 HydrophobicContact CD1-CB 3.91Å; L300-F321 HydrophobicContact CD1-CD2 4.19Å; L300-F321 HydrophobicContact CD1-CG 4.23Å; L300-F321 HydrophobicContact CD2-CB 4.42Å; L300-F321 HydrophobicContact CG-CB 4.44Å; L300-M325 HydrophobicContact CB-CE 3.53Å; L300-M325 HydrophobicContact CD2-CE 3.53Å; L300-M325 HydrophobicContact CD2-SD 3.83Å; L300-M325 HydrophobicContact CG-CE 4.17Å
301Q91Very high89.7Confident116 Ų11666.2 Ų66.254%0.54236%0.36SS..Hα-helixtrans-60.3-44.3174.7-76.2174.2-20.800111.8T297 M298 F299 V303 A304 D305T297-Q301 WeakPolarHBondContact O-CG 3.49Å; T297-Q301 PolarHBondContact O-N 3.37Å; M298-Q301 PolarHBondContact O-N 2.93Å; F299-Q301 VanDerWaalsContact C-N 3.35Å; F299-Q301 PolarHBondContact O-N 3.04Å; Q301-V303 PolarHBondContact O-N 3.2Å; Q301-A304 PolarHBondContact O-N 3.29Å; Q301-A304 VanDerWaalsContact O-N 3.14Å; Q301-D305 PolarHBondContact O-N 3.42Å
302L89.5Confident89.3Confident87 Ų8770.5 Ų70.546%0.45538%0.375SS..Hα-helixtrans-58.6-34.6176-177.5153000112.8M298 F299 K306M298-L302 PolarHBondContact O-N 2.78Å; M298-L302 VanDerWaalsContact O-N 3.08Å; F299-L302 PolarHBondContact O-N 3.21Å; L302-K306 WeakPolarHBondContact O-CG 3.41Å
303V88.1Confident88.7Confident5 Ų571.7 Ų71.73%0.0339%0.386CS..Hα-helixtrans-75.2-44.5174-178.10000111.4L261 F299 L300 Q301 D305 K306 L307 I317 F321L261-V303 HydrophobicContact CD1-CG2 3.65Å; L261-V303 HydrophobicContact CD2-CG2 4.13Å; L261-V303 HydrophobicContact CG-CG2 3.88Å; F299-V303 WeakPolarHBondContact O-CG2 3.47Å; F299-V303 PolarHBondContact O-N 3.06Å; L300-V303 PolarHBondContact O-N 3.21Å; Q301-V303 PolarHBondContact O-N 3.2Å; V303-D305 VanDerWaalsContact C-N 3.26Å; V303-D305 PolarHBondContact O-N 2.84Å; V303-K306 PolarHBondContact O-N 2.97Å; V303-L307 HydrophobicContact CG1-CD1 3.8Å; V303-L307 HydrophobicContact CG1-CG 4.32Å; V303-L307 PolarHBondContact O-N 3.16Å; V303-I317 HydrophobicContact CG1-CG2 4.21Å; V303-F321 HydrophobicContact CG2-CE2 4.06Å
304A88.3Confident88.4Confident56 Ų5675.1 Ų75.146%0.46340%0.403SS..Hα-helixtrans-63.9-29179.300000113.2L300 Q301 K306L300-A304 WeakPolarHBondContact O-CB 3.32Å; L300-A304 PolarHBondContact O-N 3.43Å; Q301-A304 PolarHBondContact O-N 3.29Å; Q301-A304 VanDerWaalsContact O-N 3.14Å; A304-K306 PolarHBondContact O-N 3.39Å
305D89.3Confident88.1Confident106 Ų10670.5 Ų70.557%0.56738%0.379SS*.THydrogen-bonded Turntrans-70.6-19.1174.6-90.2-33.3000113.9K79 Q301 V303K79-D305 PolarHBondContact NZ-O 3.36Å; K79-D305 IonicContact NZ-OD1 3.61Å; Q301-D305 PolarHBondContact O-N 3.42Å; V303-D305 VanDerWaalsContact C-N 3.26Å; V303-D305 PolarHBondContact O-N 2.84Å
306K84.9Confident87.7Confident132 Ų13270.8 Ų70.857%0.57438%0.378SS*.THydrogen-bonded Turntrans-101.2-21.7-176.8-70.4-64.1-173.9176.40114.7L302 V303 A304L302-K306 WeakPolarHBondContact O-CG 3.41Å; V303-K306 PolarHBondContact O-N 2.97Å; A304-K306 PolarHBondContact O-N 3.39Å
307L88.6Confident87.4Confident10 Ų1071.4 Ų71.45%0.05238%0.382CS..SBendtrans-95.4154179.5-62.6179000111.5I165 F168 V303 P315I165-L307 HydrophobicContact CG2-CD2 4.16Å; F168-L307 HydrophobicContact CD1-CD2 4.11Å; F168-L307 HydrophobicContact CD2-CD2 3.85Å; F168-L307 HydrophobicContact CE1-CD2 4.22Å; F168-L307 HydrophobicContact CE2-CD2 3.95Å; F168-L307 HydrophobicContact CG-CD2 3.91Å; F168-L307 HydrophobicContact CZ-CD2 4.13Å; V303-L307 HydrophobicContact CG1-CD1 3.8Å; V303-L307 HydrophobicContact CG1-CG 4.32Å; V303-L307 PolarHBondContact O-N 3.16Å; L307-P315 HydrophobicContact CD1-CB 4.06Å; L307-P315 HydrophobicContact CD1-CG 3.74Å
308P90.8Very high87.1Confident11 Ų1169.1 Ų69.17%0.07137%0.369CS..  trans-59.8150.9167.422.6-31.4000111.6E78 Q81 I165 T310E78-P308 VanDerWaalsContact O-CB 3.29Å; E78-P308 WeakPolarHBondContact O-CB 3.05Å; E78-P308 WeakPolarHBondContact O-CD 3.43Å; E78-P308 WeakPolarHBondContact O-CG 3.43Å; Q81-P308 HydrophobicContact CG-CB 4.25Å; I165-P308 HydrophobicContact CG2-CG 3.76Å; P308-T310 HydrophobicContact CB-CG2 4.14Å; P308-T310 PolarHBondContact O-N 2.93Å
309Q87.2Confident86.8Confident179 Ų17967.7 Ų67.784%0.83636%0.363SS*.  trans-83.948.6176.6-63-176.3-10.700111.3
310T85.6Confident86.7Confident42 Ų4266.1 Ų66.126%0.25836%0.356SS..  trans-90145.4-178.2410000112.4P308P308-T310 HydrophobicContact CB-CG2 4.14Å; P308-T310 PolarHBondContact O-N 2.93Å
311S85Confident86.6Confident125 Ų12563.9 Ų63.987%0.87434%0.344SS*.SBendtrans-103.93.5178.4-56.10000113.8
312E84.2Confident86.5Confident166 Ų16661.4 Ų61.478%0.77634%0.339SS*.SBendtrans-72.9-37.5-175.1-60.9-170.6141.600112.6
313A80.9Confident86.4Confident30 Ų3059.8 Ų59.825%0.24834%0.335CS..  trans-142.8141175.700000110.2L166L166-A313 HydrophobicContact CB-CB 4.43Å
314I85Confident86.3Confident116 Ų11659.6 Ų59.660%0.59533%0.334SS*.  trans-90.1125.3169.1-55.8176.4000107.1I319I314-I319 HydrophobicContact CB-CD1 4.48Å; I314-I319 HydrophobicContact CB-CG1 4.28Å; I314-I319 HydrophobicContact CG2-CD1 4.42Å; I314-I319 HydrophobicContact CG2-CG1 3.7Å
315P87.7Confident86.4Confident17 Ų1758.3 Ų58.311%0.1132%0.319CS..  trans-64.9140.2-17829.1-37.1000110.5I165 L307 I317 G318 I319I165-P315 HydrophobicContact CB-CB 4.45Å; I165-P315 HydrophobicContact CD1-CB 4.49Å; I165-P315 HydrophobicContact CD1-CG 4.34Å; I165-P315 HydrophobicContact CG1-CB 4.38Å; I165-P315 VanDerWaalsContact O-CB 3.28Å; I165-P315 WeakPolarHBondContact O-CB 3.34Å; L307-P315 HydrophobicContact CD1-CB 4.06Å; L307-P315 HydrophobicContact CD1-CG 3.74Å; P315-I317 HydrophobicContact CB-CG2 4.13Å; P315-I317 PolarHBondContact O-N 3.11Å; P315-I317 VanDerWaalsContact O-N 3.1Å; P315-G318 WeakPolarHBondContact O-CA 3.48Å; P315-G318 PolarHBondContact O-N 3.28Å; P315-I319 PolarHBondContact O-N 3.46Å; P315-I319 VanDerWaalsContact O-N 3.12Å
316L84.4Confident86.5Confident38 Ų3859.6 Ų59.620%0.19932%0.319CS..Hα-helixtrans-52.5-38.9-177.6-177.371.1000112.6L166 W167 G318 I319 Y320L166-L316 WeakPolarHBondContact O-CB 3.43Å; L166-L316 PolarHBondContact O-N 3.15Å; L166-L316 VanDerWaalsContact O-N 3.08Å; W167-L316 HydrophobicContact CE3-CD2 4.46Å; W167-L316 HydrophobicContact CZ3-CD2 4.2Å; L316-G318 VanDerWaalsContact C-N 3.34Å; L316-G318 PolarHBondContact O-N 3.39Å; L316-I319 WeakPolarHBondContact O-CB 3.39Å; L316-I319 PolarHBondContact O-N 2.73Å; L316-Y320 PolarHBondContact O-N 2.9Å
317I83.8Confident86.7Confident14 Ų1454.9 Ų54.97%0.07230%0.3CS..Hα-helixtrans-64.5-34.8176.4-172.956.8000112.9F168 L261 V303 P315 Y320 F321F168-I317 HydrophobicContact CD1-CG2 4.08Å; L261-I317 HydrophobicContact CD2-CD1 3.64Å; L261-I317 HydrophobicContact CD2-CG1 3.65Å; V303-I317 HydrophobicContact CG1-CG2 4.21Å; P315-I317 HydrophobicContact CB-CG2 4.13Å; P315-I317 PolarHBondContact O-N 3.11Å; P315-I317 VanDerWaalsContact O-N 3.1Å; I317-Y320 HydrophobicContact CD1-CD1 3.95Å; I317-Y320 PolarHBondContact O-N 2.88Å; I317-F321 HydrophobicContact CD1-CD2 4.17Å; I317-F321 HydrophobicContact CD1-CE2 3.87Å; I317-F321 HydrophobicContact CG1-CD2 4.07Å; I317-F321 HydrophobicContact CG1-CE2 3.87Å; I317-F321 VanDerWaalsContact O-CD2 3.26Å; I317-F321 WeakPolarHBondContact O-CD2 3.07Å; I317-F321 PolarHBondContact O-N 3.25Å
318G86.2Confident86.7Confident8 Ų854.7 Ų54.78%0.08230%0.299CS..Hα-helixtrans-70.3-35.1174.600000112.4P315 L316 S322P315-G318 WeakPolarHBondContact O-CA 3.48Å; P315-G318 PolarHBondContact O-N 3.28Å; L316-G318 VanDerWaalsContact C-N 3.34Å; L316-G318 PolarHBondContact O-N 3.39Å; G318-S322 WeakPolarHBondContact O-CB 3.45Å; G318-S322 PolarHBondContact O-N 3.03Å; G318-S322 PolarHBondContact O-OG 3.12Å
319I86Confident86.8Confident76 Ų7656.4 Ų56.439%0.3931%0.312SS..Hα-helixtrans-63.4-46.1171.6-57.6176.2000109.7I314 P315 L316 S322 C323I314-I319 HydrophobicContact CB-CD1 4.48Å; I314-I319 HydrophobicContact CB-CG1 4.28Å; I314-I319 HydrophobicContact CG2-CD1 4.42Å; I314-I319 HydrophobicContact CG2-CG1 3.7Å; P315-I319 PolarHBondContact O-N 3.46Å; P315-I319 VanDerWaalsContact O-N 3.12Å; L316-I319 WeakPolarHBondContact O-CB 3.39Å; L316-I319 PolarHBondContact O-N 2.73Å; I319-S322 PolarHBondContact O-N 3.28Å; I319-C323 PolarHBondContact O-N 2.94Å; I319-C323 PolarHBondContact O-SG 3.16Å; I319-C323 VanDerWaalsContact O-SG 3.38Å
320Y85.7Confident87Confident7 Ų750.8 Ų50.83%0.02729%0.287CS..Hα-helixtrans-58.4-49.4175.9172.1-145.6000112.9C265 S269 L316 I317 S322 C323 T324 V678 I682C265-Y320 HydrophobicContact CB-CE1 3.98Å; C265-Y320 WeakPolarHBondContact SG-CE1 3.47Å; S269-Y320 PolarHBondContact OG-OH 3.32Å; L316-Y320 PolarHBondContact O-N 2.9Å; I317-Y320 HydrophobicContact CD1-CD1 3.95Å; I317-Y320 PolarHBondContact O-N 2.88Å; Y320-S322 VanDerWaalsContact C-N 3.32Å; Y320-S322 PolarHBondContact O-N 2.94Å; Y320-C323 PolarHBondContact O-N 2.98Å; Y320-T324 WeakPolarHBondContact CD2-OG1 3.05Å; Y320-T324 WeakPolarHBondContact CE2-OG1 3.37Å; Y320-T324 WeakPolarHBondContact O-CB 3.33Å; Y320-T324 PolarHBondContact O-N 3.43Å; Y320-T324 PolarHBondContact O-OG1 3.02Å; Y320-V678 HydrophobicContact CD2-CG1 3.62Å; Y320-V678 HydrophobicContact CE2-CG1 3.9Å; Y320-I682 HydrophobicContact CD1-CD1 3.66Å; Y320-I682 HydrophobicContact CD2-CD1 3.21Å; Y320-I682 HydrophobicContact CE1-CD1 4.08Å; Y320-I682 HydrophobicContact CE2-CD1 3.68Å; Y320-I682 HydrophobicContact CG-CD1 3.2Å; Y320-I682 HydrophobicContact CG-CG1 4.28Å
321F87.5Confident87.3Confident0 Ų049 Ų490%028%0.277CS..Hα-helixtrans-58.7-44.8175.8-84.6-67.9000111.5L261 C265 L296 F299 L300 V303 I317 T324 M325L261-F321 HydrophobicContact CD2-CE2 3.95Å; L261-F321 HydrophobicContact CD2-CZ 4.27Å; C265-F321 HydrophobicContact CB-CE1 4.21Å; C265-F321 HydrophobicContact CB-CZ 4.03Å; C265-F321 WeakPolarHBondContact SG-CE1 3.38Å; L296-F321 HydrophobicContact CD2-CD1 4.16Å; L296-F321 HydrophobicContact CD2-CE1 4.21Å; F299-F321 HydrophobicContact CB-CE1 3.68Å; F299-F321 HydrophobicContact CB-CZ 3.77Å; L300-F321 HydrophobicContact CB-CB 4.33Å; L300-F321 HydrophobicContact CB-CD1 4.44Å; L300-F321 HydrophobicContact CB-CG 4.24Å; L300-F321 HydrophobicContact CD1-CB 3.91Å; L300-F321 HydrophobicContact CD1-CD2 4.19Å; L300-F321 HydrophobicContact CD1-CG 4.23Å; L300-F321 HydrophobicContact CD2-CB 4.42Å; L300-F321 HydrophobicContact CG-CB 4.44Å; V303-F321 HydrophobicContact CG2-CE2 4.06Å; I317-F321 HydrophobicContact CD1-CD2 4.17Å; I317-F321 HydrophobicContact CD1-CE2 3.87Å; I317-F321 HydrophobicContact CG1-CD2 4.07Å; I317-F321 HydrophobicContact CG1-CE2 3.87Å; I317-F321 VanDerWaalsContact O-CD2 3.26Å; I317-F321 WeakPolarHBondContact O-CD2 3.07Å; I317-F321 PolarHBondContact O-N 3.25Å; F321-T324 PolarHBondContact O-N 3.23Å; F321-M325 WeakPolarHBondContact O-CB 3.24Å; F321-M325 VanDerWaalsContact O-CG 3.22Å; F321-M325 WeakPolarHBondContact O-CG 3.38Å; F321-M325 PolarHBondContact O-N 2.83Å
322S87Confident87.6Confident64 Ų6444.5 Ų44.545%0.44824%0.242SC..Hα-helixtrans-61-46.6178.9-58.10000112.4G318 I319 Y320 F326G318-S322 WeakPolarHBondContact O-CB 3.45Å; G318-S322 PolarHBondContact O-N 3.03Å; G318-S322 PolarHBondContact O-OG 3.12Å; I319-S322 PolarHBondContact O-N 3.28Å; Y320-S322 VanDerWaalsContact C-N 3.32Å; Y320-S322 PolarHBondContact O-N 2.94Å; S322-F326 WeakPolarHBondContact O-CB 3.03Å; S322-F326 PolarHBondContact O-N 2.88Å
323C87.6Confident88Confident53 Ų5340.5 Ų40.536%0.35823%0.229SC..Hα-helixtrans-61.9-43.8174.4-69.60000111.6I319 Y320 F326 M327I319-C323 PolarHBondContact O-N 2.94Å; I319-C323 PolarHBondContact O-SG 3.16Å; I319-C323 VanDerWaalsContact O-SG 3.38Å; Y320-C323 PolarHBondContact O-N 2.98Å; C323-F326 PolarHBondContact O-N 3.39Å; C323-M327 VanDerWaalsContact O-CG 3.32Å; C323-M327 WeakPolarHBondContact O-CG 3.38Å; C323-M327 PolarHBondContact O-N 3.38Å
324T87Confident88.5Confident2 Ų242.9 Ų42.91%0.01223%0.234CC..Hα-helixtrans-67.4-40.3-178.5-530000111.6L296 Y320 F321 M327 C328L296-T324 HydrophobicContact CD1-CG2 3.88Å; L296-T324 HydrophobicContact CD2-CG2 4.04Å; Y320-T324 WeakPolarHBondContact CD2-OG1 3.05Å; Y320-T324 WeakPolarHBondContact CE2-OG1 3.37Å; Y320-T324 WeakPolarHBondContact O-CB 3.33Å; Y320-T324 PolarHBondContact O-N 3.43Å; Y320-T324 PolarHBondContact O-OG1 3.02Å; F321-T324 PolarHBondContact O-N 3.23Å; T324-M327 PolarHBondContact O-N 3.02Å; T324-C328 WeakPolarHBondContact O-CB 3.44Å; T324-C328 PolarHBondContact O-N 3.38Å; T324-C328 PolarHBondContact O-SG 3.44Å
325M90Very high88.8Confident29 Ų2937.5 Ų37.514%0.14321%0.206CC..Hα-helixtrans-61-43.1172.1-73.7171.9178.100112.1L293 L296 L300 F321 C328 S329L293-M325 HydrophobicContact CD1-CB 4.46Å; L296-M325 HydrophobicContact CB-CE 4.03Å; L296-M325 HydrophobicContact CB-CG 4.09Å; L296-M325 HydrophobicContact CD1-CG 4.48Å; L296-M325 WeakPolarHBondContact O-CE 3.41Å; L300-M325 HydrophobicContact CB-CE 3.53Å; L300-M325 HydrophobicContact CD2-CE 3.53Å; L300-M325 HydrophobicContact CD2-SD 3.83Å; L300-M325 HydrophobicContact CG-CE 4.17Å; F321-M325 WeakPolarHBondContact O-CB 3.24Å; F321-M325 VanDerWaalsContact O-CG 3.22Å; F321-M325 WeakPolarHBondContact O-CG 3.38Å; F321-M325 PolarHBondContact O-N 2.83Å; M325-C328 PolarHBondContact O-N 2.89Å; M325-S329 VanDerWaalsContact O-CB 3.32Å; M325-S329 WeakPolarHBondContact O-CB 3.38Å; M325-S329 PolarHBondContact O-N 3.3Å; M325-S329 PolarHBondContact O-OG 3.17Å
326F91.1Very high89.1Confident132 Ų13240.1 Ų40.158%0.57922%0.222SC*.Hα-helixtrans-63.4-46.8177.1-178.7-104.6000111.3S322 C323 C328 S329 L330S322-F326 WeakPolarHBondContact O-CB 3.03Å; S322-F326 PolarHBondContact O-N 2.88Å; C323-F326 PolarHBondContact O-N 3.39Å; F326-C328 PolarHBondContact O-N 3.45Å; F326-S329 PolarHBondContact O-N 2.82Å; F326-L330 HydrophobicContact CD1-CD1 3.99Å; F326-L330 HydrophobicContact CE1-CD1 3.46Å; F326-L330 VanDerWaalsContact CE1-CD1 3.46Å; F326-L330 HydrophobicContact CE1-CG 4.3Å; F326-L330 HydrophobicContact CE2-CD1 4.48Å; F326-L330 HydrophobicContact CZ-CD1 3.75Å; F326-L330 HydrophobicContact CZ-CG 4.27Å; F326-L330 WeakPolarHBondContact O-CG 3.16Å; F326-L330 PolarHBondContact O-N 3.26Å
327M88.7Confident89.4Confident33 Ų3342 Ų4216%0.16323%0.232CC..Hα-helixtrans-64.3-39.5176.1-63.2-55.4-69.700112.2C323 T324 S331 F671 C674C323-M327 VanDerWaalsContact O-CG 3.32Å; C323-M327 WeakPolarHBondContact O-CG 3.38Å; C323-M327 PolarHBondContact O-N 3.38Å; T324-M327 PolarHBondContact O-N 3.02Å; M327-S331 VanDerWaalsContact O-CB 3.27Å; M327-S331 WeakPolarHBondContact O-CB 3.41Å; M327-S331 PolarHBondContact O-N 3.22Å; M327-F671 HydrophobicContact CB-CD1 4.35Å; M327-F671 HydrophobicContact CB-CE1 4.35Å; M327-F671 HydrophobicContact CE-CD1 3.52Å; M327-F671 HydrophobicContact CE-CE1 3.61Å; M327-F671 WeakPolarHBondContact O-CE1 3.41Å; M327-C674 HydrophobicContact CE-CB 3.39Å
328C89.9Confident89.7Confident6 Ų641.4 Ų41.44%0.04123%0.229CC..Hα-helixtrans-66.4-39.4174.8-67.80000112.1L293 L296 T324 M325 F326 S331 I332L293-C328 HydrophobicContact CD1-CB 4.34Å; L296-C328 HydrophobicContact CD1-CB 4.2Å; T324-C328 WeakPolarHBondContact O-CB 3.44Å; T324-C328 PolarHBondContact O-N 3.38Å; T324-C328 PolarHBondContact O-SG 3.44Å; M325-C328 PolarHBondContact O-N 2.89Å; F326-C328 PolarHBondContact O-N 3.45Å; C328-S331 WeakPolarHBondContact O-CB 3.38Å; C328-S331 PolarHBondContact O-N 3.21Å; C328-I332 WeakPolarHBondContact O-CG1 3.45Å; C328-I332 PolarHBondContact O-N 3.32Å
329S91.8Very high89.8Confident48 Ų4842.1 Ų42.134%0.33623%0.231SC..Hα-helixtrans-63.9-45.5176.1-58.40000111.5M325 F326 S331 I332 V333M325-S329 VanDerWaalsContact O-CB 3.32Å; M325-S329 WeakPolarHBondContact O-CB 3.38Å; M325-S329 PolarHBondContact O-N 3.3Å; M325-S329 PolarHBondContact O-OG 3.17Å; F326-S329 PolarHBondContact O-N 2.82Å; S329-S331 VanDerWaalsContact C-N 3.33Å; S329-S331 PolarHBondContact O-N 3.21Å; S329-I332 PolarHBondContact O-N 3.08Å; S329-V333 WeakPolarHBondContact O-CG2 3.44Å; S329-V333 PolarHBondContact O-N 3.37Å; S329-V333 VanDerWaalsContact O-N 3.13Å
330L91.7Very high90Very high60 Ų6043.2 Ų43.231%0.31424%0.237SC..Hα-helixtrans-61.9-41172.5-70.7179.3000111.7F326 I332 V333 F334 F671F326-L330 HydrophobicContact CD1-CD1 3.99Å; F326-L330 HydrophobicContact CE1-CD1 3.46Å; F326-L330 VanDerWaalsContact CE1-CD1 3.46Å; F326-L330 HydrophobicContact CE1-CG 4.3Å; F326-L330 HydrophobicContact CE2-CD1 4.48Å; F326-L330 HydrophobicContact CZ-CD1 3.75Å; F326-L330 HydrophobicContact CZ-CG 4.27Å; F326-L330 WeakPolarHBondContact O-CG 3.16Å; F326-L330 PolarHBondContact O-N 3.26Å; L330-I332 VanDerWaalsContact C-N 3.32Å; L330-I332 PolarHBondContact O-N 3.49Å; L330-V333 PolarHBondContact O-N 3.37Å; L330-V333 VanDerWaalsContact O-N 3.13Å; L330-F334 VanDerWaalsContact O-CD2 3.23Å; L330-F334 WeakPolarHBondContact O-CD2 3.32Å; L330-F334 PolarHBondContact O-N 2.89Å; L330-F671 HydrophobicContact CB-CE1 4.04Å; L330-F671 HydrophobicContact CB-CZ 3.86Å
331S91.2Very high89.9Confident6 Ų645.7 Ų45.74%0.04225%0.247CC..Hα-helixtrans-58.3-41.5176.5167.70000112.5F276 M327 C328 S329 F334 T335F276-S331 WeakPolarHBondContact CE2-OG 3.35Å; F276-S331 WeakPolarHBondContact CZ-OG 3.47Å; M327-S331 VanDerWaalsContact O-CB 3.27Å; M327-S331 WeakPolarHBondContact O-CB 3.41Å; M327-S331 PolarHBondContact O-N 3.22Å; C328-S331 WeakPolarHBondContact O-CB 3.38Å; C328-S331 PolarHBondContact O-N 3.21Å; S329-S331 VanDerWaalsContact C-N 3.33Å; S329-S331 PolarHBondContact O-N 3.21Å; S331-F334 PolarHBondContact O-N 3.22Å; S331-T335 VanDerWaalsContact O-CB 3.26Å; S331-T335 WeakPolarHBondContact O-CB 3.32Å; S331-T335 PolarHBondContact O-N 3.27Å; S331-T335 PolarHBondContact O-OG1 2.84Å
332I92.3Very high89.8Confident29 Ų2946 Ų4615%0.14925%0.248CC..Hα-helixtrans-64.3-42.8174-65.8160.1000110.8L293 C328 S329 L330 T335 V336L293-I332 HydrophobicContact CB-CD1 4.1Å; L293-I332 HydrophobicContact CD2-CD1 3.9Å; C328-I332 WeakPolarHBondContact O-CG1 3.45Å; C328-I332 PolarHBondContact O-N 3.32Å; S329-I332 PolarHBondContact O-N 3.08Å; L330-I332 VanDerWaalsContact C-N 3.32Å; L330-I332 PolarHBondContact O-N 3.49Å; I332-T335 WeakPolarHBondContact O-CB 3.35Å; I332-T335 PolarHBondContact O-N 3.07Å; I332-V336 WeakPolarHBondContact O-CG2 3.42Å; I332-V336 PolarHBondContact O-N 3.1Å
333V93.2Very high89.7Confident83 Ų8348.8 Ų48.850%0.50325%0.254SS..Hα-helixtrans-62.1-46.9176.6173.60000111.5S329 L330 T335 V336 L337S329-V333 WeakPolarHBondContact O-CG2 3.44Å; S329-V333 PolarHBondContact O-N 3.37Å; S329-V333 VanDerWaalsContact O-N 3.13Å; L330-V333 PolarHBondContact O-N 3.37Å; L330-V333 VanDerWaalsContact O-N 3.13Å; V333-T335 VanDerWaalsContact C-N 3.33Å; V333-T335 PolarHBondContact O-N 2.81Å; V333-V336 PolarHBondContact O-N 3.27Å; V333-L337 HydrophobicContact CG1-CD1 4.46Å; V333-L337 WeakPolarHBondContact O-CG 3.45Å; V333-L337 PolarHBondContact O-N 3.01Å
334F91.3Very high89.1Confident80 Ų8050.6 Ų50.635%0.35125%0.253SS..Hα-helixtrans-64-36.8174.8-77.7-70.3000112.3L330 S331 V336 L337 V338 F671L330-F334 VanDerWaalsContact O-CD2 3.23Å; L330-F334 WeakPolarHBondContact O-CD2 3.32Å; L330-F334 PolarHBondContact O-N 2.89Å; S331-F334 PolarHBondContact O-N 3.22Å; F334-V336 PolarHBondContact O-N 3.12Å; F334-L337 HydrophobicContact CD1-CD1 4.35Å; F334-L337 PolarHBondContact O-N 3.41Å; F334-V338 WeakPolarHBondContact O-CB 3.47Å; F334-V338 WeakPolarHBondContact O-CG2 3.45Å; F334-V338 PolarHBondContact O-N 2.74Å; F334-F671 AromaticContact CD2-CE2 3.71Å; F334-F671 HydrophobicContact CD2-CE2 3.71Å; F334-F671 AromaticContact CD2-CZ 3.71Å; F334-F671 HydrophobicContact CD2-CZ 3.71Å; F334-F671 HydrophobicContact CE2-CE2 4.3Å; F334-F671 HydrophobicContact CE2-CZ 4.13Å; F334-F671 HydrophobicContact CG-CE2 4.4Å
335T91.4Very high88Confident2 Ų254.2 Ų54.21%0.01228%0.279CS..Hα-helixtrans-60-43.2173.5-69.10000111.7K285 I286 S331 I332 V333 V338 L339K285-T335 HydrophobicContact CB-CG2 4.26Å; K285-T335 HydrophobicContact CD-CG2 3.83Å; K285-T335 HydrophobicContact CG-CG2 3.74Å; I286-T335 HydrophobicContact CG1-CG2 4.11Å; S331-T335 VanDerWaalsContact O-CB 3.26Å; S331-T335 WeakPolarHBondContact O-CB 3.32Å; S331-T335 PolarHBondContact O-N 3.27Å; S331-T335 PolarHBondContact O-OG1 2.84Å; I332-T335 WeakPolarHBondContact O-CB 3.35Å; I332-T335 PolarHBondContact O-N 3.07Å; V333-T335 VanDerWaalsContact C-N 3.33Å; V333-T335 PolarHBondContact O-N 2.81Å; T335-V338 PolarHBondContact O-N 3.47Å; T335-L339 HydrophobicContact CG2-CD1 3.91Å; T335-L339 WeakPolarHBondContact O-CB 3.29Å; T335-L339 VanDerWaalsContact O-CG 3.32Å; T335-L339 WeakPolarHBondContact O-CG 3.47Å; T335-L339 PolarHBondContact O-N 3.04Å
336V92.5Very high86.4Confident72 Ų7253.1 Ų53.144%0.43627%0.274SS..Hα-helixtrans-65.7-38.2175.6171.50000111.6I286 I332 V333 F334 L339 N340I286-V336 HydrophobicContact CD1-CG2 4.12Å; I286-V336 HydrophobicContact CG1-CG2 4.49Å; I332-V336 WeakPolarHBondContact O-CG2 3.42Å; I332-V336 PolarHBondContact O-N 3.1Å; V333-V336 PolarHBondContact O-N 3.27Å; F334-V336 PolarHBondContact O-N 3.12Å; V336-L339 PolarHBondContact O-N 2.85Å; V336-N340 WeakPolarHBondContact O-CB 3.38Å; V336-N340 PolarHBondContact O-N 3.07Å
337L90.7Very high84.7Confident78 Ų7852.1 Ų52.141%0.40828%0.275SS..Hα-helixtrans-66.4-44.1174.2-67.6172.8000112.3V333 F334 L339 N340 Y341V333-L337 HydrophobicContact CG1-CD1 4.46Å; V333-L337 WeakPolarHBondContact O-CG 3.45Å; V333-L337 PolarHBondContact O-N 3.01Å; F334-L337 HydrophobicContact CD1-CD1 4.35Å; F334-L337 PolarHBondContact O-N 3.41Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.27Å; L337-N340 WeakPolarHBondContact O-CB 3.29Å; L337-N340 PolarHBondContact O-N 3.4Å; L337-Y341 WeakPolarHBondContact O-CD2 3.47Å; L337-Y341 PolarHBondContact O-N 2.88Å
338V90.3Very high83.3Confident1 Ų154.4 Ų54.41%0.00629%0.293CS..Hα-helixtrans-58.7-45.1174.2164.80000110.8F334 T335 Y341 H342 A660 I663 D664F334-V338 WeakPolarHBondContact O-CB 3.47Å; F334-V338 WeakPolarHBondContact O-CG2 3.45Å; F334-V338 PolarHBondContact O-N 2.74Å; T335-V338 PolarHBondContact O-N 3.47Å; V338-Y341 PolarHBondContact O-N 3.33Å; V338-H342 VanDerWaalsContact O-CB 3.28Å; V338-H342 WeakPolarHBondContact O-CB 3.39Å; V338-H342 PolarHBondContact O-N 2.83Å; V338-A660 HydrophobicContact CG1-CB 4.45Å; V338-I663 HydrophobicContact CG2-CB 4.29Å; V338-I663 HydrophobicContact CG2-CG2 3.72Å; V338-D664 HydrophobicContact CG1-CB 3.9Å; V338-D664 HydrophobicContact CG2-CB 4.23Å
339L89.9Confident82.4Confident24 Ų2457 Ų5713%0.12631%0.309CS..Hα-helixtrans-66.8-37.7177-73165.4000112.4P280 I286 T335 V336 L337 Y341 H342 H343P280-L339 HydrophobicContact CB-CD2 3.55Å; I286-L339 HydrophobicContact CD1-CD1 3.61Å; I286-L339 HydrophobicContact CG1-CD1 3.62Å; T335-L339 HydrophobicContact CG2-CD1 3.91Å; T335-L339 WeakPolarHBondContact O-CB 3.29Å; T335-L339 VanDerWaalsContact O-CG 3.32Å; T335-L339 WeakPolarHBondContact O-CG 3.47Å; T335-L339 PolarHBondContact O-N 3.04Å; V336-L339 PolarHBondContact O-N 2.85Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.27Å; L339-Y341 PolarHBondContact O-N 3.08Å; L339-H342 PolarHBondContact O-N 2.84Å; L339-H343 PolarHBondContact O-CD2 3.42Å; L339-H343 VanDerWaalsContact O-CD2 3.31Å; L339-H343 PolarHBondContact O-N 2.98Å
340N88.4Confident81.6Confident98 Ų9858.3 Ų58.352%0.52432%0.318SS..Hα-helixtrans-59.9-45173.4-172-84.4000111.6V336 L337 R344V336-N340 WeakPolarHBondContact O-CB 3.38Å; V336-N340 PolarHBondContact O-N 3.07Å; L337-N340 WeakPolarHBondContact O-CB 3.29Å; L337-N340 PolarHBondContact O-N 3.4Å; N340-R344 PolarHBondContact O-N 2.96Å
341Y84.4Confident80.9Confident60 Ų6055.7 Ų55.724%0.23530%0.304CS..Hα-helixtrans-69.4-36.2174.8-67.1-52.3000113L337 V338 L339 R344 W656 I663L337-Y341 WeakPolarHBondContact O-CD2 3.47Å; L337-Y341 PolarHBondContact O-N 2.88Å; V338-Y341 PolarHBondContact O-N 3.33Å; L339-Y341 PolarHBondContact O-N 3.08Å; Y341-R344 WeakPolarHBondContact O-CB 3.36Å; Y341-R344 PolarHBondContact O-N 3.14Å; Y341-W656 AromaticContact CD1-CE3 3.97Å; Y341-W656 HydrophobicContact CD1-CE3 3.97Å; Y341-W656 HydrophobicContact CD1-CH2 4.31Å; Y341-W656 AromaticContact CD1-CZ3 3.42Å; Y341-W656 HydrophobicContact CD1-CZ3 3.42Å; Y341-W656 VanDerWaalsContact CD1-CZ3 3.42Å; Y341-W656 HydrophobicContact CE1-CH2 4.45Å; Y341-W656 AromaticContact CE1-CZ3 3.87Å; Y341-W656 HydrophobicContact CE1-CZ3 3.87Å; Y341-W656 HydrophobicContact CG-CZ3 4.32Å; Y341-I663 HydrophobicContact CD2-CD1 4.15Å; Y341-I663 HydrophobicContact CE2-CD1 4.35Å
342H86.5Confident80.5Confident7 Ų757.3 Ų57.33%0.03232%0.315CS..Hα-helixtrans-66.9-39.6-179.5-174.4-103.9000113.1P280 D281 V338 L339 R344 A660P280-H342 HydrophobicContact CB-CB 4.33Å; P280-H342 HydrophobicContact CG-CB 4.43Å; D281-H342 IonicContact OD1-CE1 3.53Å; D281-H342 PolarHBondContact OD1-CE1 3.44Å; D281-H342 VanDerWaalsContact OD1-CE1 3.31Å; D281-H342 IonicContact OD1-NE2 3.96Å; V338-H342 VanDerWaalsContact O-CB 3.28Å; V338-H342 WeakPolarHBondContact O-CB 3.39Å; V338-H342 PolarHBondContact O-N 2.83Å; L339-H342 PolarHBondContact O-N 2.84Å; H342-R344 VanDerWaalsContact C-N 3.35Å; H342-A660 HydrophobicContact CB-CB 3.96Å
343H83.4Confident80Confident122 Ų12258.6 Ų58.657%0.56533%0.33SS*.THydrogen-bonded Turntrans-94.312.7179.2-66-76.2000113.4L339 S345L339-H343 PolarHBondContact O-CD2 3.42Å; L339-H343 VanDerWaalsContact O-CD2 3.31Å; L339-H343 PolarHBondContact O-N 2.98Å; H343-S345 PolarHBondContact O-N 3.22Å
344R76.5Confident79.6Confident90 Ų9062 Ų6234%0.3433%0.334SS..  trans-76.3101.6173.9-167.1167.5-171.5135.83.3109.8N340 Y341 H342 W656N340-R344 PolarHBondContact O-N 2.96Å; Y341-R344 WeakPolarHBondContact O-CB 3.36Å; Y341-R344 PolarHBondContact O-N 3.14Å; H342-R344 VanDerWaalsContact C-N 3.35Å; R344-W656 HydrophobicContact CB-CD2 4.43Å; R344-W656 HydrophobicContact CB-CG 4.48Å; R344-W656 HydrophobicContact CG-CD2 4.45Å
345S62.4Low79.2Confident79 Ų7958.4 Ų58.455%0.55232%0.318SS*.  trans-55.7143.3170.7-540000110.8H343 D347H343-S345 PolarHBondContact O-N 3.22Å; S345-D347 WeakPolarHBondContact CB-OD1 3.09Å; S345-D347 PolarHBondContact O-N 2.89Å
346A56.4Low78.7Confident5 Ų563 Ų634%0.04134%0.336CS..G310 helixtrans-61-37.5-179.400000112.4C348 V349 D649 M652A346-C348 PolarHBondContact O-N 2.67Å; A346-V349 PolarHBondContact O-N 2.77Å; A346-D649 HydrophobicContact CB-CB 4.27Å; A346-D649 WeakPolarHBondContact CB-O 3.46Å; A346-M652 HydrophobicContact CB-CB 3.5Å; A346-M652 VanDerWaalsContact CB-CB 3.5Å
347D56Low78.2Confident111 Ų11163.8 Ų63.859%0.59434%0.337SS*.G310 helixtrans-50.3-27.2-159.6-42.125.5000114.5S345 C461S345-D347 WeakPolarHBondContact CB-OD1 3.09Å; S345-D347 PolarHBondContact O-N 2.89Å; D347-C461 PolarHBondContact O-SG 2.82Å; D347-C461 VanDerWaalsContact O-SG 3.36Å
348C59.8Low78Confident82 Ų8264.7 Ų64.755%0.55434%0.341SS*.G310 helixtrans-112.1-21.3-178.7-56.60000115.6A346 C461A346-C348 PolarHBondContact O-N 2.67Å; C348-C461 WeakPolarHBondContact CA-SG 3.47Å; C348-C461 HydrophobicContact CB-CB 3.82Å; C348-C461 WeakPolarHBondContact CB-SG 3.17Å; C348-C461 WeakPolarHBondContact SG-CB 3.48Å; C348-C461 CovalentContact SG-SG 2.04Å; C348-C461 PolarHBondContact SG-SG 3.01Å
349V71.2Confident77.7Confident60 Ų6065.1 Ų65.136%0.36434%0.344SS..  trans-152.1114-177.6-176.40000112.1A346 W656A346-V349 PolarHBondContact O-N 2.77Å; V349-W656 HydrophobicContact CG1-CZ2 4.46Å; V349-W656 PolarHBondContact O-NE1 2.91Å
350S74.3Confident77.1Confident76 Ų7664.9 Ų64.953%0.53134%0.343SS..PPolyproline II helixtrans-67.6151.7170.461.60000112.4P352 M652S350-P352 VanDerWaalsContact O-CD 3.25Å; S350-P352 WeakPolarHBondContact O-CD 3.07Å; S350-P352 VanDerWaalsContact O-N 3.16Å; S350-M652 WeakPolarHBondContact CB-SD 3.29Å
351V77.8Confident76.7Confident4 Ų464.1 Ų64.12%0.02434%0.342CS..PPolyproline II helixtrans-60.5118.6-175.5-178.90000110.6A353 I355 R356 E655 W656V351-A353 PolarHBondContact O-N 2.86Å; V351-I355 HydrophobicContact CG1-CB 3.81Å; V351-I355 HydrophobicContact CG1-CG2 3.68Å; V351-R356 HydrophobicContact CG1-CB 4.25Å; V351-R356 PolarHBondContact O-NH1 2.82Å; V351-R356 VanDerWaalsContact O-NH1 3.11Å; V351-E655 HydrophobicContact CG2-CB 3.73Å; V351-W656 HydrophobicContact CG2-CD2 3.84Å; V351-W656 HydrophobicContact CG2-CE3 4.49Å; V351-W656 HydrophobicContact CG2-CG 3.9Å; V351-W656 HydrophobicContact CG2-CZ2 4.33Å
352P81.7Confident76.6Confident41 Ų4169.9 Ų69.927%0.26636%0.364SS..PPolyproline II helixtrans-54.7139.9178.7-27.635000111.9S350 W354 I355 R356S350-P352 VanDerWaalsContact O-CD 3.25Å; S350-P352 WeakPolarHBondContact O-CD 3.07Å; S350-P352 VanDerWaalsContact O-N 3.16Å; P352-W354 HydrophobicContact CB-CG 4.39Å; P352-W354 PolarHBondContact O-N 2.88Å; P352-I355 HydrophobicContact CB-CG1 4.4Å; P352-I355 HydrophobicContact CG-CD1 4.26Å; P352-I355 WeakPolarHBondContact O-CA 3.48Å; P352-I355 PolarHBondContact O-N 3.12Å; P352-R356 PolarHBondContact O-N 3.19Å
353A81.3Confident76.6Confident56 Ų5670.6 Ų70.646%0.46337%0.368SS..Hα-helixtrans-56.3-29.5-176.200000113.5V351 N357V351-A353 PolarHBondContact O-N 2.86Å; A353-N357 WeakPolarHBondContact O-CB 3.19Å; A353-N357 PolarHBondContact O-N 3.05Å; A353-N357 PolarHBondContact O-OD1 2.83Å
354W85.5Confident76.6Confident153 Ų15364.9 Ų64.958%0.5834%0.342SS*.Hα-helixtrans-70-37.9173.972.6-98000112.9P352 I358P352-W354 HydrophobicContact CB-CG 4.39Å; P352-W354 PolarHBondContact O-N 2.88Å; W354-I358 HydrophobicContact CE3-CD1 4.4Å; W354-I358 WeakPolarHBondContact O-CB 3.45Å; W354-I358 VanDerWaalsContact O-CG1 3.28Å; W354-I358 WeakPolarHBondContact O-CG1 3.5Å; W354-I358 PolarHBondContact O-N 3.22Å
355I83.7Confident76.9Confident6 Ų669.1 Ų69.13%0.03136%0.363CS..Hα-helixtrans-67.1-47.7173.3-64.3-173.3000109.4V351 P352 N357 V359 N360 W656 A659V351-I355 HydrophobicContact CG1-CB 3.81Å; V351-I355 HydrophobicContact CG1-CG2 3.68Å; P352-I355 HydrophobicContact CB-CG1 4.4Å; P352-I355 HydrophobicContact CG-CD1 4.26Å; P352-I355 WeakPolarHBondContact O-CA 3.48Å; P352-I355 PolarHBondContact O-N 3.12Å; I355-N357 VanDerWaalsContact C-N 3.32Å; I355-N357 PolarHBondContact O-N 2.81Å; I355-V359 HydrophobicContact CG2-CB 4.11Å; I355-V359 HydrophobicContact CG2-CG2 4.04Å; I355-V359 WeakPolarHBondContact O-CA 3.32Å; I355-V359 VanDerWaalsContact O-CB 3.26Å; I355-V359 WeakPolarHBondContact O-CB 3.45Å; I355-V359 PolarHBondContact O-N 2.94Å; I355-N360 PolarHBondContact O-N 3.31Å; I355-W656 HydrophobicContact CD1-CH2 3.9Å; I355-W656 HydrophobicContact CD1-CZ3 3.83Å; I355-A659 HydrophobicContact CG2-CB 4.06Å
356R80.7Confident78.1Confident99 Ų9971.2 Ų71.237%0.37437%0.368SS..Iπ-helixtrans-58.3-44.3179.3-175.3168.656.8-105.5-2.8111.7V351 P352 N360 T361V351-R356 HydrophobicContact CG1-CB 4.25Å; V351-R356 PolarHBondContact O-NH1 2.82Å; V351-R356 VanDerWaalsContact O-NH1 3.11Å; P352-R356 PolarHBondContact O-N 3.19Å; R356-N360 CarbonylContact O-C 3.59Å; R356-N360 WeakPolarHBondContact O-CA 3.36Å; R356-N360 VanDerWaalsContact O-CB 3.3Å; R356-N360 WeakPolarHBondContact O-CB 3.44Å; R356-N360 PolarHBondContact O-N 2.87Å; R356-T361 PolarHBondContact O-N 3.35Å; R356-T361 PolarHBondContact O-OG1 3.22Å
357N81.6Confident79.3Confident88 Ų8872 Ų7247%0.47137%0.371SS..Iπ-helixtrans-73.8-51179.2-673.5000112.3A353 I355 T361 Y362A353-N357 WeakPolarHBondContact O-CB 3.19Å; A353-N357 PolarHBondContact O-N 3.05Å; A353-N357 PolarHBondContact O-OD1 2.83Å; I355-N357 VanDerWaalsContact C-N 3.32Å; I355-N357 PolarHBondContact O-N 2.81Å; N357-T361 VanDerWaalsContact O-CB 3.26Å; N357-T361 WeakPolarHBondContact O-CB 3.49Å; N357-T361 PolarHBondContact O-N 3.05Å; N357-Y362 VanDerWaalsContact O-CD2 3.32Å; N357-Y362 WeakPolarHBondContact O-CD2 3.44Å; N357-Y362 PolarHBondContact O-N 3.43Å; N357-Y362 VanDerWaalsContact O-N 3.11Å
358I86.3Confident80.6Confident96 Ų9672.3 Ų72.349%0.49238%0.38SS..Iπ-helixtrans-74.2-49.9-173.4-61.6173.8000111W354 Y362 L363W354-I358 HydrophobicContact CE3-CD1 4.4Å; W354-I358 WeakPolarHBondContact O-CB 3.45Å; W354-I358 VanDerWaalsContact O-CG1 3.28Å; W354-I358 WeakPolarHBondContact O-CG1 3.5Å; W354-I358 PolarHBondContact O-N 3.22Å; I358-Y362 WeakPolarHBondContact O-CB 3.4Å; I358-Y362 PolarHBondContact O-N 2.9Å; I358-L363 WeakPolarHBondContact O-CB 3.3Å; I358-L363 PolarHBondContact O-N 2.82Å
359V84.7Confident81.6Confident11 Ų1169.5 Ų69.57%0.06736%0.359CS..Iπ-helixtrans-80.9-57.5-178.1-175.40000110.8I355 T361 L363 A364 A659 V662 I663I355-V359 HydrophobicContact CG2-CB 4.11Å; I355-V359 HydrophobicContact CG2-CG2 4.04Å; I355-V359 WeakPolarHBondContact O-CA 3.32Å; I355-V359 VanDerWaalsContact O-CB 3.26Å; I355-V359 WeakPolarHBondContact O-CB 3.45Å; I355-V359 PolarHBondContact O-N 2.94Å; V359-T361 PolarHBondContact O-N 2.77Å; V359-L363 HydrophobicContact CG1-CD2 4.35Å; V359-L363 WeakPolarHBondContact O-CB 3.33Å; V359-L363 PolarHBondContact O-N 2.93Å; V359-A364 PolarHBondContact O-N 2.8Å; V359-A659 HydrophobicContact CG1-CB 4.08Å; V359-V662 HydrophobicContact CG1-CB 3.92Å; V359-V662 HydrophobicContact CG1-CG1 3.89Å; V359-I663 HydrophobicContact CG1-CD1 4.28Å; V359-I663 HydrophobicContact CG1-CG1 3.9Å; V359-I663 HydrophobicContact CG2-CD1 4.27Å; V359-I663 HydrophobicContact CG2-CG1 4.24Å
360N77.6Confident81.9Confident19 Ų1973.7 Ų73.710%0.10238%0.375CS..Iπ-helixtrans-79.2-15-169.1-60.2-1.7000113.9I355 R356 A364 F658 A659I355-N360 PolarHBondContact O-N 3.31Å; R356-N360 CarbonylContact O-C 3.59Å; R356-N360 WeakPolarHBondContact O-CA 3.36Å; R356-N360 VanDerWaalsContact O-CB 3.3Å; R356-N360 WeakPolarHBondContact O-CB 3.44Å; R356-N360 PolarHBondContact O-N 2.87Å; N360-A364 VanDerWaalsContact O-CB 3.32Å; N360-A364 WeakPolarHBondContact O-CB 3.29Å; N360-F658 HydrophobicContact CB-CD1 4.2Å; N360-F658 HydrophobicContact CB-CE1 4.18Å; N360-A659 WeakPolarHBondContact OD1-CA 3.47Å; N360-A659 VanDerWaalsContact OD1-CB 3.29Å; N360-A659 WeakPolarHBondContact OD1-CB 3.38Å
361T79.7Confident81.7Confident81 Ų8173.8 Ų73.850%0.49737%0.373SS..Iπ-helixtrans-107.8-64172.2-44.90000112.6R356 N357 V359 K365R356-T361 PolarHBondContact O-N 3.35Å; R356-T361 PolarHBondContact O-OG1 3.22Å; N357-T361 VanDerWaalsContact O-CB 3.26Å; N357-T361 WeakPolarHBondContact O-CB 3.49Å; N357-T361 PolarHBondContact O-N 3.05Å; V359-T361 PolarHBondContact O-N 2.77Å; T361-K365 WeakPolarHBondContact O-CB 3.24Å; T361-K365 PolarHBondContact O-N 3.32Å
362Y82.5Confident81.2Confident181 Ų18176.6 Ų76.671%0.7139%0.392SS*.Iπ-helixtrans-70.1-51.9-174.4-74-78.5000112.7N357 I358 K365 L366N357-Y362 VanDerWaalsContact O-CD2 3.32Å; N357-Y362 WeakPolarHBondContact O-CD2 3.44Å; N357-Y362 PolarHBondContact O-N 3.43Å; N357-Y362 VanDerWaalsContact O-N 3.11Å; I358-Y362 WeakPolarHBondContact O-CB 3.4Å; I358-Y362 PolarHBondContact O-N 2.9Å; Y362-K365 PolarHBondContact O-N 3.1Å; Y362-L366 PolarHBondContact O-N 2.94Å
363L85.3Confident80.2Confident23 Ų2383.1 Ų83.112%0.1242%0.416CS..Iπ-helixtrans-68.9-44.6-177-148.564.7000111I358 V359 K365 L366 M367 V662 F666I358-L363 WeakPolarHBondContact O-CB 3.3Å; I358-L363 PolarHBondContact O-N 2.82Å; V359-L363 HydrophobicContact CG1-CD2 4.35Å; V359-L363 WeakPolarHBondContact O-CB 3.33Å; V359-L363 PolarHBondContact O-N 2.93Å; L363-K365 VanDerWaalsContact C-N 3.3Å; L363-K365 PolarHBondContact O-N 3.28Å; L363-L366 HydrophobicContact CD1-CD2 4.45Å; L363-L366 WeakPolarHBondContact O-CB 3.43Å; L363-L366 PolarHBondContact O-N 3.01Å; L363-L366 VanDerWaalsContact O-N 3.15Å; L363-M367 WeakPolarHBondContact O-CB 3.33Å; L363-M367 WeakPolarHBondContact O-CG 3.39Å; L363-M367 PolarHBondContact O-N 3.31Å; L363-V662 HydrophobicContact CB-CG1 3.82Å; L363-V662 HydrophobicContact CD2-CG1 4.1Å; L363-V662 HydrophobicContact CG-CG1 3.99Å; L363-F666 HydrophobicContact CD1-CB 4.4Å; L363-F666 HydrophobicContact CD1-CD1 4.12Å; L363-F666 HydrophobicContact CD1-CD2 3.52Å; L363-F666 HydrophobicContact CD1-CE1 4.21Å; L363-F666 HydrophobicContact CD1-CE2 3.63Å; L363-F666 HydrophobicContact CD1-CG 3.76Å; L363-F666 HydrophobicContact CD1-CZ 3.96Å; L363-F666 HydrophobicContact CD2-CB 3.84Å; L363-F666 HydrophobicContact CD2-CD1 3.85Å; L363-F666 HydrophobicContact CD2-CD2 4.41Å; L363-F666 HydrophobicContact CD2-CE1 4.48Å; L363-F666 HydrophobicContact CD2-CG 3.79Å; L363-F666 HydrophobicContact CG-CB 4.1Å; L363-F666 HydrophobicContact CG-CD1 4.45Å; L363-F666 HydrophobicContact CG-CD2 4.14Å; L363-F666 HydrophobicContact CG-CG 3.99Å
364A84.4Confident79.1Confident2 Ų287.3 Ų87.32%0.01742%0.42CS..Hα-helixtrans-56.6-42.6175.600000112.5V359 N360 M367 C368 M369 F658 V662V359-A364 PolarHBondContact O-N 2.8Å; N360-A364 VanDerWaalsContact O-CB 3.32Å; N360-A364 WeakPolarHBondContact O-CB 3.29Å; A364-M367 CarbonylContact O-C 3.59Å; A364-M367 PolarHBondContact O-N 3.24Å; A364-C368 PolarHBondContact O-N 2.86Å; A364-C368 VanDerWaalsContact O-N 3.12Å; A364-M369 PolarHBondContact O-N 3.37Å; A364-F658 HydrophobicContact CB-CE1 3.86Å; A364-F658 HydrophobicContact CB-CZ 3.82Å; A364-V662 HydrophobicContact CB-CG1 4.3Å; A364-V662 HydrophobicContact CB-CG2 4.06Å
365K82.9Confident77.6Confident178 Ų17882.4 Ų82.477%0.77441%0.409SS*.Hα-helixtrans-67.1-39.6176.2-173.4172.7-177.9174.90112.7T361 Y362 L363 M367 C368T361-K365 WeakPolarHBondContact O-CB 3.24Å; T361-K365 PolarHBondContact O-N 3.32Å; Y362-K365 PolarHBondContact O-N 3.1Å; L363-K365 VanDerWaalsContact C-N 3.3Å; L363-K365 PolarHBondContact O-N 3.28Å; K365-M367 VanDerWaalsContact C-N 3.31Å; K365-C368 PolarHBondContact O-N 3.46Å
366L86.4Confident75.6Confident124 Ų12489.1 Ų89.165%0.64944%0.44SS*.Hα-helixtrans-64.1-36.2173.6-179.964.5000112.1Y362 L363 C368Y362-L366 PolarHBondContact O-N 2.94Å; L363-L366 HydrophobicContact CD1-CD2 4.45Å; L363-L366 WeakPolarHBondContact O-CB 3.43Å; L363-L366 PolarHBondContact O-N 3.01Å; L363-L366 VanDerWaalsContact O-N 3.15Å; L366-C368 VanDerWaalsContact C-N 3.33Å
367M82.8Confident74.1Confident21 Ų2188.4 Ų88.410%0.10344%0.443CS..THydrogen-bonded Turntrans-88.86.2-177.9-61.5-55.3-56.800113.8L363 A364 K365 M369 R665 F666 I669L363-M367 WeakPolarHBondContact O-CB 3.33Å; L363-M367 WeakPolarHBondContact O-CG 3.39Å; L363-M367 PolarHBondContact O-N 3.31Å; A364-M367 CarbonylContact O-C 3.59Å; A364-M367 PolarHBondContact O-N 3.24Å; K365-M367 VanDerWaalsContact C-N 3.31Å; M367-M369 VanDerWaalsContact C-N 3.31Å; M367-M369 HydrophobicContact CB-CG 4.14Å; M367-M369 HydrophobicContact CB-SD 4.33Å; M367-M369 WeakPolarHBondContact O-CG 3.48Å; M367-M369 PolarHBondContact O-N 2.92Å; M367-R665 VanDerWaalsContact CE-C 3.42Å; M367-R665 HydrophobicContact CE-CB 3.59Å; M367-R665 WeakPolarHBondContact CE-O 3.47Å; M367-F666 HydrophobicContact CG-CB 4.47Å; M367-F666 HydrophobicContact SD-CB 4.27Å; M367-F666 HydrophobicContact SD-CD2 4.24Å; M367-I669 HydrophobicContact CE-CD1 3.42Å; M367-I669 VanDerWaalsContact CE-CD1 3.42Å; M367-I669 HydrophobicContact CE-CG1 3.88Å; M367-I669 HydrophobicContact SD-CD1 3.84Å
368C83Confident72.7Confident118 Ų11885.4 Ų85.480%0.79743%0.426SS*.THydrogen-bonded Turntrans49.845.4-175.7-62.10000113.7A364 K365 L366A364-C368 PolarHBondContact O-N 2.86Å; A364-C368 VanDerWaalsContact O-N 3.12Å; K365-C368 PolarHBondContact O-N 3.46Å; L366-C368 VanDerWaalsContact C-N 3.33Å
369M81.2Confident71Confident22 Ų2287 Ų8711%0.10843%0.432CS..  trans-110.3118.3177.8-61.7-17469.700110.6A364 M367 F658 R661 V662 R665A364-M369 PolarHBondContact O-N 3.37Å; M367-M369 VanDerWaalsContact C-N 3.31Å; M367-M369 HydrophobicContact CB-CG 4.14Å; M367-M369 HydrophobicContact CB-SD 4.33Å; M367-M369 WeakPolarHBondContact O-CG 3.48Å; M367-M369 PolarHBondContact O-N 2.92Å; M369-F658 HydrophobicContact CB-CE2 4.1Å; M369-F658 HydrophobicContact CB-CZ 4.09Å; M369-F658 HydrophobicContact CE-CE2 4.37Å; M369-R661 HydrophobicContact CE-CB 4.32Å; M369-R661 HydrophobicContact CE-CG 3.93Å; M369-V662 HydrophobicContact CB-CG2 4.38Å; M369-V662 HydrophobicContact CE-CG2 4.15Å; M369-V662 HydrophobicContact SD-CB 4.31Å; M369-V662 HydrophobicContact SD-CG2 3.74Å; M369-R665 HydrophobicContact SD-CB 4.47Å; M369-R665 HydrophobicContact SD-CG 4.31Å
370E76.4Confident69.4Low148 Ų14891 Ų9169%0.69246%0.456SS*.PPolyproline II helixtrans-68.5135.8170-68.9-176-162.500110.5F658E370-F658 WeakPolarHBondContact O-CE2 3.36Å; E370-F658 WeakPolarHBondContact O-CZ 3.36Å
371P70.8Confident68.2Low78 Ų7893.4 Ų93.451%0.50647%0.467SS..PPolyproline II helixtrans-64.9155.7171.629.8-35.2000110.8K373 F658P371-K373 PolarHBondContact O-N 2.74Å; P371-K373 VanDerWaalsContact O-N 3.15Å; P371-F658 HydrophobicContact CB-CE1 4.22Å; P371-F658 HydrophobicContact CB-CZ 4.29Å
372P67.6Low67.2Low64 Ų6493.6 Ų93.642%0.41647%0.465SS..PPolyproline II helixtrans-58.5122.4173.725.5-33.5000109.8R374 F658P372-R374 PolarHBondContact O-N 3.13Å; P372-F658 HydrophobicContact CG-CB 4.47Å
373K60.1Low66.1Low177 Ų17789.8 Ų89.877%0.7746%0.456SS*.PPolyproline II helixtrans-63.1119.6173.9-65.7-178.3-177.8178.10108.3P371 S375P371-K373 PolarHBondContact O-N 2.74Å; P371-K373 VanDerWaalsContact O-N 3.15Å; K373-S375 PolarHBondContact O-N 3.33Å
374R58.1Low64.7Low145 Ų14591.5 Ų91.555%0.54747%0.469SS..PPolyproline II helixtrans-56.8134.2170.9-158.9178.7-163.9-161.42.1107.7P372 Q376 I378 L651P372-R374 PolarHBondContact O-N 3.13Å; R374-Q376 PolarHBondContact O-N 2.89Å; R374-I378 HydrophobicContact CG-CD1 4.16Å; R374-L651 HydrophobicContact CG-CD1 4.16Å; R374-L651 HydrophobicContact CG-CD2 4.28Å
375S53.2Low63.5Low49 Ų4993.7 Ų93.734%0.34349%0.485SS..PPolyproline II helixtrans-60.1133.7178.635.40000110.2K373 I377 I378K373-S375 PolarHBondContact O-N 3.33Å; S375-I377 PolarHBondContact O-N 2.87Å; S375-I378 PolarHBondContact O-N 2.9Å
376Q43.3Very low62.6Low148 Ų14887.7 Ų87.769%0.69247%0.465SS*.THydrogen-bonded Turntrans-64-8.1-178.7-65-178.1-70.900113.6R374 I378 E379 V380R374-Q376 PolarHBondContact O-N 2.89Å; Q376-I378 PolarHBondContact O-N 2.86Å; Q376-E379 PolarHBondContact O-N 2.9Å; Q376-E379 VanDerWaalsContact O-N 3.16Å; Q376-V380 PolarHBondContact O-N 3.3Å
377I48.1Very low61.7Low83 Ų8387 Ų8743%0.42646%0.461SS..Hα-helixtrans-49.6-43.1172.9-58.9171.8000110.6S375 E379 V380 E381S375-I377 PolarHBondContact O-N 2.87Å; I377-E379 PolarHBondContact O-N 3.38Å; I377-V380 WeakPolarHBondContact O-CB 3.27Å; I377-V380 PolarHBondContact O-N 2.85Å; I377-V380 VanDerWaalsContact O-N 3.11Å; I377-E381 PolarHBondContact O-N 2.98Å
378I52.9Low60.8Low25 Ų2589 Ų8913%0.12848%0.477CS..Hα-helixtrans-69.2-33.2-176-64.2174.5000112.2R374 S375 Q376 V380 E381 D382 L651R374-I378 HydrophobicContact CG-CD1 4.16Å; S375-I378 PolarHBondContact O-N 2.9Å; Q376-I378 PolarHBondContact O-N 2.86Å; I378-V380 VanDerWaalsContact C-N 3.32Å; I378-E381 PolarHBondContact O-N 2.86Å; I378-D382 PolarHBondContact O-N 3.17Å; I378-L651 HydrophobicContact CD1-CD1 3.76Å
379E50.7Low60.2Low131 Ų13188.8 Ų88.861%0.61247%0.468SS*.Hα-helixtrans-67.8-34.1173-64.9-178.9141.900111.5Q376 I377 I383Q376-E379 PolarHBondContact O-N 2.9Å; Q376-E379 VanDerWaalsContact O-N 3.16Å; I377-E379 PolarHBondContact O-N 3.38Å; E379-I383 WeakPolarHBondContact O-CD1 3.46Å; E379-I383 WeakPolarHBondContact O-CG1 3.45Å; E379-I383 PolarHBondContact O-N 2.99Å
380V51.1Low59.7Low95 Ų9592.2 Ų92.258%0.57649%0.487SS*.Hα-helixtrans-72.9-32175.8-179.30000111.7Q376 I377 I378 I383 S384Q376-V380 PolarHBondContact O-N 3.3Å; I377-V380 WeakPolarHBondContact O-CB 3.27Å; I377-V380 PolarHBondContact O-N 2.85Å; I377-V380 VanDerWaalsContact O-N 3.11Å; I378-V380 VanDerWaalsContact C-N 3.32Å; V380-I383 WeakPolarHBondContact O-CB 3.24Å; V380-I383 PolarHBondContact O-N 2.9Å; V380-S384 PolarHBondContact O-N 3.03Å
381E52.4Low59.5Low68 Ų6891.6 Ų91.632%0.31848%0.482SS..Hα-helixtrans-86.2-25.9-179.8-96.9-177.1151.700114.9I377 I378 I383 S384 S385I377-E381 PolarHBondContact O-N 2.98Å; I378-E381 PolarHBondContact O-N 2.86Å; E381-I383 PolarHBondContact O-N 2.59Å; E381-S384 WeakPolarHBondContact CA-OG 3.4Å; E381-S384 PolarHBondContact O-N 2.04Å; E381-S384 PolarHBondContact O-OG 2.67Å; E381-S385 WeakPolarHBondContact O-CB 3.4Å; E381-S385 PolarHBondContact O-N 2.99Å; E381-S385 PolarHBondContact O-OG 2.93Å
382D57.3Low59.2Low86 Ų8692 Ų9246%0.4648%0.478SS..Hα-helixtrans-66.5-29.5164.6-74.3-19.4000110.5I378 S385 S386I378-D382 PolarHBondContact O-N 3.17Å; D382-S385 WeakPolarHBondContact CA-OG 3.36Å; D382-S385 PolarHBondContact O-OG 3.22Å; D382-S386 WeakPolarHBondContact O-CB 3.36Å; D382-S386 PolarHBondContact O-N 2.86Å; D382-S386 PolarHBondContact O-OG 2.91Å
383I59.4Low59.4Low101 Ų10193.4 Ų93.452%0.51848%0.479SS..Hα-helixtrans-71.7-44.5168.3-66.7167.5000111.6E379 V380 E381 S386 I387E379-I383 WeakPolarHBondContact O-CD1 3.46Å; E379-I383 WeakPolarHBondContact O-CG1 3.45Å; E379-I383 PolarHBondContact O-N 2.99Å; V380-I383 WeakPolarHBondContact O-CB 3.24Å; V380-I383 PolarHBondContact O-N 2.9Å; E381-I383 PolarHBondContact O-N 2.59Å; I383-S386 PolarHBondContact O-OG 2.86Å; I383-S386 VanDerWaalsContact O-OG 3.07Å; I383-I387 HydrophobicContact CG2-CD1 3.75Å; I383-I387 HydrophobicContact CG2-CG1 4.47Å; I383-I387 WeakPolarHBondContact O-CB 3.37Å; I383-I387 VanDerWaalsContact O-CG1 3.24Å; I383-I387 WeakPolarHBondContact O-CG1 3.5Å; I383-I387 PolarHBondContact O-N 2.88Å
384S56.9Low60Low58 Ų5889.6 Ų89.641%0.40647%0.467SS..Hα-helixtrans-69-37.1-178.176.50000113.2V380 E381 I387 S388V380-S384 PolarHBondContact O-N 3.03Å; E381-S384 WeakPolarHBondContact CA-OG 3.4Å; E381-S384 PolarHBondContact O-N 2.04Å; E381-S384 PolarHBondContact O-OG 2.67Å; S384-I387 PolarHBondContact O-N 2.96Å; S384-S388 PolarHBondContact O-N 2.82Å
385S59.8Low60.5Low48 Ų4885.6 Ų85.634%0.33646%0.456SS..Hα-helixtrans-68.1-45.8175.552.70000111.7E381 D382 I387 S388 D389E381-S385 WeakPolarHBondContact O-CB 3.4Å; E381-S385 PolarHBondContact O-N 2.99Å; E381-S385 PolarHBondContact O-OG 2.93Å; D382-S385 WeakPolarHBondContact CA-OG 3.36Å; D382-S385 PolarHBondContact O-OG 3.22Å; S385-I387 VanDerWaalsContact C-N 3.31Å; S385-I387 PolarHBondContact O-N 2.75Å; S385-S388 WeakPolarHBondContact O-CB 3.06Å; S385-S388 PolarHBondContact O-N 2.92Å; S385-S388 VanDerWaalsContact O-N 3.09Å; S385-D389 PolarHBondContact O-N 3.49Å
386S64.2Low61.4Low52 Ų5290 Ų9036%0.36447%0.469SS..Hα-helixtrans-63.7-33.1173.757.40000113D382 I383 N390D382-S386 WeakPolarHBondContact O-CB 3.36Å; D382-S386 PolarHBondContact O-N 2.86Å; D382-S386 PolarHBondContact O-OG 2.91Å; I383-S386 PolarHBondContact O-OG 2.86Å; I383-S386 VanDerWaalsContact O-OG 3.07Å; S386-N390 WeakPolarHBondContact O-CB 3.35Å; S386-N390 PolarHBondContact O-N 2.92Å; S386-N390 PolarHBondContact O-ND2 2.94Å
387I66.8Low62.6Low109 Ų10987.5 Ų87.556%0.55946%0.456SS*.Hα-helixtrans-63.2-45.3169.3-73.1167000111.2I383 S384 S385 F391I383-I387 HydrophobicContact CG2-CD1 3.75Å; I383-I387 HydrophobicContact CG2-CG1 4.47Å; I383-I387 WeakPolarHBondContact O-CB 3.37Å; I383-I387 VanDerWaalsContact O-CG1 3.24Å; I383-I387 WeakPolarHBondContact O-CG1 3.5Å; I383-I387 PolarHBondContact O-N 2.88Å; S384-I387 PolarHBondContact O-N 2.96Å; S385-I387 VanDerWaalsContact C-N 3.31Å; S385-I387 PolarHBondContact O-N 2.75Å; I387-F391 WeakPolarHBondContact O-CB 3.36Å; I387-F391 PolarHBondContact O-N 3.28Å
388S63.8Low63.2Low64 Ų6486.6 Ų86.645%0.44846%0.457SS..Hα-helixtrans-60.1-45.5177.7175.40000112.3S384 S385 F391 M392S384-S388 PolarHBondContact O-N 2.82Å; S385-S388 WeakPolarHBondContact O-CB 3.06Å; S385-S388 PolarHBondContact O-N 2.92Å; S385-S388 VanDerWaalsContact O-N 3.09Å; S388-F391 PolarHBondContact O-N 3.08Å; S388-M392 WeakPolarHBondContact O-CG 2.73Å; S388-M392 PolarHBondContact O-N 2.87Å
389D69.1Low63.3Low113 Ų11391.4 Ų91.460%0.60448%0.479SS*.Hα-helixtrans-69.1-42.4-178.9-72-23.7000111.9S385 F391 M392 E393S385-D389 PolarHBondContact O-N 3.49Å; D389-F391 VanDerWaalsContact C-N 3.3Å; D389-F391 PolarHBondContact O-N 2.94Å; D389-M392 PolarHBondContact O-N 2.82Å; D389-E393 PolarHBondContact O-N 3.13Å
390N71.4Confident63.2Low95 Ų9588.3 Ų88.351%0.50847%0.472SS..Hα-helixtrans-59.3-40171.9-82.7-69.4000112S386 E393 N394S386-N390 WeakPolarHBondContact O-CB 3.35Å; S386-N390 PolarHBondContact O-N 2.92Å; S386-N390 PolarHBondContact O-ND2 2.94Å; N390-E393 PolarHBondContact O-N 2.87Å; N390-N394 WeakPolarHBondContact O-CB 3.43Å; N390-N394 VanDerWaalsContact O-CG 3.29Å; N390-N394 PolarHBondContact O-N 2.92Å; N390-N394 PolarHBondContact O-ND2 3.04Å
391F71.7Confident63.3Low135 Ų13590.5 Ų90.559%0.59248%0.476SS*.Hα-helixtrans-64.9-43.2176.9-171.5-105.9000111.7I387 S388 D389 N394 I395I387-F391 WeakPolarHBondContact O-CB 3.36Å; I387-F391 PolarHBondContact O-N 3.28Å; S388-F391 PolarHBondContact O-N 3.08Å; D389-F391 VanDerWaalsContact C-N 3.3Å; D389-F391 PolarHBondContact O-N 2.94Å; F391-N394 PolarHBondContact O-N 2.85Å; F391-I395 HydrophobicContact CD1-CD1 3.84Å; F391-I395 HydrophobicContact CE1-CD1 3.52Å; F391-I395 HydrophobicContact CZ-CD1 4.04Å; F391-I395 WeakPolarHBondContact O-CG1 3.44Å; F391-I395 PolarHBondContact O-N 3.15Å
392M65.4Low63.1Low85 Ų8592.9 Ų92.942%0.41950%0.495SS..Hα-helixtrans-67.3-34.9176.1-72.6-62.4-6100113.4S388 D389 K396S388-M392 WeakPolarHBondContact O-CG 2.73Å; S388-M392 PolarHBondContact O-N 2.87Å; D389-M392 PolarHBondContact O-N 2.82Å; M392-K396 WeakPolarHBondContact O-CG 3.18Å; M392-K396 PolarHBondContact O-N 3.5Å
393E72.4Confident62.4Low94 Ų9495.8 Ų95.844%0.43951%0.51SS..Hα-helixtrans-68.3-42.4174.2-164.7-174.4137.400111.6D389 N390 I395 K396 K397D389-E393 PolarHBondContact O-N 3.13Å; N390-E393 PolarHBondContact O-N 2.87Å; E393-I395 VanDerWaalsContact C-N 3.34Å; E393-I395 PolarHBondContact O-N 2.03Å; E393-K396 WeakPolarHBondContact O-CB 3.46Å; E393-K396 PolarHBondContact O-N 3.4Å; E393-K396 VanDerWaalsContact O-N 3.14Å; E393-K397 PolarHBondContact O-N 2.89Å; E393-K397 WeakPolarHBondContact OE1-CE 3.23Å; E393-K397 IonicContact OE1-NZ 2.61Å; E393-K397 PolarHBondContact OE1-NZ 3.34Å
394N71.9Confident61.7Low97 Ų9799.5 Ų99.552%0.51952%0.523SS..Hα-helixtrans-63.8-36.8176.9-73.7-36.6000112.6N390 F391 K397 S398N390-N394 WeakPolarHBondContact O-CB 3.43Å; N390-N394 VanDerWaalsContact O-CG 3.29Å; N390-N394 PolarHBondContact O-N 2.92Å; N390-N394 PolarHBondContact O-ND2 3.04Å; F391-N394 PolarHBondContact O-N 2.85Å; N394-K397 PolarHBondContact O-N 3.19Å; N394-S398 PolarHBondContact O-N 2.89Å; N394-S398 PolarHBondContact O-OG 2.79Å
395I68.7Low61Low61 Ų61106.3 Ų106.331%0.31355%0.545SS..Hα-helixtrans-63.4-41.5171.6-71.9172000111.4F391 E393 S398 Q399F391-I395 HydrophobicContact CD1-CD1 3.84Å; F391-I395 HydrophobicContact CE1-CD1 3.52Å; F391-I395 HydrophobicContact CZ-CD1 4.04Å; F391-I395 WeakPolarHBondContact O-CG1 3.44Å; F391-I395 PolarHBondContact O-N 3.15Å; E393-I395 VanDerWaalsContact C-N 3.34Å; E393-I395 PolarHBondContact O-N 2.03Å; I395-S398 PolarHBondContact O-OG 2.88Å; I395-Q399 WeakPolarHBondContact O-CG 3.24Å; I395-Q399 PolarHBondContact O-N 2.87Å; I395-Q399 VanDerWaalsContact O-N 3.16Å
396K71.5Confident59.8Low141 Ų141107.7 Ų107.761%0.61357%0.566SS**Hα-helixtrans-63.2-44.8176.6-73.9172.5178.7176.10111.8M392 E393 Q399 S400M392-K396 WeakPolarHBondContact O-CG 3.18Å; M392-K396 PolarHBondContact O-N 3.5Å; E393-K396 WeakPolarHBondContact O-CB 3.46Å; E393-K396 PolarHBondContact O-N 3.4Å; E393-K396 VanDerWaalsContact O-N 3.14Å; K396-Q399 PolarHBondContact O-N 3.13Å; K396-S400 PolarHBondContact O-N 3.19Å; K396-S400 PolarHBondContact O-OG 2.78Å
397K69.1Low58.4Low96 Ų96109.2 Ų109.242%0.41759%0.59SS.*Hα-helixtrans-59.9-47.7177.5-75.3177.2-176.3163.20112E393 N394 Q399 S400 E401E393-K397 PolarHBondContact O-N 2.89Å; E393-K397 WeakPolarHBondContact OE1-CE 3.23Å; E393-K397 IonicContact OE1-NZ 2.61Å; E393-K397 PolarHBondContact OE1-NZ 3.34Å; N394-K397 PolarHBondContact O-N 3.19Å; K397-Q399 VanDerWaalsContact C-N 3.29Å; K397-Q399 PolarHBondContact O-N 3.45Å; K397-S400 WeakPolarHBondContact CA-OG 3.16Å; K397-S400 PolarHBondContact O-N 3.47Å; K397-S400 VanDerWaalsContact O-N 3.15Å; K397-S400 PolarHBondContact O-OG 2.86Å; K397-E401 PolarHBondContact O-N 2.79Å
398S61Low56.7Low64 Ų64113.1 Ų113.145%0.44861%0.606SS.*Hα-helixtrans-62.1-36.2179.569.20000112.7N394 I395 T402N394-S398 PolarHBondContact O-N 2.89Å; N394-S398 PolarHBondContact O-OG 2.79Å; I395-S398 PolarHBondContact O-OG 2.88Å; S398-T402 WeakPolarHBondContact O-CG2 3.36Å; S398-T402 PolarHBondContact O-N 3.11Å; S398-T402 PolarHBondContact O-OG1 2.82Å
399Q54.3Low55.4Low127 Ų127118.8 Ų118.859%0.59363%0.626SS**Hα-helixtrans-67.5-42.2173.7-72.2-178-8.400112.6I395 K396 K397 T402 L403I395-Q399 WeakPolarHBondContact O-CG 3.24Å; I395-Q399 PolarHBondContact O-N 2.87Å; I395-Q399 VanDerWaalsContact O-N 3.16Å; K396-Q399 PolarHBondContact O-N 3.13Å; K397-Q399 VanDerWaalsContact C-N 3.29Å; K397-Q399 PolarHBondContact O-N 3.45Å; Q399-T402 PolarHBondContact O-N 2.82Å; Q399-T402 PolarHBondContact O-OG1 2.97Å; Q399-L403 PolarHBondContact O-N 2.93Å
400S49.8Very low53.7Low65 Ų65122.8 Ų122.846%0.45564%0.641SS.*Hα-helixtrans-65.2-39.8176.448.10000113.4K396 K397 T402 L403K396-S400 PolarHBondContact O-N 3.19Å; K396-S400 PolarHBondContact O-OG 2.78Å; K397-S400 WeakPolarHBondContact CA-OG 3.16Å; K397-S400 PolarHBondContact O-N 3.47Å; K397-S400 VanDerWaalsContact O-N 3.15Å; K397-S400 PolarHBondContact O-OG 2.86Å; S400-T402 VanDerWaalsContact C-N 3.3Å; S400-T402 PolarHBondContact O-N 2.89Å; S400-L403 PolarHBondContact O-N 3.07Å; S400-L403 VanDerWaalsContact O-N 3.1Å
401E52.3Low51.8Low142 Ų142121.8 Ų121.866%0.66465%0.653SS**Hα-helixtrans-67.6-29.7178.5-72.3179.1-173.400112.6K397 L403K397-E401 PolarHBondContact O-N 2.79Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 2.88Å
402T48.2Very low50Low117 Ų117125 Ų12572%0.71867%0.67SS**Hα-helixtrans-73.3-15.3172.151.80000114.5S398 Q399 S400S398-T402 WeakPolarHBondContact O-CG2 3.36Å; S398-T402 PolarHBondContact O-N 3.11Å; S398-T402 PolarHBondContact O-OG1 2.82Å; Q399-T402 PolarHBondContact O-N 2.82Å; Q399-T402 PolarHBondContact O-OG1 2.97Å; S400-T402 VanDerWaalsContact C-N 3.3Å; S400-T402 PolarHBondContact O-N 2.89Å
403L42.5Very low48.2Very low148 Ų148130.6 Ų130.678%0.77570%0.695SS**Hα-helixtrans-95.9-16.2-176.8-150.294000114Q399 S400 E401Q399-L403 PolarHBondContact O-N 2.93Å; S400-L403 PolarHBondContact O-N 3.07Å; S400-L403 VanDerWaalsContact O-N 3.1Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 2.88Å
404F44.4Very low46.3Very low179 Ų179129.8 Ų129.879%0.78571%0.712SS**SBendtrans-104.712.9-169.2-106.3-84.4000115.4G406F404-G406 PolarHBondContact O-N 2.78Å
405K42.1Very low44.2Very low201 Ų201134.2 Ų134.287%0.87473%0.729SS**  trans-100.538.3-171.8-108-179.9-180175.10115.3
406G35.2Very low42.5Very low76 Ų76141.3 Ų141.378%0.78476%0.758SS**SBendtrans-152.9107.7176.700000113.6F404F404-G406 PolarHBondContact O-N 2.78Å
407G34Very low40.6Very low84 Ų84143.3 Ų143.387%0.86677%0.77SS**  trans118.492171.800000114.1
408E32.2Very low38.8Very low192 Ų192148.9 Ų148.990%0.89779%0.794SS**  trans-108.1136.1158.8-67.6178.1118.500108
409E35.7Very low37.2Very low183 Ų183149.3 Ų149.386%0.85581%0.808SS**  172.4130.7128-94.6173-177.600112.7
410E34.5Very low36Very low197 Ų197152.7 Ų152.792%0.92182%0.824SS**  trans56143.6155.5-53.2-167.5151.700122.7
411G31.1Very low34.9Very low74 Ų74158.2 Ų158.276%0.76384%0.842SS**  trans165.512.3164.400000125.7
412E33.9Very low33.9Very low203 Ų203160.8 Ų160.895%0.94985%0.854SS**  trans61.1-175.5166.8-65-167.9145.900120.3
413E28.5Very low32.8Very low201 Ų201161.9 Ų161.994%0.93985%0.851SS**  trans-113.9165.8-145.4-52.4179.4127.200116.6
414G31.3Very low32Very low78 Ų78163.7 Ų163.780%0.80486%0.858SS**  trans169.696.2162.200000117.2
415E29Very low31Very low189 Ų189162.5 Ų162.588%0.88385%0.853SS**  trans-73.9145.3172.9-64.9-175.6121.600114.2
416K32.7Very low30.4Very low210 Ų210159.4 Ų159.491%0.91385%0.851SS**  -169.1147.8123-107.2151.4-169.6157.20115.5
417E30Very low29.9Very low184 Ų184165.1 Ų165.186%0.8685%0.854SS**  trans-74.9154.3-179.8-50.8166.2104.800113.6
418K32.5Very low29.6Very low213 Ų213166.8 Ų166.893%0.92685%0.849SS**  -165.1126.9122.3-107.4166.7-174.4179.10110.4
419G27.3Very low29.4Very low73 Ų73167.8 Ų167.875%0.75385%0.851SS**  trans-93174.7-179.100000114.1
420H29.9Very low29.1Very low197 Ų197166.2 Ų166.291%0.91285%0.847SS**  trans-141137.5154.4-125.1-86000108.3
421E26.2Very low28.7Very low182 Ų182159.9 Ų159.985%0.8584%0.835SS**  trans-114.1129.9-174.4-173.3176.8-142.100108.4
422E30Very low28.6Very low196 Ų196167.1 Ų167.192%0.91684%0.839SS**  trans-148.8129.8169.6-133.1172.5-135.600110.4
423E25.5Very low28.2Very low139 Ų139165 Ų16565%0.6583%0.834SS**  trans-112.8115.1-163.8-174.7-152.5-161.200111K425E423-K425 HydrophobicContact CG-CG 4.44Å; E423-K425 WeakPolarHBondContact OE1-CE 3.24Å; E423-K425 IonicContact OE1-NZ 2.65Å; E423-K425 PolarHBondContact OE1-NZ 3.41Å; E423-K425 IonicContact OE2-NZ 2.73Å; E423-K425 PolarHBondContact OE2-NZ 2.79Å
424M26.7Very low28.2Very low187 Ų187165 Ų16592%0.92183%0.827SS**  trans-118.6102.2174.2-157.6173.2-162.100112.8T426M424-T426 PolarHBondContact O-N 2.89Å
425K23.7Very low27.9Very low154 Ų154168.9 Ų168.967%0.6783%0.829SS**  trans-74.8112.8-176.3-63.7179.3167.887.80112.8E423E423-K425 HydrophobicContact CG-CG 4.44Å; E423-K425 WeakPolarHBondContact OE1-CE 3.24Å; E423-K425 IonicContact OE1-NZ 2.65Å; E423-K425 PolarHBondContact OE1-NZ 3.41Å; E423-K425 IonicContact OE2-NZ 2.73Å; E423-K425 PolarHBondContact OE2-NZ 2.79Å
426T28.5Very low28Very low136 Ų136165.9 Ų165.983%0.83482%0.824SS**PPolyproline II helixtrans-103.1126.7158.845.30000110M424M424-T426 PolarHBondContact O-N 2.89Å
427K25.8Very low27.8Very low195 Ų195162.3 Ų162.385%0.84882%0.82SS**PPolyproline II helixtrans-83.6144-177.8-72.6179.1176.4177.70111
428P27.2Very low27.6Very low119 Ų119159.4 Ų159.477%0.77382%0.815SS**PPolyproline II helixtrans-66144.8175.428.7-35000111.3
429F27.1Very low27.4Very low214 Ų214158.9 Ų158.994%0.93982%0.816SS**PPolyproline II helixtrans-72.8131.4172.4-135.7-97.9000109.2G431F429-G431 PolarHBondContact O-N 2.61Å; F429-G431 VanDerWaalsContact O-N 3.15Å
430I29.4Very low27.4Very low149 Ų149161.6 Ų161.676%0.76481%0.813SS**  trans-76.3106.5-175.8-66171.8000109.5
431G27.2Very low27.3Very low64 Ų64158 Ų15866%0.6680%0.8SS**  trans-77.1147.8167.600000111.8F429F429-G431 PolarHBondContact O-N 2.61Å; F429-G431 VanDerWaalsContact O-N 3.15Å
432W28.8Very low27.3Very low226 Ų226156.4 Ų156.486%0.85680%0.798SS**  trans-97.2103170.9-69.384000109.1Y434W432-Y434 PolarHBondContact O-N 3.28Å
433N25.8Very low27.3Very low159 Ų159152.8 Ų152.885%0.8579%0.794SS**  trans-65.6132.8168.3-888.9000109.9
434Y28Very low27.2Very low201 Ų201154 Ų15479%0.78881%0.805SS**  trans-113.6110.2165-90.2-87.7000109W432 T436W432-Y434 PolarHBondContact O-N 3.28Å; Y434-T436 PolarHBondContact O-N 3.3Å
435D24.7Very low27.3Very low159 Ų159153.9 Ų153.985%0.8581%0.805SS**  trans-68.1111.8167.4-69-49.6000109.4
436T31.3Very low27.3Very low127 Ų127153.8 Ų153.878%0.77981%0.811SS**  trans-133.7106162.843.40000109.9Y434 T438Y434-T436 PolarHBondContact O-N 3.3Å; T436-T438 PolarHBondContact O-N 3.07Å
437T28.3Very low27.4Very low135 Ų135153.1 Ų153.183%0.82881%0.809SS**  trans-79.4117.9-179.431.90000111.8
438T25.4Very low27.4Very low123 Ų123149.7 Ų149.776%0.75581%0.805SS**  trans28.6107.2142.956.70000117.9T436T436-T438 PolarHBondContact O-N 3.07Å
439H29.3Very low27.5Very low201 Ų201155.1 Ų155.193%0.93181%0.811SS**  trans-139.2151.5139.1-122-88.3000111
440N26.4Very low27.5Very low131 Ų131154.4 Ų154.470%0.70181%0.813SS**  trans-114.4164.6-151.7-162.711000114.1
441N28.4Very low27.6Very low120 Ų120157.1 Ų157.164%0.64282%0.82SS**  trans83119163.8-54-47000119.9
442N26.2Very low27.5Very low149 Ų149161.6 Ų161.680%0.79782%0.821SS**  48.3109.7129.9-56-14.8000120.4
443S29.3Very low27.6Very low120 Ų120159.3 Ų159.384%0.83982%0.82SS**  -170.6152.8114.250.10000112.4
444N24.9Very low27.7Very low166 Ų166158.4 Ų158.489%0.88881%0.814SS**  trans-73.4132.7175.8-66.7-28.3000111.2
445M28Very low27.6Very low184 Ų184155 Ų15591%0.90681%0.813SS**  trans-154.1133.3152.7-124.5-178.7-17700113.4
446N23.2Very low27.8Very low152 Ų152153.8 Ų153.881%0.81381%0.812SS**  trans-78.1147.2173.7-67.6-25.5000111.5
447P31.1Very low27.7Very low121 Ų121153.3 Ų153.379%0.78681%0.805SS**  trans-119.498.1151.433.2-21000111.3Y449P447-Y449 PolarHBondContact O-N 3.11Å; P447-Y449 VanDerWaalsContact O-N 3.09Å
448T25.6Very low27.6Very low123 Ų123152.8 Ų152.876%0.75581%0.807SS**  trans-74.192.217146.30000111.5
449Y30Very low27.9Very low233 Ų233157.7 Ų157.791%0.91481%0.811SS**  trans-148.498.4162.5-83.5-67.5000112.1P447P447-Y449 PolarHBondContact O-N 3.11Å; P447-Y449 VanDerWaalsContact O-N 3.09Å
450M26.9Very low28.1Very low199 Ų199155.2 Ų155.298%0.9880%0.804SS**  trans-132.3134161.6-153.9-174.8-160.600108.2
451K30Very low28.4Very low206 Ų206151.8 Ų151.890%0.89679%0.789SS**  trans-127.7129.3-170.6-161.7176.8-177-176.70109.8
452K26.5Very low28.7Very low159 Ų159152.9 Ų152.969%0.69179%0.793SS**  trans-55.4141.4-179.4-65-177175-1750111.6
453H30.2Very low29Very low178 Ų178153.2 Ų153.282%0.82480%0.795SS**  -171.7111.1106.6-91.9-72.8000109.5
454L27.4Very low28.9Very low139 Ų139150.6 Ų150.673%0.72879%0.787SS**  65.478.680.7-107.7168.6000116.1
455V26Very low28.9Very low129 Ų129150.6 Ų150.678%0.78279%0.787SS**  trans29.6115.6140.4-172.20000119
456T28.9Very low28.9Very low135 Ų135149.8 Ų149.883%0.82879%0.785SS**  trans-143.8119.1149.351.10000112.8
457N28.8Very low29.1Very low117 Ų117151.8 Ų151.863%0.62679%0.787SS**  trans25.8122.3155.9-61.8-6.4000120.9
458S26.3Very low28.7Very low123 Ų123152.7 Ų152.786%0.8679%0.79SS**  trans-50.7140.116547.60000114
459R33.5Very low28.7Very low227 Ų227152.7 Ų152.786%0.85779%0.79SS**  trans-136.7152.6160.4-70.3-168.2178-175.70.8110.1
460I33.1Very low28.4Very low149 Ų149147.5 Ų147.576%0.76478%0.783SS**  trans-89.5120.4-164.9-53.2164.5000109.5I462I460-I462 HydrophobicContact CB-CG1 4.34Å; I460-I462 HydrophobicContact CG2-CD1 4.5Å; I460-I462 HydrophobicContact CG2-CG1 3.68Å; I460-I462 PolarHBondContact O-N 2.65Å
461C31.7Very low28.4Very low58 Ų58144.1 Ų144.139%0.39277%0.774SS.*  trans-71.9110.9159.4-55.50000107.7D347 C348D347-C461 PolarHBondContact O-SG 2.82Å; D347-C461 VanDerWaalsContact O-SG 3.36Å; C348-C461 WeakPolarHBondContact CA-SG 3.47Å; C348-C461 HydrophobicContact CB-CB 3.82Å; C348-C461 WeakPolarHBondContact CB-SG 3.17Å; C348-C461 WeakPolarHBondContact SG-CB 3.48Å; C348-C461 CovalentContact SG-SG 2.04Å; C348-C461 PolarHBondContact SG-SG 3.01Å
462I34.1Very low28.1Very low144 Ų144140.4 Ų140.474%0.73877%0.768SS**  trans-97.8116.9174-60.1179.8000108I460I460-I462 HydrophobicContact CB-CG1 4.34Å; I460-I462 HydrophobicContact CG2-CD1 4.5Å; I460-I462 HydrophobicContact CG2-CG1 3.68Å; I460-I462 PolarHBondContact O-N 2.65Å
463D32.5Very low28.2Very low156 Ų156139.3 Ų139.383%0.83478%0.775SS**  trans-67.2162.5176.1-98.4-46.3000113.5
464G27.5Very low28.1Very low64 Ų64136.4 Ų136.466%0.6678%0.775SS**SBendtrans-16.5132.2-179.400000120.2
465N24.8Very low28Very low166 Ų166138.4 Ų138.489%0.88878%0.783SS**  trans70.496.3166.5-58-46.6000117.2
466L28.4Very low28Very low168 Ų168140.5 Ų140.588%0.8878%0.784SS**  trans-115.9122.4148.4-150.376.3000110
467K27Very low28.1Very low194 Ų194140.8 Ų140.884%0.84378%0.781SS**  trans-67135.6169.3-78.8179.6175176.30109.1T469K467-T469 PolarHBondContact O-N 3.07Å
468T23.1Very low28.2Very low139 Ų139143.9 Ų143.985%0.85379%0.788SS**  trans-66.6111.6170.348.40000110.7
469T25.8Very low28.1Very low124 Ų124146.7 Ų146.776%0.76179%0.793SS**  trans-130.7115.8162.3-53.50000108.5K467K467-T469 PolarHBondContact O-N 3.07Å
470T24.8Very low27.9Very low124 Ų124140.4 Ų140.476%0.76178%0.784SS**  trans-91.5118.2-170.9-250000111.4
471T25.9Very low27.8Very low127 Ų127138.4 Ų138.478%0.77978%0.783SS**  trans-141.574.6169.335.90000112.1
472T24.3Very low27.7Very low128 Ų128142.7 Ų142.779%0.78580%0.8SS**  trans-85.8106.9165.247.80000110.8
473T28Very low27.6Very low136 Ų136143.5 Ų143.583%0.83481%0.806SS**  trans-162.4159.9165.214.70000112.7
474S27.1Very low27.4Very low117 Ų117142.9 Ų142.982%0.81880%0.803SS**  trans71.164.2165-161.10000117.8
475M25.8Very low27.7Very low181 Ų181148.5 Ų148.589%0.89281%0.812SS**  trans-78.4169144.6-153.5171.2-175.700109.5
476E26.8Very low28Very low173 Ų173147.8 Ų147.881%0.80880%0.803SS**  trans70.7113.4173.9-52.2-167.3142.900118.6
477N31.1Very low28Very low142 Ų142145.4 Ų145.476%0.75979%0.791SS**  -161127.6128.4-114.2-86.7000112.7
478K29.7Very low28.2Very low181 Ų181143.3 Ų143.379%0.78778%0.784SS**  trans61.990.5150.9-66175.3-174.61790120.5
479L25Very low28.5Very low183 Ų183143.8 Ų143.896%0.95878%0.781SS**  trans-65.1126.8143.3178.281000111.4
480S29.2Very low28.5Very low95 Ų95140.5 Ų140.566%0.66477%0.772SS**  trans-170.9151.416252.80000112.5
481S31Very low28.6Very low107 Ų107142.7 Ų142.775%0.74878%0.778SS**  trans54.3114.5-173.951.30000114.6
482I28.9Very low28.7Very low147 Ų147143.1 Ų143.175%0.75478%0.775SS**  cis60.6101.728.9-46.4178.1000112.7
483D32.6Very low28.7Very low161 Ų161142.7 Ų142.786%0.86176%0.764SS**  -156.7158.4116.7-104.5-31.5000111.3
484N28.8Very low28.6Very low144 Ų144145.7 Ų145.777%0.7776%0.76SS**  trans-134129.3-171.9-95.7-50000111.8
485H33.5Very low28.6Very low181 Ų181146.2 Ų146.284%0.83876%0.759SS**  trans-150.9130.3151.6-96.8-89.7000107.7
486Q30.7Very low28.7Very low151 Ų151142.3 Ų142.371%0.70675%0.747SS**  66.1129.155.8-63.1-76.9300110.3
487L28.9Very low28.9Very low119 Ų119143.8 Ų143.862%0.62375%0.75SS**  cis-172.6153.324173.861.1000111.4
488Q31.4Very low28.8Very low150 Ų150143.6 Ų143.670%0.70175%0.749SS**  trans65.5160.8157.6-80.7167.8-9.400119.4
489N28.3Very low28.8Very low149 Ų149141.3 Ų141.380%0.79775%0.751SS**  cis-159167-10.2-124.4-15.5000112.2
490G27.6Very low29Very low55 Ų55140.3 Ų140.357%0.56775%0.745SS**  trans107.6118162.900000114.3
491L25.4Very low29.1Very low169 Ų169140.4 Ų140.489%0.88575%0.751SS**  66.111971.8-60.9164.5000111.3
492L27.7Very low28.9Very low136 Ų136142.7 Ų142.771%0.71276%0.755SS**  cis-144.514423.5-145.580.1000114.2
493E25.9Very low29Very low120 Ų120142.2 Ų142.256%0.56176%0.759SS**  trans34.9142.6141.9-76-167.3147.400126.1
494R26Very low29Very low198 Ų198141.9 Ų141.975%0.74776%0.755SS**  trans77.6107.3135.2-75.4170.1174.9143.20.3121
495T25.8Very low29.1Very low129 Ų129142.5 Ų142.579%0.79176%0.759SS**  trans-36.4168.6135.950.50000115.4
496P28.5Very low29.2Very low99 Ų99139.4 Ų139.464%0.64375%0.748SS**  cis-130.31612.739.7-24.4000116.1
497K31.1Very low29.5Very low204 Ų204137.1 Ų137.189%0.88774%0.737SS**  trans-144.4117.9158.4-63-175-177.1178.70106
498N28.4Very low29.9Very low138 Ų138140.1 Ų140.174%0.73875%0.748SS**  cis61.685.823.9-74.914.6000114.7
499T29.5Very low30.1Very low133 Ų133138.6 Ų138.682%0.81675%0.745SS**  163.6154.5106.4-55.90000108.8
500I30.4Very low30.3Very low162 Ų162137.2 Ų137.283%0.83173%0.732SS**  trans74.169.9-179.3-40.6178.9000114.3
501A29.7Very low30.6Very low97 Ų97142.4 Ų142.480%0.80273%0.734SS**  trans-152.159.4156.400000108.9
502N28.4Very low31Very low155 Ų155137.5 Ų137.583%0.82972%0.718SS**  trans-85.4143.5178.4-78-6.5000110.5
503V30Very low31.2Very low137 Ų137135.2 Ų135.283%0.8371%0.71SS**SBendtrans76.7140.5-173.4-163.20000112.8
504I33.2Very low31.4Very low154 Ų154133.3 Ų133.379%0.7971%0.714SS**  trans72.352.7-177.9-30.7178.8000116.1
505D31.1Very low31.7Very low157 Ų157133.4 Ų133.484%0.8472%0.715SS**SBendtrans-134.539.8151.9-16014.6000111.1
506L34.3Very low31.8Very low116 Ų116137 Ų13761%0.60772%0.72SS**  trans-15162.4-175.2-73.8178.9000111.2F510L506-F510 HydrophobicContact CB-CD2 3.9Å; L506-F510 HydrophobicContact CB-CE2 4.39Å; L506-F510 HydrophobicContact CD1-CD2 4.44Å; L506-F510 HydrophobicContact CD1-CE2 4.12Å; L506-F510 HydrophobicContact CD2-CD2 4.03Å; L506-F510 HydrophobicContact CD2-CE2 4.19Å; L506-F510 HydrophobicContact CG-CD2 4.35Å; L506-F510 HydrophobicContact CG-CE2 4.48Å
507E37.1Very low31.9Very low103 Ų103138 Ų13848%0.48172%0.724SS.*SBendtrans-133.5-27.1166-152.9-179.5145.500114.8R511E507-R511 WeakPolarHBondContact O-CB 3.49Å; E507-R511 PolarHBondContact O-N 2.94Å; E507-R511 IonicContact OE1-CZ 2.64Å; E507-R511 IonicContact OE1-NH1 3.86Å; E507-R511 PolarHBondContact OE1-NH1 2.84Å; E507-R511 IonicContact OE1-NH2 3.09Å; E507-R511 PolarHBondContact OE1-NH2 3.17Å
508E37.4Very low31.9Very low182 Ų182133.5 Ų133.585%0.8571%0.714SS**Hα-helixtrans-75.6-47.7169.1-60.7-142.6124.200111F510 R511 A512E508-F510 VanDerWaalsContact C-N 3.3Å; E508-F510 PolarHBondContact O-N 2.86Å; E508-R511 PolarHBondContact O-N 3.08Å; E508-A512 PolarHBondContact O-N 3.05Å
509D35.4Very low31.9Very low118 Ų118133.5 Ų133.563%0.63171%0.712SS**Hα-helixtrans-67-27.8172.1-89.1-15.4000113.3A512 T513D509-A512 PolarHBondContact O-N 2.9Å; D509-T513 VanDerWaalsContact O-CB 3.27Å; D509-T513 WeakPolarHBondContact O-CB 3.41Å; D509-T513 PolarHBondContact O-N 2.81Å; D509-T513 PolarHBondContact O-OG1 2.82Å
510F33.8Very low31.8Very low120 Ų120134 Ų13453%0.52671%0.711SS.*Hα-helixtrans-76.2-29.7173.3-108.2-98.8000113.2L506 E508 A512 T513 A514L506-F510 HydrophobicContact CB-CD2 3.9Å; L506-F510 HydrophobicContact CB-CE2 4.39Å; L506-F510 HydrophobicContact CD1-CD2 4.44Å; L506-F510 HydrophobicContact CD1-CE2 4.12Å; L506-F510 HydrophobicContact CD2-CD2 4.03Å; L506-F510 HydrophobicContact CD2-CE2 4.19Å; L506-F510 HydrophobicContact CG-CD2 4.35Å; L506-F510 HydrophobicContact CG-CE2 4.48Å; E508-F510 VanDerWaalsContact C-N 3.3Å; E508-F510 PolarHBondContact O-N 2.86Å; F510-A512 VanDerWaalsContact C-N 3.35Å; F510-T513 PolarHBondContact O-N 2.9Å; F510-A514 WeakPolarHBondContact O-CB 3.46Å; F510-A514 PolarHBondContact O-N 2.79Å
511R33.4Very low31.7Very low163 Ų163133.2 Ų133.262%0.61571%0.713SS**Hα-helixtrans-75.4-22.3168.4-79.9-156.5-178.678.814.4113.6E507 E508E507-R511 WeakPolarHBondContact O-CB 3.49Å; E507-R511 PolarHBondContact O-N 2.94Å; E507-R511 IonicContact OE1-CZ 2.64Å; E507-R511 IonicContact OE1-NH1 3.86Å; E507-R511 PolarHBondContact OE1-NH1 2.84Å; E507-R511 IonicContact OE1-NH2 3.09Å; E507-R511 PolarHBondContact OE1-NH2 3.17Å; E508-R511 PolarHBondContact O-N 3.08Å
512A33.8Very low31.7Very low67 Ų67134.7 Ų134.755%0.55471%0.713SS**Hα-helixtrans-72.8-38.4166.700000112.2E508 D509 F510E508-A512 PolarHBondContact O-N 3.05Å; D509-A512 PolarHBondContact O-N 2.9Å; F510-A512 VanDerWaalsContact C-N 3.35Å
513T32.3Very low31.9Very low88 Ų88135.1 Ų135.154%0.5472%0.715SS.*Hα-helixtrans-94.5-20.5-170.7-500000114.6D509 F510 R515D509-T513 VanDerWaalsContact O-CB 3.27Å; D509-T513 WeakPolarHBondContact O-CB 3.41Å; D509-T513 PolarHBondContact O-N 2.81Å; D509-T513 PolarHBondContact O-OG1 2.82Å; F510-T513 PolarHBondContact O-N 2.9Å; T513-R515 CarbonylContact O-C 3.5Å; T513-R515 PolarHBondContact O-N 2.88Å
514A30.8Very low32Very low79 Ų79135.4 Ų135.465%0.65371%0.712SS**SBendtrans-717.3172.700000114.1F510F510-A514 WeakPolarHBondContact O-CB 3.46Å; F510-A514 PolarHBondContact O-N 2.79Å
515R30.4Very low31.8Very low201 Ų201133.8 Ų133.876%0.75871%0.709SS**SBendtrans-119.4126.1160.9-64.7173.7175.9173.7-1.8105.5T513T513-R515 CarbonylContact O-C 3.5Å; T513-R515 PolarHBondContact O-N 2.88Å
516F29.4Very low31.8Very low203 Ų203131.7 Ų131.789%0.8970%0.702SS**SBendtrans90.440.2-166.3-66.3-85000118.4
517T29.9Very low31.5Very low121 Ų121132.9 Ų132.974%0.74271%0.709SS**  trans-136.6101.413626.90000107.7
518T31Very low31.3Very low109 Ų109133.7 Ų133.767%0.66972%0.721SS**  57.682.667.2-43.70000109.5
519I29.3Very low30.9Very low138 Ų138130.5 Ų130.571%0.70871%0.714SS**  65.1114.783-61.6170.1000112.2
520N27.3Very low30.8Very low145 Ų145130.9 Ų130.978%0.77572%0.716SS**  trans62.1100.4161.3-61.1-9.5000119.7
521T28.5Very low30.7Very low144 Ų144132 Ų13288%0.88373%0.728SS**  -173.5143113.9340000108.3
522T28.2Very low30.7Very low129 Ų129129.1 Ų129.179%0.79173%0.733SS**  cis-125.2131.6-0.250.40000110.7
523N32.4Very low30.5Very low164 Ų164132.4 Ų132.488%0.87774%0.741SS**  trans-135.6153.1159.2-136.4-12.3000108.5
524N32.3Very low30.5Very low142 Ų142134.4 Ų134.476%0.75975%0.747SS**  trans-71142.1-161.9-71.6-42.3000114.5
525T29.8Very low30.2Very low120 Ų120138.3 Ų138.374%0.73676%0.756SS**  trans63.3130.4149.247.30000121.3
526T30.3Very low30.3Very low113 Ų113136.6 Ų136.669%0.69376%0.76SS**  trans72.896.914651.10000121.9
527N29.6Very low30.1Very low142 Ų142133.4 Ų133.476%0.75975%0.753SS**  90.4141.4119.1-62.3-6000122.8
528T31.6Very low30.3Very low120 Ų120136.3 Ų136.374%0.73676%0.76SS**  trans6598.5155.843.40000118.3
529T30.5Very low30.1Very low114 Ų114138.2 Ų138.270%0.69977%0.766SS**  68.2136.284.460.20000114.7
530N31.5Very low30.2Very low126 Ų126139.2 Ų139.267%0.67477%0.767SS**  cis-165.3146.16.2-109.5-7.2000111.5
531N33Very low30.2Very low143 Ų143139.8 Ų139.877%0.76576%0.763SS**  trans59.7171.5148.6-58.5-13.5000119
532S32.8Very low30.3Very low103 Ų103141.7 Ų141.772%0.7276%0.762SS**  cis-176.1170.3-40.671.90000107
533N29.7Very low30.2Very low136 Ų136140.7 Ų140.773%0.72776%0.756SS**  cis-165.9-170.62.6-150.3-20.6000109.2
534I31.4Very low30Very low130 Ų130140 Ų14067%0.66775%0.751SS**  trans54.3109.6146.9-66.7160.8000116.8
535L25.1Very low29.8Very low162 Ų162140.1 Ų140.185%0.84875%0.75SS**  cis59109.647.7-165.791.7000116
536I32.4Very low29.9Very low165 Ų165140 Ų14085%0.84675%0.745SS**  trans-163.7153.4142.7-105.9151.8000111.2
537N26.3Very low29.9Very low136 Ų136140.2 Ų140.273%0.72774%0.742SS**  trans-116.4146-175.316928.8000109.6
538M33.7Very low29.9Very low182 Ų182139.1 Ų139.190%0.89774%0.737SS**  trans-173.9144.5147.7-106161.2-154.800113.9
539N27.1Very low30Very low148 Ų148141.3 Ų141.379%0.79174%0.738SS**  trans-83.8149.7158.1-71.6-48.7000109.7
540E30.8Very low30Very low159 Ų159143.1 Ų143.174%0.74374%0.738SS**  -175.8176.1118.9-95-133100.500113.7
541K27.7Very low29.7Very low158 Ų158141.2 Ų141.269%0.68773%0.734SS**  trans-75.7154.1-165.1-44.5123.9179.4155.90114.5
542Q29.8Very low29.6Very low183 Ų183144 Ų14486%0.85574%0.74SS**  172.8132.6122.1-89.6153.111.200107.9
543T27.2Very low29.2Very low108 Ų108147.8 Ų147.866%0.66375%0.751SS**  cis81.8106.637.666.60000116.9
544I26.8Very low29.1Very low151 Ų151144.6 Ų144.677%0.77475%0.75SS**  trans90.7154.6152.3-53.6152.6000116.7
545L29.2Very low29Very low143 Ų143149.3 Ų149.375%0.74976%0.76SS**  trans75.9134.7-175.8-61.7104.2000115.7
546N30.6Very low29Very low118 Ų118147.9 Ų147.963%0.63175%0.753SS**  cis-156.2132.9-7.2-126.516.8000115.1
547N30.8Very low28.9Very low117 Ų117145.8 Ų145.863%0.62675%0.748SS**  56.1129.3129.4-67.1-2.5000125.9
548N30.1Very low29Very low120 Ų120145.7 Ų145.764%0.64275%0.748SS**  trans69.6132.4139.5-53.1-12.8000118.6
549H32.9Very low28.8Very low166 Ų166144.3 Ų144.377%0.76974%0.743SS**  cis-139.4139.541.1-90.7-100.3000112.5
550H30.9Very low28.8Very low152 Ų152144.1 Ų144.170%0.70474%0.741SS**  59.7140.787.1-86.4-87.1000116.8
551S25.9Very low28.8Very low85 Ų85141.8 Ų141.859%0.59474%0.743SS**  cis175.8159.5-2449.90000110.7
552K30.5Very low28.9Very low202 Ų202139.9 Ų139.988%0.87875%0.749SS**  trans97.8126.3-179.1-61.3167177.1177.10113.4
553L24.2Very low29Very low182 Ų182136.3 Ų136.395%0.95374%0.741SS**  cis83.6120.52.9-154.678.4000119.4
554G28.5Very low29.1Very low69 Ų69136.4 Ų136.471%0.71175%0.747SS**  trans115.5143.8167.700000113.8
555R27.8Very low29.1Very low229 Ų229134.9 Ų134.986%0.86474%0.744SS**  cis-158.2127.8-5.4-97.4-174.6-179.6159.1-0.6108.4
556N26.9Very low29Very low133 Ų133134.8 Ų134.871%0.71174%0.743SS**  83.9158.6106.4-67.525.8000116.9
557T29.6Very low28.7Very low121 Ų121135.9 Ų135.974%0.74275%0.749SS**  trans73.1135170.967.90000117.2
558D28.8Very low28.5Very low134 Ų134138.4 Ų138.472%0.71776%0.757SS**  cis-163.4155.2-14.7-109.8-22.2000112.9
559L28.6Very low28.3Very low152 Ų152137.8 Ų137.880%0.79676%0.762SS**  trans66.9150.4165.1-56.9158.1000116.4
560L28Very low28Very low145 Ų145138.4 Ų138.476%0.75977%0.77SS**  cis-1551662.7-129162.2000111.1
561S31Very low27.7Very low110 Ų110136 Ų13677%0.76977%0.768SS**  trans65.587.3167.740.10000120.3
562S28.8Very low27.6Very low117 Ų117139 Ų13982%0.81878%0.782SS**  trans-68.6-171.7162.7-22.70000114
563P32.8Very low27.4Very low108 Ų108138 Ų13870%0.70178%0.781SS**  cis-141168.5-4.438.3-19.1000118.4
564S28Very low27.4Very low111 Ų111133.4 Ų133.478%0.77676%0.764SS**  trans66.9152.6147.9760000119.6
565V28.2Very low27.6Very low119 Ų119136.5 Ų136.572%0.72177%0.772SS**  cis-141.2119.617.7168.60000113
566I26.8Very low27.5Very low140 Ų140136 Ų13672%0.71877%0.771SS**  trans56.1114.1135.3-55.3179000122.7
567N24.3Very low27.5Very low142 Ų142140.3 Ų140.376%0.75978%0.777SS**  trans80.6153.4140.5-71.7-5.5000126.2
568Q26.3Very low27.4Very low169 Ų169140.6 Ų140.679%0.7977%0.774SS**  trans84.694.2151.6-82.5165.9300121.5
569S25.4Very low27.1Very low107 Ų107143.6 Ų143.675%0.74878%0.776SS**  32.5112.4128.7580000119.9P571S569-P571 WeakPolarHBondContact O-CD 3.33Å
570L26.3Very low27Very low179 Ų179143.3 Ų143.394%0.93778%0.776SS**  trans-99.1108.4167.2-91.7158.3000112
571P24.8Very low27Very low103 Ų103141 Ų14167%0.66977%0.772SS**  trans-86.2158.2162.235.3-33.4000111.5S569 Q573S569-P571 WeakPolarHBondContact O-CD 3.33Å; P571-Q573 PolarHBondContact O-N 2.8Å
572V24.7Very low26.8Very low146 Ų146142.2 Ų142.289%0.88577%0.774SS**  trans-73.6107.4170.7175.90000109.8
573Q25.9Very low26.7Very low182 Ų182139.7 Ų139.785%0.8577%0.766SS**  trans-165.1158.4158.5-114.3157.34.100115.1P571P571-Q573 PolarHBondContact O-N 2.8Å
574S23.4Very low26.4Very low85 Ų85141.5 Ų141.559%0.59477%0.77SS**  trans-69.2143.4-169.954.20000116.2Y576S574-Y576 PolarHBondContact O-N 3.03Å
575P33.3Very low26.3Very low135 Ų135146.5 Ų146.588%0.87778%0.778SS**  trans-90.448.1170.437.6-35.6000114R577P575-R577 PolarHBondContact O-N 2.87Å
576Y25.2Very low26.4Very low217 Ų217146.4 Ų146.485%0.85177%0.774SS**  trans-87.192.4159.6-80.8-69.9000108.8S574S574-Y576 PolarHBondContact O-N 3.03Å
577R26.7Very low26.6Very low224 Ų224144.9 Ų144.985%0.84578%0.775SS**  trans-149.4114.7174.6-147.1164.2-161.2-164.42.9116.9P575P575-R577 PolarHBondContact O-N 2.87Å
578L27.3Very low26.9Very low127 Ų127144.8 Ų144.867%0.66577%0.768SS**  trans50.1114.2156-88.773.2000119.1N580L578-N580 HydrophobicContact CD2-CB 4.19Å; L578-N580 HydrophobicContact CG-CB 4.24Å
579Y23.4Very low27.2Very low198 Ų198144 Ų14478%0.77677%0.765SS**  trans-11866.2137.2-142.1-87.3000109.9S581Y579-S581 PolarHBondContact O-N 2.81Å
580N26.2Very low27.6Very low146 Ų146145.9 Ų145.978%0.78177%0.765SS**  trans-87.487.3172.7-94.415.4000109.9L578L578-N580 HydrophobicContact CD2-CB 4.19Å; L578-N580 HydrophobicContact CG-CB 4.24Å
581S27.4Very low27.9Very low97 Ų97144 Ų14468%0.67875%0.751SS**  trans-156.252168-173.30000111.6Y579Y579-S581 PolarHBondContact O-N 2.81Å
582V27.7Very low28.3Very low135 Ų135143.9 Ų143.982%0.81874%0.744SS**  trans-105.982.7165.2-175.40000107.8
583G26.8Very low28.7Very low63 Ų63143 Ų14365%0.64973%0.734SS**  trans-131.8138.6171.800000108.8
584N25.2Very low29.1Very low146 Ų146141.9 Ų141.978%0.78173%0.727SS**  trans54.679.1-176.9-64.1-4.5000115.6
585F27.8Very low29.5Very low217 Ų217140.7 Ų140.795%0.95272%0.718SS**  -110.3133.9128.1-130.7-97000108.3S587F585-S587 PolarHBondContact O-N 3.34Å
586N29.4Very low29.6Very low116 Ų116139.6 Ų139.662%0.6271%0.705SS**  trans-80.4123.4-155.3-71.5-42.5000113.4K588N586-K588 PolarHBondContact O-N 2.77Å
587S30.6Very low30.2Very low108 Ų108137.7 Ų137.776%0.75570%0.704SS**THydrogen-bonded Turntrans-70.966.1163.4-168.80000110.7F585F585-S587 PolarHBondContact O-N 3.34Å
588K31Very low30.5Very low140 Ų140136.4 Ų136.461%0.60971%0.705SS**THydrogen-bonded Turntrans-140.9-40.6172.7-76.9-160.4166.8-162.90111.9N586 I590 Q591 D592N586-K588 PolarHBondContact O-N 2.77Å; K588-I590 PolarHBondContact O-N 2.95Å; K588-Q591 PolarHBondContact O-N 3.17Å; K588-D592 PolarHBondContact O-N 2.79Å
589H32.6Very low30.8Very low154 Ų154133.9 Ų133.971%0.71370%0.698SS**THydrogen-bonded Turntrans-66.6-0.1-174.8-143.3-48.3000115.6
590I33.1Very low31.3Very low146 Ų146131.2 Ų131.275%0.74970%0.697SS**THydrogen-bonded Turntrans-118.3-16.3175.3-63.4175.7000111.6K588K588-I590 PolarHBondContact O-N 2.95Å
591Q33.1Very low31.7Very low138 Ų138131.7 Ų131.765%0.64570%0.698SS**THydrogen-bonded Turntrans-93.8-31.1175.8-81-179.9-36.600112.7K588 L593K588-Q591 PolarHBondContact O-N 3.17Å; Q591-L593 PolarHBondContact O-N 2.91Å
592D33.6Very low31.9Very low101 Ų101131.4 Ų131.454%0.5470%0.696SS.*THydrogen-bonded Turntrans-72.6-6.9176.3-56.2-28.2000112.7K588K588-D592 PolarHBondContact O-N 2.79Å
593L33.7Very low32.1Very low127 Ų127132 Ų13267%0.66570%0.695SS**THydrogen-bonded Turntrans-93.3-1.3-177.5-112.7159.7000114.4Q591Q591-L593 PolarHBondContact O-N 2.91Å
594F33.2Very low32.5Very low159 Ų159137.6 Ų137.670%0.69770%0.701SS**SBendtrans-124.24.2-179.6-88.3-84.9000114L631F594-L631 HydrophobicContact CZ-CD1 4.44Å
595S32.6Very low33.1Very low60 Ų60137.6 Ų137.642%0.4270%0.701SS.*SBendtrans-96.9-25.4-177.652.10000115.2
596D35Very low33.3Very low112 Ų112134.3 Ų134.360%0.59969%0.694SS**SBendtrans-96.9-16.1-164.3-71.411.7000113.9S599 N600D596-S599 PolarHBondContact O-OG 2.94Å; D596-N600 PolarHBondContact O-ND2 2.84Å; D596-N600 VanDerWaalsContact O-ND2 3.1Å
597E37.6Very low33.8Very low177 Ų177134.8 Ų134.883%0.82770%0.703SS**SBendtrans-89.5-18-179.4-153163.3-148.900113
598F32.8Very low34.2Very low197 Ų197134.7 Ų134.786%0.86470%0.7SS**SBendtrans-97.9-4178.7-118.4-88.9000114.8
599S34Very low34.5Very low75 Ų75135.2 Ų135.252%0.52471%0.708SS.*SBendtrans-96.1-14.6-177.454.70000114.1D596 I601D596-S599 PolarHBondContact O-OG 2.94Å; S599-I601 PolarHBondContact O-N 2.84Å
600N34.6Very low34.9Very low142 Ų142134.7 Ų134.776%0.75971%0.71SS**THydrogen-bonded Turntrans-86.44.6-177.1-78.4-64.5000115.1D596D596-N600 PolarHBondContact O-ND2 2.84Å; D596-N600 VanDerWaalsContact O-ND2 3.1Å
601I34Very low35Very low156 Ų156132.7 Ų132.780%0.871%0.707SS**THydrogen-bonded Turntrans-113.734.1177.6-40-176.5000111.5S599S599-I601 PolarHBondContact O-N 2.84Å
602S32Very low35.2Very low91 Ų91133.3 Ų133.364%0.63672%0.715SS**SBendtrans-165.188.9164-165.80000113.5
603N32.4Very low35.3Very low147 Ų147137.9 Ų137.979%0.78673%0.732SS**  trans167.9149141.2-101.6-75.7000113.3
604K34.1Very low35.1Very low180 Ų180137.8 Ų137.878%0.78374%0.742SS**  trans68.4127.2168.7-63170-175.4172.10116
605N37.2Very low35.1Very low146 Ų146134.8 Ų134.878%0.78174%0.742SS**  cis-146155.80.4-72.8-47.1000111
606N33.1Very low35.1Very low149 Ų149137.4 Ų137.480%0.79776%0.76SS**  trans-80.7160.4177.3-61.1-2.6000112.7
607P39.9Very low35.2Very low125 Ų125140.1 Ų140.181%0.81277%0.772SS**  -114.5174.895.8-9.529.4000115.2
608P38.9Very low35.1Very low107 Ų107140 Ų14070%0.69577%0.774SS**  trans-111.7-166.5-159.342.4-35.2000116.4
609I37.5Very low35.5Very low150 Ų150139 Ų13977%0.76977%0.774SS**  trans90.4126.9175.1-55156.5000113.1
610D40.4Very low36Very low144 Ų144141.1 Ų141.177%0.7778%0.779SS**  cis-152.7171-16.5-113.8-18.8000109
611P35.7Very low36.7Very low103 Ų103138.1 Ų138.167%0.66977%0.768SS**  trans-90.4-172.1-164.837.4-38.9000116.6
612D36.2Very low37.3Very low152 Ų152138.8 Ų138.881%0.81377%0.765SS**  trans8272.6164.4-62.9-10.1000119.9
613Q36.5Very low38.1Very low196 Ų196141.1 Ų141.192%0.91677%0.77SS**  -148.9124.5129.7-119171.745.700112.3
614S29.2Very low39.2Very low125 Ų125139.3 Ų139.387%0.87476%0.759SS**  trans-104.8101.2-171.359.70000112.9
615S34.3Very low40.5Very low97 Ų97139 Ų13968%0.67875%0.754SS**  trans-150.1120.7169.150.50000113.5
616S31.7Very low42.1Very low114 Ų114137.4 Ų137.480%0.79774%0.74SS**  trans36.2102.3151.558.90000119.9
617I37.9Very low43.9Very low170 Ų170133.4 Ų133.487%0.87272%0.724SS**  trans-124.9112.9142.7-60.8-178.4000108.1
618M34.1Very low45.4Very low175 Ų175131.4 Ų131.486%0.86271%0.707SS**  trans-89.8111.3176.1-176.4175.7178.600108.7N620M618-N620 PolarHBondContact O-N 3.43Å
619M42Very low47Very low175 Ų175131.1 Ų131.186%0.86270%0.699SS**  trans-68117.1-178.3-155.5171.9-164.200109.7P621M619-P621 WeakPolarHBondContact O-CD 3.44Å
620N44.7Very low48.6Very low119 Ų119128.6 Ų128.664%0.63668%0.683SS**  trans-82113.9-166.8-167.4-11.5000111.2M618 F622M618-N620 PolarHBondContact O-N 3.43Å; N620-F622 PolarHBondContact O-N 3.18Å
621P48.3Very low50.2Low79 Ų79125.9 Ų125.951%0.51367%0.669SS.*THydrogen-bonded Turntrans-61.8-21.8-172.5-24.435.1000114.5M619 L623 I624M619-P621 WeakPolarHBondContact O-CD 3.44Å; P621-L623 PolarHBondContact O-N 2.79Å; P621-L623 VanDerWaalsContact O-N 3.15Å; P621-I624 PolarHBondContact O-N 3Å
622F47.7Very low52.1Low171 Ų171125.6 Ų125.675%0.7566%0.661SS**Hα-helixtrans-60.9-25-172.7-147.3-89.6000114.1N620N620-F622 PolarHBondContact O-N 3.18Å
623L49.1Very low54Low139 Ų139121.4 Ų121.473%0.72864%0.637SS**Hα-helixtrans-76.7-35-176.1-146.377.7000113P621 K626P621-L623 PolarHBondContact O-N 2.79Å; P621-L623 VanDerWaalsContact O-N 3.15Å; L623-K626 WeakPolarHBondContact O-CB 3.14Å; L623-K626 PolarHBondContact O-N 2.65Å
624I55.7Low55.7Low110 Ų110116.1 Ų116.156%0.56462%0.615SS**Hα-helixtrans-74.2-43.4-179.7-60.3174.2000110.1P621 K626 S627 D628P621-I624 PolarHBondContact O-N 3Å; I624-K626 PolarHBondContact O-N 2.84Å; I624-K626 VanDerWaalsContact O-N 3.08Å; I624-S627 PolarHBondContact O-N 2.89Å; I624-S627 PolarHBondContact O-OG 3.11Å; I624-D628 PolarHBondContact O-N 3.04Å
625Y61.3Low58Low172 Ų172115.3 Ų115.368%0.67560%0.598SS**Hα-helixtrans-60.3-20.4174.6-83.2-76.4000113.7L629Y625-L629 WeakPolarHBondContact O-CB 3.24Å; Y625-L629 PolarHBondContact O-N 3.49Å
626K70.6Confident59.9Low113 Ų113115.3 Ų115.349%0.49159%0.59SS.*Hα-helixtrans-71.7-45.8177.5-170.4178.5-177.3-78.40112.4L623 I624 L629 E630L623-K626 WeakPolarHBondContact O-CB 3.14Å; L623-K626 PolarHBondContact O-N 2.65Å; I624-K626 PolarHBondContact O-N 2.84Å; I624-K626 VanDerWaalsContact O-N 3.08Å; K626-L629 PolarHBondContact O-N 2.68Å; K626-E630 WeakPolarHBondContact CE-OE1 3.36Å; K626-E630 IonicContact NZ-OE1 3.65Å; K626-E630 PolarHBondContact NZ-OE1 2.97Å; K626-E630 IonicContact NZ-OE2 3.27Å; K626-E630 WeakPolarHBondContact O-CG 3.36Å; K626-E630 PolarHBondContact O-N 3.48Å
627S71.2Confident62Low65 Ų65117.1 Ų117.146%0.45558%0.579SS.*Hα-helixtrans-65.9-42.9-179.746.40000111.9I624 L629 E630 L631I624-S627 PolarHBondContact O-N 2.89Å; I624-S627 PolarHBondContact O-OG 3.11Å; S627-L629 VanDerWaalsContact C-N 3.32Å; S627-L629 PolarHBondContact O-N 2.91Å; S627-E630 PolarHBondContact O-N 3.26Å; S627-L631 PolarHBondContact O-N 2.8Å
628D70Confident63.9Low84 Ų84115.5 Ų115.545%0.44957%0.566SS.*Hα-helixtrans-65.7-38.8-179.2-61.6-1.7000110.8I624 L631 I632I624-D628 PolarHBondContact O-N 3.04Å; D628-L631 PolarHBondContact O-N 2.53Å; D628-I632 WeakPolarHBondContact O-CD1 3.49Å; D628-I632 VanDerWaalsContact O-CG1 3.28Å; D628-I632 WeakPolarHBondContact O-CG1 3.35Å; D628-I632 PolarHBondContact O-N 3.08Å
629L72.9Confident66Low101 Ų101111.3 Ų111.353%0.52955%0.546SS..Hα-helixtrans-67.4-41175.8-17664.1000112.4Y625 K626 S627 L631 I632 I633Y625-L629 WeakPolarHBondContact O-CB 3.24Å; Y625-L629 PolarHBondContact O-N 3.49Å; K626-L629 PolarHBondContact O-N 2.68Å; S627-L629 VanDerWaalsContact C-N 3.32Å; S627-L629 PolarHBondContact O-N 2.91Å; L629-L631 VanDerWaalsContact C-N 3.33Å; L629-L631 PolarHBondContact O-N 2.98Å; L629-I632 PolarHBondContact O-N 3.14Å; L629-I633 HydrophobicContact CD1-CD1 4.26Å; L629-I633 HydrophobicContact CG-CD1 3.92Å; L629-I633 WeakPolarHBondContact O-CB 3.46Å; L629-I633 VanDerWaalsContact O-CG1 3.24Å; L629-I633 WeakPolarHBondContact O-CG1 3.46Å; L629-I633 PolarHBondContact O-N 2.86Å
630E71.5Confident67.6Low96 Ų96106.1 Ų106.145%0.44952%0.524SS..Hα-helixtrans-64.9-35.9176.6-76.7175.5-171.100112.2K626 S627 N634K626-E630 WeakPolarHBondContact CE-OE1 3.36Å; K626-E630 IonicContact NZ-OE1 3.65Å; K626-E630 PolarHBondContact NZ-OE1 2.97Å; K626-E630 IonicContact NZ-OE2 3.27Å; K626-E630 WeakPolarHBondContact O-CG 3.36Å; K626-E630 PolarHBondContact O-N 3.48Å; S627-E630 PolarHBondContact O-N 3.26Å; E630-N634 PolarHBondContact O-N 2.85Å; E630-N634 VanDerWaalsContact O-N 3.16Å; E630-N634 PolarHBondContact O-ND2 3.34Å
631L73.2Confident69.2Low88 Ų88106.6 Ų106.646%0.46152%0.521SS..Hα-helixtrans-64.8-49.5172.6-175.266.6000111.7F594 S627 D628 L629 I633 N634 E635F594-L631 HydrophobicContact CZ-CD1 4.44Å; S627-L631 PolarHBondContact O-N 2.8Å; D628-L631 PolarHBondContact O-N 2.53Å; L629-L631 VanDerWaalsContact C-N 3.33Å; L629-L631 PolarHBondContact O-N 2.98Å; L631-I633 VanDerWaalsContact C-N 3.31Å; L631-I633 PolarHBondContact O-N 2.85Å; L631-N634 PolarHBondContact O-N 3.44Å; L631-N634 VanDerWaalsContact O-N 3.09Å; L631-E635 PolarHBondContact O-N 3Å
632I76.4Confident70.6Confident97 Ų97107.7 Ų107.750%0.49752%0.518SS..Hα-helixtrans-60.8-39.5178.7-69.3164.9000111.4D628 L629 N634 L636D628-I632 WeakPolarHBondContact O-CD1 3.49Å; D628-I632 VanDerWaalsContact O-CG1 3.28Å; D628-I632 WeakPolarHBondContact O-CG1 3.35Å; D628-I632 PolarHBondContact O-N 3.08Å; L629-I632 PolarHBondContact O-N 3.14Å; I632-N634 VanDerWaalsContact C-N 3.32Å; I632-N634 PolarHBondContact O-N 3.17Å; I632-L636 HydrophobicContact CG2-CD1 3.94Å; I632-L636 HydrophobicContact CG2-CG 4.5Å; I632-L636 WeakPolarHBondContact O-CB 3.38Å; I632-L636 WeakPolarHBondContact O-CG 3.44Å; I632-L636 PolarHBondContact O-N 2.95Å
633I75.3Confident72Confident64 Ų64104.2 Ų104.233%0.32851%0.506SS..Hα-helixtrans-62.9-37.9175.4-74.2167.7000111.5L629 L631 R637L629-I633 HydrophobicContact CD1-CD1 4.26Å; L629-I633 HydrophobicContact CG-CD1 3.92Å; L629-I633 WeakPolarHBondContact O-CB 3.46Å; L629-I633 VanDerWaalsContact O-CG1 3.24Å; L629-I633 WeakPolarHBondContact O-CG1 3.46Å; L629-I633 PolarHBondContact O-N 2.86Å; L631-I633 VanDerWaalsContact C-N 3.31Å; L631-I633 PolarHBondContact O-N 2.85Å; I633-R637 VanDerWaalsContact CG2-CZ 3.49Å; I633-R637 WeakPolarHBondContact O-CB 3.37Å; I633-R637 WeakPolarHBondContact O-CD 3.45Å; I633-R637 WeakPolarHBondContact O-CG 3.29Å; I633-R637 PolarHBondContact O-N 3.01Å
634N73.6Confident73.4Confident84 Ų84104.4 Ų104.445%0.44950%0.497SS..Hα-helixtrans-73.5-39.1179.6-72.7-29.2000112.8E630 L631 I632 R637 F638E630-N634 PolarHBondContact O-N 2.85Å; E630-N634 VanDerWaalsContact O-N 3.16Å; E630-N634 PolarHBondContact O-ND2 3.34Å; L631-N634 PolarHBondContact O-N 3.44Å; L631-N634 VanDerWaalsContact O-N 3.09Å; I632-N634 VanDerWaalsContact C-N 3.32Å; I632-N634 PolarHBondContact O-N 3.17Å; N634-R637 PolarHBondContact O-N 3.18Å; N634-R637 PolarHBondContact OD1-NH1 2.87Å; N634-F638 PolarHBondContact O-N 2.87Å
635E77.3Confident74.4Confident108 Ų108102.4 Ų102.451%0.50549%0.487SS..Hα-helixtrans-64.6-43.2171.6-75-60.114200111.9L631 R637 F638 I639L631-E635 PolarHBondContact O-N 3Å; E635-R637 PolarHBondContact O-N 2.92Å; E635-F638 PolarHBondContact O-N 3.32Å; E635-F638 VanDerWaalsContact O-N 3.16Å; E635-I639 WeakPolarHBondContact O-CG1 3.29Å; E635-I639 PolarHBondContact O-N 3.19Å
636L74.1Confident75.1Confident98 Ų9897.3 Ų97.351%0.51347%0.472SS..Hα-helixtrans-59.6-44.5173.3-78.2169.3000111.8I632 F638 I639 T640I632-L636 HydrophobicContact CG2-CD1 3.94Å; I632-L636 HydrophobicContact CG2-CG 4.5Å; I632-L636 WeakPolarHBondContact O-CB 3.38Å; I632-L636 WeakPolarHBondContact O-CG 3.44Å; I632-L636 PolarHBondContact O-N 2.95Å; L636-F638 VanDerWaalsContact C-N 3.32Å; L636-F638 PolarHBondContact O-N 3.07Å; L636-I639 PolarHBondContact O-N 3.36Å; L636-T640 WeakPolarHBondContact O-CB 3.15Å; L636-T640 PolarHBondContact O-N 3.49Å; L636-T640 PolarHBondContact O-OG1 2.84Å
637R74.8Confident75.4Confident152 Ų15294.8 Ų94.857%0.57446%0.462SS*.Hα-helixtrans-59-41173.7-77166.6177164.1-1.9112.4I633 N634 E635 K641I633-R637 VanDerWaalsContact CG2-CZ 3.49Å; I633-R637 WeakPolarHBondContact O-CB 3.37Å; I633-R637 WeakPolarHBondContact O-CD 3.45Å; I633-R637 WeakPolarHBondContact O-CG 3.29Å; I633-R637 PolarHBondContact O-N 3.01Å; N634-R637 PolarHBondContact O-N 3.18Å; N634-R637 PolarHBondContact OD1-NH1 2.87Å; E635-R637 PolarHBondContact O-N 2.92Å; R637-K641 WeakPolarHBondContact O-CB 3.4Å; R637-K641 PolarHBondContact O-N 3.28Å
638F78.7Confident75.7Confident136 Ų13695.3 Ų95.360%0.59646%0.457SS*.Hα-helixtrans-65.1-44.4177.1-179.9-101.2000111.5N634 E635 L636 K641 K642N634-F638 PolarHBondContact O-N 2.87Å; E635-F638 PolarHBondContact O-N 3.32Å; E635-F638 VanDerWaalsContact O-N 3.16Å; L636-F638 VanDerWaalsContact C-N 3.32Å; L636-F638 PolarHBondContact O-N 3.07Å; F638-K641 PolarHBondContact O-N 2.9Å; F638-K642 VanDerWaalsContact O-CB 3.28Å; F638-K642 WeakPolarHBondContact O-CB 3.44Å; F638-K642 PolarHBondContact O-N 3.2Å
639I77.4Confident76Confident87 Ų8794 Ų9445%0.44645%0.451SS..Hα-helixtrans-65.4-50.7177.7-66.5165.1000111.1E635 L636 K641 K642 L643E635-I639 WeakPolarHBondContact O-CG1 3.29Å; E635-I639 PolarHBondContact O-N 3.19Å; L636-I639 PolarHBondContact O-N 3.36Å; I639-K641 VanDerWaalsContact C-N 3.32Å; I639-K641 PolarHBondContact O-N 3.23Å; I639-K642 PolarHBondContact O-N 3.19Å; I639-K642 VanDerWaalsContact O-N 3.1Å; I639-L643 HydrophobicContact CG2-CD1 3.98Å; I639-L643 HydrophobicContact CG2-CG 4.45Å; I639-L643 WeakPolarHBondContact O-CG 3.45Å; I639-L643 PolarHBondContact O-N 3.38Å
640T75.6Confident76.2Confident66 Ų6695.5 Ų95.541%0.40546%0.455SS..Hα-helixtrans-59.5-42.1176.9-63.50000111.4L636 L643 R644L636-T640 WeakPolarHBondContact O-CB 3.15Å; L636-T640 PolarHBondContact O-N 3.49Å; L636-T640 PolarHBondContact O-OG1 2.84Å; T640-L643 PolarHBondContact O-N 3.27Å; T640-R644 WeakPolarHBondContact O-CB 3.44Å; T640-R644 PolarHBondContact O-N 3.28Å
641K77.8Confident76.5Confident128 Ų12892.5 Ų92.556%0.55744%0.441SS*.Hα-helixtrans-61.9-46.4173-178.1177.1176.5-176.90111.3R637 F638 I639 L643 R644 D645R637-K641 WeakPolarHBondContact O-CB 3.4Å; R637-K641 PolarHBondContact O-N 3.28Å; F638-K641 PolarHBondContact O-N 2.9Å; I639-K641 VanDerWaalsContact C-N 3.32Å; I639-K641 PolarHBondContact O-N 3.23Å; K641-L643 VanDerWaalsContact C-N 3.3Å; K641-L643 PolarHBondContact O-N 3.01Å; K641-R644 PolarHBondContact O-N 2.82Å; K641-D645 WeakPolarHBondContact CE-OD2 3.39Å; K641-D645 WeakPolarHBondContact O-CB 3.48Å; K641-D645 PolarHBondContact O-N 3.13Å
642K78.8Confident76.7Confident103 Ų10390.2 Ų90.245%0.44843%0.429SS..Hα-helixtrans-64.3-34.9-178.5-174.458.4-174.3140.60112.5F638 I639 N646F638-K642 VanDerWaalsContact O-CB 3.28Å; F638-K642 WeakPolarHBondContact O-CB 3.44Å; F638-K642 PolarHBondContact O-N 3.2Å; I639-K642 PolarHBondContact O-N 3.19Å; I639-K642 VanDerWaalsContact O-N 3.1Å; K642-N646 WeakPolarHBondContact CE-OD1 3.44Å; K642-N646 PolarHBondContact NZ-OD1 3.21Å; K642-N646 WeakPolarHBondContact O-CB 3.38Å; K642-N646 PolarHBondContact O-N 2.95Å; K642-N646 VanDerWaalsContact O-N 3.14Å; K642-N646 PolarHBondContact O-ND2 3.36Å; K642-N646 PolarHBondContact O-OD1 3.11Å
643L77.5Confident76.8Confident97 Ų9786.7 Ų86.751%0.50841%0.413SS..Hα-helixtrans-66.7-50.1171.6-70.3170000111.1I639 T640 K641 D645 N646 E647I639-L643 HydrophobicContact CG2-CD1 3.98Å; I639-L643 HydrophobicContact CG2-CG 4.45Å; I639-L643 WeakPolarHBondContact O-CG 3.45Å; I639-L643 PolarHBondContact O-N 3.38Å; T640-L643 PolarHBondContact O-N 3.27Å; K641-L643 VanDerWaalsContact C-N 3.3Å; K641-L643 PolarHBondContact O-N 3.01Å; L643-D645 VanDerWaalsContact C-N 3.33Å; L643-D645 PolarHBondContact O-N 3.45Å; L643-N646 PolarHBondContact O-N 3.3Å; L643-E647 PolarHBondContact O-N 3.13Å
644R77.4Confident77.1Confident143 Ų14387.1 Ų87.154%0.5442%0.415SS..Hα-helixtrans-56.9-43.3177.1-175.9-178.3-177.1113.5-1112.9T640 K641 Q648T640-R644 WeakPolarHBondContact O-CB 3.44Å; T640-R644 PolarHBondContact O-N 3.28Å; K641-R644 PolarHBondContact O-N 2.82Å; R644-Q648 VanDerWaalsContact O-CB 3.27Å; R644-Q648 WeakPolarHBondContact O-CB 3.38Å; R644-Q648 PolarHBondContact O-N 3.24Å
645D77.3Confident77.6Confident68 Ų6886.2 Ų86.236%0.36441%0.409SS..Hα-helixtrans-62.5-50.5176.5-66.5-17.3000109.7K641 L643 E647 Q648 D649K641-D645 WeakPolarHBondContact CE-OD2 3.39Å; K641-D645 WeakPolarHBondContact O-CB 3.48Å; K641-D645 PolarHBondContact O-N 3.13Å; L643-D645 VanDerWaalsContact C-N 3.33Å; L643-D645 PolarHBondContact O-N 3.45Å; D645-E647 PolarHBondContact O-N 3.39Å; D645-Q648 PolarHBondContact O-N 3.33Å; D645-D649 PolarHBondContact O-N 3.41Å
646N76.6Confident78Confident66 Ų6681.3 Ų81.335%0.35339%0.385SS..Hα-helixtrans-60.4-43.1177.5-65.8-10.1000113.1K642 L643 Q648 D649 E650K642-N646 WeakPolarHBondContact CE-OD1 3.44Å; K642-N646 PolarHBondContact NZ-OD1 3.21Å; K642-N646 WeakPolarHBondContact O-CB 3.38Å; K642-N646 PolarHBondContact O-N 2.95Å; K642-N646 VanDerWaalsContact O-N 3.14Å; K642-N646 PolarHBondContact O-ND2 3.36Å; K642-N646 PolarHBondContact O-OD1 3.11Å; L643-N646 PolarHBondContact O-N 3.3Å; N646-Q648 VanDerWaalsContact C-N 3.34Å; N646-D649 PolarHBondContact O-N 2.88Å; N646-E650 PolarHBondContact O-N 3Å
647E76.8Confident78.5Confident59 Ų5980 Ų8028%0.27638%0.375SS..Hα-helixtrans-66-37.4178.2-75.2-163.1167.300111.8L643 D645 D649 E650 L651L643-E647 PolarHBondContact O-N 3.13Å; D645-E647 PolarHBondContact O-N 3.39Å; E647-D649 VanDerWaalsContact C-N 3.33Å; E647-E650 PolarHBondContact O-N 3.27Å; E647-L651 WeakPolarHBondContact O-CB 3.35Å; E647-L651 VanDerWaalsContact O-CG 3.29Å; E647-L651 WeakPolarHBondContact O-CG 3.47Å; E647-L651 PolarHBondContact O-N 3.27Å
648Q76.8Confident79.1Confident76 Ų7673.1 Ų73.136%0.35535%0.35SS..Hα-helixtrans-67.6-35.6176.7-174.258.451.100111.4R644 D645 N646 M652R644-Q648 VanDerWaalsContact O-CB 3.27Å; R644-Q648 WeakPolarHBondContact O-CB 3.38Å; R644-Q648 PolarHBondContact O-N 3.24Å; D645-Q648 PolarHBondContact O-N 3.33Å; N646-Q648 VanDerWaalsContact C-N 3.34Å; Q648-M652 HydrophobicContact CG-CE 4Å; Q648-M652 WeakPolarHBondContact O-CG 3.38Å; Q648-M652 PolarHBondContact O-N 2.99Å
649D75.8Confident79.5Confident58 Ų5866.7 Ų66.731%0.3132%0.322SS..Hα-helixtrans-68.2-43.3171.3-69.4-29.5000111.9A346 D645 N646 E647 L651 M652 S653A346-D649 HydrophobicContact CB-CB 4.27Å; A346-D649 WeakPolarHBondContact CB-O 3.46Å; D645-D649 PolarHBondContact O-N 3.41Å; N646-D649 PolarHBondContact O-N 2.88Å; E647-D649 VanDerWaalsContact C-N 3.33Å; D649-L651 PolarHBondContact O-N 3.31Å; D649-M652 PolarHBondContact O-N 3.48Å; D649-S653 PolarHBondContact O-N 3.22Å
650E77.2Confident80Confident132 Ų13262.6 Ų62.662%0.61730%0.301SS*.Hα-helixtrans-59.2-46.5173.8-78.7-162.7-176.900111.6N646 E647 S653 L654N646-E650 PolarHBondContact O-N 3Å; E647-E650 PolarHBondContact O-N 3.27Å; E650-S653 WeakPolarHBondContact O-CB 3.44Å; E650-S653 PolarHBondContact O-N 3.05Å; E650-S653 VanDerWaalsContact O-N 3.15Å; E650-S653 PolarHBondContact O-OG 2.72Å; E650-L654 WeakPolarHBondContact O-CG 3.45Å; E650-L654 PolarHBondContact O-N 3.42Å
651L78.4Confident80.6Confident32 Ų3265 Ų6517%0.16830%0.303CS..Hα-helixtrans-60.1-44.5176-75.9173.9000112.2R374 I378 E647 D649 S653 L654 E655R374-L651 HydrophobicContact CG-CD1 4.16Å; R374-L651 HydrophobicContact CG-CD2 4.28Å; I378-L651 HydrophobicContact CD1-CD1 3.76Å; E647-L651 WeakPolarHBondContact O-CB 3.35Å; E647-L651 VanDerWaalsContact O-CG 3.29Å; E647-L651 WeakPolarHBondContact O-CG 3.47Å; E647-L651 PolarHBondContact O-N 3.27Å; D649-L651 PolarHBondContact O-N 3.31Å; L651-S653 VanDerWaalsContact C-N 3.31Å; L651-S653 PolarHBondContact O-N 3.03Å; L651-L654 WeakPolarHBondContact O-CB 3.44Å; L651-L654 PolarHBondContact O-N 2.89Å; L651-L654 VanDerWaalsContact O-N 3.14Å; L651-E655 PolarHBondContact O-N 3.05Å
652M76.2Confident81.1Confident41 Ų4159 Ų5920%0.20228%0.276CS..Hα-helixtrans-64.9-34.3174.8-76.7-157-121.400112.2A346 S350 Q648 D649 L654 E655 W656A346-M652 HydrophobicContact CB-CB 3.5Å; A346-M652 VanDerWaalsContact CB-CB 3.5Å; S350-M652 WeakPolarHBondContact CB-SD 3.29Å; Q648-M652 HydrophobicContact CG-CE 4Å; Q648-M652 WeakPolarHBondContact O-CG 3.38Å; Q648-M652 PolarHBondContact O-N 2.99Å; D649-M652 PolarHBondContact O-N 3.48Å; M652-L654 VanDerWaalsContact C-N 3.31Å; M652-L654 PolarHBondContact O-N 2.87Å; M652-E655 PolarHBondContact O-N 3.14Å; M652-W656 PolarHBondContact O-N 2.96Å; M652-W656 VanDerWaalsContact O-N 3.1Å
653S79.5Confident81.6Confident22 Ų2255.5 Ų55.515%0.15426%0.262CS..Hα-helixtrans-65.8-35.6172.494.20000111.7D649 E650 L651 W656 K657D649-S653 PolarHBondContact O-N 3.22Å; E650-S653 WeakPolarHBondContact O-CB 3.44Å; E650-S653 PolarHBondContact O-N 3.05Å; E650-S653 VanDerWaalsContact O-N 3.15Å; E650-S653 PolarHBondContact O-OG 2.72Å; L651-S653 VanDerWaalsContact C-N 3.31Å; L651-S653 PolarHBondContact O-N 3.03Å; S653-W656 PolarHBondContact O-N 3.41Å; S653-K657 WeakPolarHBondContact O-CB 3.37Å; S653-K657 WeakPolarHBondContact O-CD 3.42Å; S653-K657 WeakPolarHBondContact O-CG 3.34Å; S653-K657 PolarHBondContact O-N 3.01Å; S653-K657 PolarHBondContact OG-NZ 3.38Å
654L82Confident82.3Confident74 Ų7451.2 Ų51.239%0.38724%0.24SC..Hα-helixtrans-70.6-36.3176-70.9168.4000111.7E650 L651 M652 F658E650-L654 WeakPolarHBondContact O-CG 3.45Å; E650-L654 PolarHBondContact O-N 3.42Å; L651-L654 WeakPolarHBondContact O-CB 3.44Å; L651-L654 PolarHBondContact O-N 2.89Å; L651-L654 VanDerWaalsContact O-N 3.14Å; M652-L654 VanDerWaalsContact C-N 3.31Å; M652-L654 PolarHBondContact O-N 2.87Å; L654-F658 WeakPolarHBondContact O-CB 3.4Å; L654-F658 PolarHBondContact O-N 2.88Å
655E83.1Confident82.8Confident65 Ų6550.3 Ų50.330%0.30424%0.236SC..Hα-helixtrans-63.3-44.3171.5-69.5-159.3163.600112.1V351 L651 M652 F658 A659V351-E655 HydrophobicContact CG2-CB 3.73Å; L651-E655 PolarHBondContact O-N 3.05Å; M652-E655 PolarHBondContact O-N 3.14Å; E655-F658 PolarHBondContact O-N 2.91Å; E655-A659 WeakPolarHBondContact O-CB 3.43Å; E655-A659 PolarHBondContact O-N 3.14Å
656W85.2Confident83.4Confident4 Ų450.5 Ų50.52%0.01523%0.234CC..Hα-helixtrans-64.3-45.3176.2-84.3117.7000112.1Y341 R344 V349 V351 I355 M652 S653 F658 A659 A660Y341-W656 AromaticContact CD1-CE3 3.97Å; Y341-W656 HydrophobicContact CD1-CE3 3.97Å; Y341-W656 HydrophobicContact CD1-CH2 4.31Å; Y341-W656 AromaticContact CD1-CZ3 3.42Å; Y341-W656 HydrophobicContact CD1-CZ3 3.42Å; Y341-W656 VanDerWaalsContact CD1-CZ3 3.42Å; Y341-W656 HydrophobicContact CE1-CH2 4.45Å; Y341-W656 AromaticContact CE1-CZ3 3.87Å; Y341-W656 HydrophobicContact CE1-CZ3 3.87Å; Y341-W656 HydrophobicContact CG-CZ3 4.32Å; R344-W656 HydrophobicContact CB-CD2 4.43Å; R344-W656 HydrophobicContact CB-CG 4.48Å; R344-W656 HydrophobicContact CG-CD2 4.45Å; V349-W656 HydrophobicContact CG1-CZ2 4.46Å; V349-W656 PolarHBondContact O-NE1 2.91Å; V351-W656 HydrophobicContact CG2-CD2 3.84Å; V351-W656 HydrophobicContact CG2-CE3 4.49Å; V351-W656 HydrophobicContact CG2-CG 3.9Å; V351-W656 HydrophobicContact CG2-CZ2 4.33Å; I355-W656 HydrophobicContact CD1-CH2 3.9Å; I355-W656 HydrophobicContact CD1-CZ3 3.83Å; M652-W656 PolarHBondContact O-N 2.96Å; M652-W656 VanDerWaalsContact O-N 3.1Å; S653-W656 PolarHBondContact O-N 3.41Å; W656-F658 VanDerWaalsContact C-N 3.33Å; W656-F658 PolarHBondContact O-N 3.32Å; W656-A659 PolarHBondContact O-N 2.97Å; W656-A660 WeakPolarHBondContact O-CB 3.25Å; W656-A660 PolarHBondContact O-N 2.93Å
657K86.3Confident84.1Confident70 Ų7047.6 Ų47.630%0.30422%0.219SC..Hα-helixtrans-64.2-36175.8-70.7166.9-176.3159.30112.4S653 R661S653-K657 WeakPolarHBondContact O-CB 3.37Å; S653-K657 WeakPolarHBondContact O-CD 3.42Å; S653-K657 WeakPolarHBondContact O-CG 3.34Å; S653-K657 PolarHBondContact O-N 3.01Å; S653-K657 PolarHBondContact OG-NZ 3.38Å; K657-R661 WeakPolarHBondContact O-CB 3.49Å; K657-R661 PolarHBondContact O-N 2.71Å; K657-R661 VanDerWaalsContact O-N 3.07Å
658F86.4Confident84.8Confident8 Ų846 Ų464%0.03521%0.212CC..Hα-helixtrans-66.6-49.4173.5-177.8-107.6000111.2N360 A364 M369 E370 P371 P372 L654 E655 W656 A660 R661 V662N360-F658 HydrophobicContact CB-CD1 4.2Å; N360-F658 HydrophobicContact CB-CE1 4.18Å; A364-F658 HydrophobicContact CB-CE1 3.86Å; A364-F658 HydrophobicContact CB-CZ 3.82Å; M369-F658 HydrophobicContact CB-CE2 4.1Å; M369-F658 HydrophobicContact CB-CZ 4.09Å; M369-F658 HydrophobicContact CE-CE2 4.37Å; E370-F658 WeakPolarHBondContact O-CE2 3.36Å; E370-F658 WeakPolarHBondContact O-CZ 3.36Å; P371-F658 HydrophobicContact CB-CE1 4.22Å; P371-F658 HydrophobicContact CB-CZ 4.29Å; P372-F658 HydrophobicContact CG-CB 4.47Å; L654-F658 WeakPolarHBondContact O-CB 3.4Å; L654-F658 PolarHBondContact O-N 2.88Å; E655-F658 PolarHBondContact O-N 2.91Å; W656-F658 VanDerWaalsContact C-N 3.33Å; W656-F658 PolarHBondContact O-N 3.32Å; F658-A660 VanDerWaalsContact C-N 3.33Å; F658-A660 PolarHBondContact O-N 2.88Å; F658-R661 PolarHBondContact O-N 3.46Å; F658-R661 VanDerWaalsContact O-N 3.08Å; F658-V662 HydrophobicContact CD1-CG2 4.11Å; F658-V662 HydrophobicContact CD2-CG2 4.33Å; F658-V662 HydrophobicContact CE1-CG2 3.75Å; F658-V662 HydrophobicContact CE2-CG2 3.96Å; F658-V662 HydrophobicContact CG-CG2 4.4Å; F658-V662 HydrophobicContact CZ-CG2 3.66Å; F658-V662 WeakPolarHBondContact O-CG2 3.39Å; F658-V662 PolarHBondContact O-N 3.32Å
659A87.3Confident85.4Confident1 Ų146.2 Ų46.21%0.00822%0.215CC..Hα-helixtrans-55.5-47.3176.700000111.7I355 V359 N360 E655 W656 R661 V662 I663I355-A659 HydrophobicContact CG2-CB 4.06Å; V359-A659 HydrophobicContact CG1-CB 4.08Å; N360-A659 WeakPolarHBondContact OD1-CA 3.47Å; N360-A659 VanDerWaalsContact OD1-CB 3.29Å; N360-A659 WeakPolarHBondContact OD1-CB 3.38Å; E655-A659 WeakPolarHBondContact O-CB 3.43Å; E655-A659 PolarHBondContact O-N 3.14Å; W656-A659 PolarHBondContact O-N 2.97Å; A659-R661 PolarHBondContact O-N 3.37Å; A659-V662 PolarHBondContact O-N 2.89Å; A659-I663 WeakPolarHBondContact O-CD1 3.42Å; A659-I663 VanDerWaalsContact O-CG1 3.3Å; A659-I663 WeakPolarHBondContact O-CG1 3.24Å; A659-I663 PolarHBondContact O-N 3.12Å
660A88.1Confident86.1Confident1 Ų146.8 Ų46.81%0.00822%0.218CC..Hα-helixtrans-57.9-44.8175.400000112.1V338 H342 W656 F658 I663 D664V338-A660 HydrophobicContact CG1-CB 4.45Å; H342-A660 HydrophobicContact CB-CB 3.96Å; W656-A660 WeakPolarHBondContact O-CB 3.25Å; W656-A660 PolarHBondContact O-N 2.93Å; F658-A660 VanDerWaalsContact C-N 3.33Å; F658-A660 PolarHBondContact O-N 2.88Å; A660-I663 PolarHBondContact O-N 3.23Å; A660-D664 WeakPolarHBondContact O-CB 3.47Å; A660-D664 PolarHBondContact O-N 3.35Å
661R87.4Confident86.7Confident118 Ų11841 Ų4145%0.44519%0.19SC..Hα-helixtrans-68.5-32.3179.7-160.2-171.4-58.7151.71.5113.3M369 K657 F658 A659 R665M369-R661 HydrophobicContact CE-CB 4.32Å; M369-R661 HydrophobicContact CE-CG 3.93Å; K657-R661 WeakPolarHBondContact O-CB 3.49Å; K657-R661 PolarHBondContact O-N 2.71Å; K657-R661 VanDerWaalsContact O-N 3.07Å; F658-R661 PolarHBondContact O-N 3.46Å; F658-R661 VanDerWaalsContact O-N 3.08Å; A659-R661 PolarHBondContact O-N 3.37Å; R661-R665 PolarHBondContact O-N 3.44Å
662V89.6Confident87.3Confident0 Ų040.8 Ų40.80%019%0.192CC..Hα-helixtrans-71.6-43.2173.4175.70000110.5V359 L363 A364 M369 F658 A659 R665 F666V359-V662 HydrophobicContact CG1-CB 3.92Å; V359-V662 HydrophobicContact CG1-CG1 3.89Å; L363-V662 HydrophobicContact CB-CG1 3.82Å; L363-V662 HydrophobicContact CD2-CG1 4.1Å; L363-V662 HydrophobicContact CG-CG1 3.99Å; A364-V662 HydrophobicContact CB-CG1 4.3Å; A364-V662 HydrophobicContact CB-CG2 4.06Å; M369-V662 HydrophobicContact CB-CG2 4.38Å; M369-V662 HydrophobicContact CE-CG2 4.15Å; M369-V662 HydrophobicContact SD-CB 4.31Å; M369-V662 HydrophobicContact SD-CG2 3.74Å; F658-V662 HydrophobicContact CD1-CG2 4.11Å; F658-V662 HydrophobicContact CD2-CG2 4.33Å; F658-V662 HydrophobicContact CE1-CG2 3.75Å; F658-V662 HydrophobicContact CE2-CG2 3.96Å; F658-V662 HydrophobicContact CG-CG2 4.4Å; F658-V662 HydrophobicContact CZ-CG2 3.66Å; F658-V662 WeakPolarHBondContact O-CG2 3.39Å; F658-V662 PolarHBondContact O-N 3.32Å; A659-V662 PolarHBondContact O-N 2.89Å; V662-R665 PolarHBondContact O-N 2.99Å; V662-F666 WeakPolarHBondContact O-CB 3.15Å; V662-F666 PolarHBondContact O-N 2.89Å
663I89Confident87.9Confident31 Ų3143.5 Ų43.516%0.15921%0.206CC..Hα-helixtrans-60.5-45.5173.6-67.8159.8000110.6V338 Y341 V359 A659 A660 R665 F666 C667V338-I663 HydrophobicContact CG2-CB 4.29Å; V338-I663 HydrophobicContact CG2-CG2 3.72Å; Y341-I663 HydrophobicContact CD2-CD1 4.15Å; Y341-I663 HydrophobicContact CE2-CD1 4.35Å; V359-I663 HydrophobicContact CG1-CD1 4.28Å; V359-I663 HydrophobicContact CG1-CG1 3.9Å; V359-I663 HydrophobicContact CG2-CD1 4.27Å; V359-I663 HydrophobicContact CG2-CG1 4.24Å; A659-I663 WeakPolarHBondContact O-CD1 3.42Å; A659-I663 VanDerWaalsContact O-CG1 3.3Å; A659-I663 WeakPolarHBondContact O-CG1 3.24Å; A659-I663 PolarHBondContact O-N 3.12Å; A660-I663 PolarHBondContact O-N 3.23Å; I663-R665 PolarHBondContact O-N 3.15Å; I663-F666 PolarHBondContact O-N 3.23Å; I663-F666 VanDerWaalsContact O-N 3.11Å; I663-C667 PolarHBondContact O-N 3.33Å; I663-C667 PolarHBondContact O-SG 3.46Å
664D90.9Very high88.4Confident7 Ų744.4 Ų44.44%0.03721%0.212CC..Hα-helixtrans-56.9-47.3179.8-162.230.2000111.9F276 K285 V338 A660 L668F276-D664 WeakPolarHBondContact CD1-OD1 3.33Å; K285-D664 WeakPolarHBondContact CE-OD1 3.29Å; K285-D664 IonicContact NZ-OD1 2.71Å; K285-D664 PolarHBondContact NZ-OD1 3.42Å; K285-D664 IonicContact NZ-OD2 3.67Å; K285-D664 PolarHBondContact NZ-OD2 3Å; V338-D664 HydrophobicContact CG1-CB 3.9Å; V338-D664 HydrophobicContact CG2-CB 4.23Å; A660-D664 WeakPolarHBondContact O-CB 3.47Å; A660-D664 PolarHBondContact O-N 3.35Å; D664-L668 PolarHBondContact O-N 3.31Å
665R89.2Confident88.7Confident123 Ų12341.4 Ų41.446%0.46420%0.197SC..Hα-helixtrans-70.2-32174.5-69.9-163.2177.9177.9-5.7113.7M367 M369 R661 V662 I663 L668 I669M367-R665 VanDerWaalsContact CE-C 3.42Å; M367-R665 HydrophobicContact CE-CB 3.59Å; M367-R665 WeakPolarHBondContact CE-O 3.47Å; M369-R665 HydrophobicContact SD-CB 4.47Å; M369-R665 HydrophobicContact SD-CG 4.31Å; R661-R665 PolarHBondContact O-N 3.44Å; V662-R665 PolarHBondContact O-N 2.99Å; I663-R665 PolarHBondContact O-N 3.15Å; R665-L668 VanDerWaalsContact O-CB 3.25Å; R665-L668 WeakPolarHBondContact O-CB 3.32Å; R665-L668 PolarHBondContact O-N 3.07Å; R665-I669 PolarHBondContact O-N 2.87Å; R665-I669 VanDerWaalsContact O-N 3.09Å
666F90.2Very high88.8Confident72 Ų7243 Ų4332%0.31621%0.207SC..Hα-helixtrans-67.5-43.8175.8176.2-115.9000111.2L363 M367 V662 I663 L668 I669 I670L363-F666 HydrophobicContact CD1-CB 4.4Å; L363-F666 HydrophobicContact CD1-CD1 4.12Å; L363-F666 HydrophobicContact CD1-CD2 3.52Å; L363-F666 HydrophobicContact CD1-CE1 4.21Å; L363-F666 HydrophobicContact CD1-CE2 3.63Å; L363-F666 HydrophobicContact CD1-CG 3.76Å; L363-F666 HydrophobicContact CD1-CZ 3.96Å; L363-F666 HydrophobicContact CD2-CB 3.84Å; L363-F666 HydrophobicContact CD2-CD1 3.85Å; L363-F666 HydrophobicContact CD2-CD2 4.41Å; L363-F666 HydrophobicContact CD2-CE1 4.48Å; L363-F666 HydrophobicContact CD2-CG 3.79Å; L363-F666 HydrophobicContact CG-CB 4.1Å; L363-F666 HydrophobicContact CG-CD1 4.45Å; L363-F666 HydrophobicContact CG-CD2 4.14Å; L363-F666 HydrophobicContact CG-CG 3.99Å; M367-F666 HydrophobicContact CG-CB 4.47Å; M367-F666 HydrophobicContact SD-CB 4.27Å; M367-F666 HydrophobicContact SD-CD2 4.24Å; V662-F666 WeakPolarHBondContact O-CB 3.15Å; V662-F666 PolarHBondContact O-N 2.89Å; I663-F666 PolarHBondContact O-N 3.23Å; I663-F666 VanDerWaalsContact O-N 3.11Å; F666-L668 VanDerWaalsContact C-N 3.31Å; F666-L668 PolarHBondContact O-N 2.7Å; F666-I669 PolarHBondContact O-N 3.39Å; F666-I670 HydrophobicContact CD1-CD1 4.02Å; F666-I670 HydrophobicContact CD2-CD1 4.49Å; F666-I670 HydrophobicContact CE1-CD1 3.54Å; F666-I670 HydrophobicContact CE2-CD1 4.05Å; F666-I670 HydrophobicContact CE2-CG1 4.47Å; F666-I670 HydrophobicContact CG-CD1 4.49Å; F666-I670 HydrophobicContact CZ-CD1 3.57Å; F666-I670 HydrophobicContact CZ-CG1 4.44Å; F666-I670 PolarHBondContact O-N 2.74Å; F666-I670 VanDerWaalsContact O-N 3.11Å
667C90.3Very high88.9Confident6 Ų648.2 Ų48.24%0.04123%0.233CC..Hα-helixtrans-55.5-46.6167.7-70.60000110.6F276 I663 I669 I670 F671F276-C667 HydrophobicContact CD1-CB 3.92Å; F276-C667 HydrophobicContact CE1-CB 3.52Å; F276-C667 HydrophobicContact CZ-CB 4.03Å; I663-C667 PolarHBondContact O-N 3.33Å; I663-C667 PolarHBondContact O-SG 3.46Å; C667-I669 VanDerWaalsContact C-N 3.33Å; C667-I669 PolarHBondContact O-N 3.4Å; C667-I670 PolarHBondContact O-N 2.98Å; C667-I670 VanDerWaalsContact O-N 3.14Å; C667-F671 HydrophobicContact CB-CD2 4.12Å; C667-F671 HydrophobicContact CB-CE2 4.28Å; C667-F671 WeakPolarHBondContact O-CB 3.31Å; C667-F671 VanDerWaalsContact O-CD2 3.23Å; C667-F671 WeakPolarHBondContact O-CD2 3.5Å; C667-F671 PolarHBondContact O-N 2.97Å
668L91.3Very high88.9Confident24 Ų2446.6 Ų46.613%0.12623%0.229CC..Hα-helixtrans-50.7-49.6176.3-162.3158.4000112.5F276 M277 D664 R665 F666 S672F276-L668 HydrophobicContact CB-CB 3.65Å; F276-L668 HydrophobicContact CB-CD1 3.7Å; F276-L668 HydrophobicContact CB-CG 3.65Å; F276-L668 HydrophobicContact CG-CB 4.24Å; M277-L668 HydrophobicContact CE-CD1 3.72Å; M277-L668 HydrophobicContact CE-CD2 4.13Å; M277-L668 HydrophobicContact CG-CD1 3.92Å; M277-L668 HydrophobicContact SD-CD1 3.57Å; M277-L668 VanDerWaalsContact SD-CD1 3.57Å; D664-L668 PolarHBondContact O-N 3.31Å; R665-L668 VanDerWaalsContact O-CB 3.25Å; R665-L668 WeakPolarHBondContact O-CB 3.32Å; R665-L668 PolarHBondContact O-N 3.07Å; F666-L668 VanDerWaalsContact C-N 3.31Å; F666-L668 PolarHBondContact O-N 2.7Å; L668-S672 WeakPolarHBondContact O-CB 3.16Å; L668-S672 PolarHBondContact O-N 2.74Å
669I89.6Confident88.7Confident81 Ų8147.8 Ų47.842%0.41524%0.237SC..Hα-helixtrans-64.9-44.2179.4-70.5-172.3000111.5M367 R665 F666 C667 S672 L673M367-I669 HydrophobicContact CE-CD1 3.42Å; M367-I669 VanDerWaalsContact CE-CD1 3.42Å; M367-I669 HydrophobicContact CE-CG1 3.88Å; M367-I669 HydrophobicContact SD-CD1 3.84Å; R665-I669 PolarHBondContact O-N 2.87Å; R665-I669 VanDerWaalsContact O-N 3.09Å; F666-I669 PolarHBondContact O-N 3.39Å; C667-I669 VanDerWaalsContact C-N 3.33Å; C667-I669 PolarHBondContact O-N 3.4Å; I669-S672 PolarHBondContact O-N 2.71Å; I669-L673 HydrophobicContact CG2-CD1 3.81Å; I669-L673 HydrophobicContact CG2-CG 4.3Å; I669-L673 WeakPolarHBondContact O-CB 3.49Å; I669-L673 VanDerWaalsContact O-CG 3.3Å; I669-L673 WeakPolarHBondContact O-CG 3.24Å; I669-L673 PolarHBondContact O-N 2.8Å
670I90.7Very high88.5Confident71 Ų7154.1 Ų54.136%0.36427%0.265SS..Hα-helixtrans-60.2-53.3177.2-67.7172.4000110.8F666 C667 S672 L673 C674F666-I670 HydrophobicContact CD1-CD1 4.02Å; F666-I670 HydrophobicContact CD2-CD1 4.49Å; F666-I670 HydrophobicContact CE1-CD1 3.54Å; F666-I670 HydrophobicContact CE2-CD1 4.05Å; F666-I670 HydrophobicContact CE2-CG1 4.47Å; F666-I670 HydrophobicContact CG-CD1 4.49Å; F666-I670 HydrophobicContact CZ-CD1 3.57Å; F666-I670 HydrophobicContact CZ-CG1 4.44Å; F666-I670 PolarHBondContact O-N 2.74Å; F666-I670 VanDerWaalsContact O-N 3.11Å; C667-I670 PolarHBondContact O-N 2.98Å; C667-I670 VanDerWaalsContact O-N 3.14Å; I670-S672 VanDerWaalsContact C-N 3.31Å; I670-S672 PolarHBondContact O-N 3.19Å; I670-L673 PolarHBondContact O-N 2.78Å; I670-C674 WeakPolarHBondContact O-CB 3.47Å; I670-C674 PolarHBondContact O-N 3.04Å; I670-C674 PolarHBondContact O-SG 3.48Å; I670-C674 VanDerWaalsContact O-SG 3.32Å
671F90.7Very high88.1Confident9 Ų956.3 Ų56.34%0.03928%0.283CS..Hα-helixtrans-65.4-34.1-179.1-77.2-75.7000112L273 F276 M327 L330 F334 C667 N675L273-F671 HydrophobicContact CD2-CB 4.32Å; F276-F671 HydrophobicContact CD2-CB 4.27Å; F276-F671 HydrophobicContact CD2-CD2 4.4Å; F276-F671 HydrophobicContact CE1-CD2 4.24Å; F276-F671 HydrophobicContact CE1-CE2 4.48Å; F276-F671 HydrophobicContact CE2-CB 3.7Å; F276-F671 HydrophobicContact CE2-CD1 4.43Å; F276-F671 AromaticContact CE2-CD2 3.34Å; F276-F671 HydrophobicContact CE2-CD2 3.34Å; F276-F671 HydrophobicContact CE2-CE2 4.11Å; F276-F671 AromaticContact CE2-CG 3.56Å; F276-F671 HydrophobicContact CE2-CG 3.56Å; F276-F671 HydrophobicContact CZ-CB 4.49Å; F276-F671 AromaticContact CZ-CD2 3.24Å; F276-F671 HydrophobicContact CZ-CD2 3.24Å; F276-F671 AromaticContact CZ-CE2 3.57Å; F276-F671 HydrophobicContact CZ-CE2 3.57Å; F276-F671 AromaticContact CZ-CG 3.94Å; F276-F671 HydrophobicContact CZ-CG 3.94Å; F276-F671 HydrophobicContact CZ-CZ 4.46Å; M327-F671 HydrophobicContact CB-CD1 4.35Å; M327-F671 HydrophobicContact CB-CE1 4.35Å; M327-F671 HydrophobicContact CE-CD1 3.52Å; M327-F671 HydrophobicContact CE-CE1 3.61Å; M327-F671 WeakPolarHBondContact O-CE1 3.41Å; L330-F671 HydrophobicContact CB-CE1 4.04Å; L330-F671 HydrophobicContact CB-CZ 3.86Å; F334-F671 AromaticContact CD2-CE2 3.71Å; F334-F671 HydrophobicContact CD2-CE2 3.71Å; F334-F671 AromaticContact CD2-CZ 3.71Å; F334-F671 HydrophobicContact CD2-CZ 3.71Å; F334-F671 HydrophobicContact CE2-CE2 4.3Å; F334-F671 HydrophobicContact CE2-CZ 4.13Å; F334-F671 HydrophobicContact CG-CE2 4.4Å; C667-F671 HydrophobicContact CB-CD2 4.12Å; C667-F671 HydrophobicContact CB-CE2 4.28Å; C667-F671 WeakPolarHBondContact O-CB 3.31Å; C667-F671 VanDerWaalsContact O-CD2 3.23Å; C667-F671 WeakPolarHBondContact O-CD2 3.5Å; C667-F671 PolarHBondContact O-N 2.97Å; F671-N675 WeakPolarHBondContact O-CB 3.44Å; F671-N675 PolarHBondContact O-N 3.17Å; F671-N675 PolarHBondContact O-ND2 3.02Å
672S89.7Confident87.5Confident29 Ų2952.5 Ų52.520%0.20327%0.271CS..Hα-helixtrans-64.6-50.7173.5-175.80000111.7L668 I669 I670 C674 N675 I676L668-S672 WeakPolarHBondContact O-CB 3.16Å; L668-S672 PolarHBondContact O-N 2.74Å; I669-S672 PolarHBondContact O-N 2.71Å; I670-S672 VanDerWaalsContact C-N 3.31Å; I670-S672 PolarHBondContact O-N 3.19Å; S672-C674 VanDerWaalsContact C-N 3.35Å; S672-C674 PolarHBondContact O-N 3.18Å; S672-N675 PolarHBondContact O-N 2.8Å; S672-I676 WeakPolarHBondContact O-CB 3.5Å; S672-I676 VanDerWaalsContact O-CG1 3.26Å; S672-I676 WeakPolarHBondContact O-CG1 3.47Å; S672-I676 PolarHBondContact O-N 3.42Å
673L90.3Very high86.8Confident97 Ų9756.7 Ų56.751%0.50829%0.293SS..Hα-helixtrans-59.2-44.6176.5-71.3172.1000111.6I669 I670 I676 I677I669-L673 HydrophobicContact CG2-CD1 3.81Å; I669-L673 HydrophobicContact CG2-CG 4.3Å; I669-L673 WeakPolarHBondContact O-CB 3.49Å; I669-L673 VanDerWaalsContact O-CG 3.3Å; I669-L673 WeakPolarHBondContact O-CG 3.24Å; I669-L673 PolarHBondContact O-N 2.8Å; I670-L673 PolarHBondContact O-N 2.78Å; L673-I676 PolarHBondContact O-N 3.49Å; L673-I677 WeakPolarHBondContact O-CB 3.35Å; L673-I677 WeakPolarHBondContact O-CD1 3.14Å; L673-I677 WeakPolarHBondContact O-CG1 3.43Å; L673-I677 PolarHBondContact O-N 3.44Å
674C89.6Confident86.1Confident41 Ų4159.2 Ų59.228%0.27731%0.312SS..Hα-helixtrans-63.7-42.8176.4-68.30000112.7M327 I670 S672 I677 V678M327-C674 HydrophobicContact CE-CB 3.39Å; I670-C674 WeakPolarHBondContact O-CB 3.47Å; I670-C674 PolarHBondContact O-N 3.04Å; I670-C674 PolarHBondContact O-SG 3.48Å; I670-C674 VanDerWaalsContact O-SG 3.32Å; S672-C674 VanDerWaalsContact C-N 3.35Å; S672-C674 PolarHBondContact O-N 3.18Å; C674-I677 PolarHBondContact O-N 3.36Å; C674-V678 WeakPolarHBondContact O-CB 3.37Å; C674-V678 VanDerWaalsContact O-CG2 3.29Å; C674-V678 WeakPolarHBondContact O-CG2 3.45Å; C674-V678 PolarHBondContact O-N 2.82Å
675N86.8Confident84.9Confident12 Ų1261.1 Ų61.16%0.06433%0.326CS..Hα-helixtrans-65-39.5176-84.4-80.9000112L273 F671 S672 T679L273-N675 HydrophobicContact CD2-CB 4.33Å; F671-N675 WeakPolarHBondContact O-CB 3.44Å; F671-N675 PolarHBondContact O-N 3.17Å; F671-N675 PolarHBondContact O-ND2 3.02Å; S672-N675 PolarHBondContact O-N 2.8Å; N675-T679 VanDerWaalsContact O-CB 3.25Å; N675-T679 WeakPolarHBondContact O-CB 3.45Å; N675-T679 PolarHBondContact O-N 3.29Å; N675-T679 PolarHBondContact O-OG1 3.46Å
676I86.6Confident83.8Confident99 Ų9955.8 Ų55.851%0.50831%0.308SS..Hα-helixtrans-63.4-46.6174.9-68.8164.7000110.6S672 L673 T679 F680S672-I676 WeakPolarHBondContact O-CB 3.5Å; S672-I676 VanDerWaalsContact O-CG1 3.26Å; S672-I676 WeakPolarHBondContact O-CG1 3.47Å; S672-I676 PolarHBondContact O-N 3.42Å; L673-I676 PolarHBondContact O-N 3.49Å; I676-T679 PolarHBondContact O-N 2.93Å; I676-F680 VanDerWaalsContact O-CB 3.24Å; I676-F680 WeakPolarHBondContact O-CB 3.37Å; I676-F680 PolarHBondContact O-N 2.91Å
677I87.6Confident82.4Confident112 Ų11256.7 Ų56.757%0.57432%0.321SS*.Hα-helixtrans-61.8-45.9178.5-70.5163.1000111.1L673 C674 F680 A681L673-I677 WeakPolarHBondContact O-CB 3.35Å; L673-I677 WeakPolarHBondContact O-CD1 3.14Å; L673-I677 WeakPolarHBondContact O-CG1 3.43Å; L673-I677 PolarHBondContact O-N 3.44Å; C674-I677 PolarHBondContact O-N 3.36Å; I677-F680 PolarHBondContact O-N 3.48Å; I677-A681 VanDerWaalsContact O-CB 3.3Å; I677-A681 WeakPolarHBondContact O-CB 3.28Å; I677-A681 PolarHBondContact O-N 2.9Å
678V84.9Confident81Confident37 Ų3759 Ų5922%0.22433%0.333CS..Hα-helixtrans-63.2-46.9177.4169.30000110.9Y320 C674 F680 A681 I682Y320-V678 HydrophobicContact CD2-CG1 3.62Å; Y320-V678 HydrophobicContact CE2-CG1 3.9Å; C674-V678 WeakPolarHBondContact O-CB 3.37Å; C674-V678 VanDerWaalsContact O-CG2 3.29Å; C674-V678 WeakPolarHBondContact O-CG2 3.45Å; C674-V678 PolarHBondContact O-N 2.82Å; V678-F680 PolarHBondContact O-N 2.96Å; V678-A681 PolarHBondContact O-N 3.48Å; V678-I682 HydrophobicContact CG1-CD1 3.94Å; V678-I682 WeakPolarHBondContact O-CD1 3.39Å; V678-I682 VanDerWaalsContact O-CG1 3.32Å; V678-I682 WeakPolarHBondContact O-CG1 3.41Å; V678-I682 PolarHBondContact O-N 2.97Å; V678-I682 VanDerWaalsContact O-N 3.16Å
679T82.9Confident79.6Confident32 Ų3259.7 Ų59.720%0.19634%0.337CS..Hα-helixtrans-61.2-45.2178.7-57.10000111.7L266 N675 I676 I682 L683L266-T679 HydrophobicContact CD2-CG2 3.7Å; N675-T679 VanDerWaalsContact O-CB 3.25Å; N675-T679 WeakPolarHBondContact O-CB 3.45Å; N675-T679 PolarHBondContact O-N 3.29Å; N675-T679 PolarHBondContact O-OG1 3.46Å; I676-T679 PolarHBondContact O-N 2.93Å; T679-I682 PolarHBondContact O-N 3.01Å; T679-L683 HydrophobicContact CG2-CD1 4.2Å; T679-L683 WeakPolarHBondContact O-CG 3.4Å; T679-L683 PolarHBondContact O-N 3.41Å; T679-L683 VanDerWaalsContact O-N 3.16Å
680F83Confident78.1Confident134 Ų13461.8 Ų61.859%0.58835%0.348SS*.Hα-helixtrans-65.9-40.8178-174.9-100000112I676 I677 V678 I682 L683 C684I676-F680 VanDerWaalsContact O-CB 3.24Å; I676-F680 WeakPolarHBondContact O-CB 3.37Å; I676-F680 PolarHBondContact O-N 2.91Å; I677-F680 PolarHBondContact O-N 3.48Å; V678-F680 PolarHBondContact O-N 2.96Å; F680-I682 VanDerWaalsContact C-N 3.31Å; F680-I682 PolarHBondContact O-N 3.17Å; F680-L683 PolarHBondContact O-N 3.42Å; F680-C684 VanDerWaalsContact CE1-SG 3.52Å; F680-C684 WeakPolarHBondContact CZ-SG 3.36Å; F680-C684 WeakPolarHBondContact O-CB 3.35Å; F680-C684 PolarHBondContact O-N 3.35Å
681A79.8Confident76.5Confident47 Ų4761 Ų6139%0.38835%0.352SS..Hα-helixtrans-56.6-45175.400000111.5I677 V678 C684 S685I677-A681 VanDerWaalsContact O-CB 3.3Å; I677-A681 WeakPolarHBondContact O-CB 3.28Å; I677-A681 PolarHBondContact O-N 2.9Å; V678-A681 PolarHBondContact O-N 3.48Å; A681-C684 PolarHBondContact O-N 3.21Å; A681-S685 VanDerWaalsContact O-CB 3.24Å; A681-S685 WeakPolarHBondContact O-CB 3.3Å; A681-S685 PolarHBondContact O-N 2.96Å; A681-S685 PolarHBondContact O-OG 3.27Å; A681-S685 VanDerWaalsContact O-OG 3.04Å
682I75.1Confident74.9Confident38 Ų3863 Ų6320%0.19537%0.367CS..Hα-helixtrans-65-44.8179.2-61.8149.4000111.7Y320 V678 T679 F680 C684 S685 A686Y320-I682 HydrophobicContact CD1-CD1 3.66Å; Y320-I682 HydrophobicContact CD2-CD1 3.21Å; Y320-I682 HydrophobicContact CE1-CD1 4.08Å; Y320-I682 HydrophobicContact CE2-CD1 3.68Å; Y320-I682 HydrophobicContact CG-CD1 3.2Å; Y320-I682 HydrophobicContact CG-CG1 4.28Å; V678-I682 HydrophobicContact CG1-CD1 3.94Å; V678-I682 WeakPolarHBondContact O-CD1 3.39Å; V678-I682 VanDerWaalsContact O-CG1 3.32Å; V678-I682 WeakPolarHBondContact O-CG1 3.41Å; V678-I682 PolarHBondContact O-N 2.97Å; V678-I682 VanDerWaalsContact O-N 3.16Å; T679-I682 PolarHBondContact O-N 3.01Å; F680-I682 VanDerWaalsContact C-N 3.31Å; F680-I682 PolarHBondContact O-N 3.17Å; I682-C684 VanDerWaalsContact C-N 3.31Å; I682-C684 PolarHBondContact O-N 3.31Å; I682-S685 PolarHBondContact O-N 2.92Å; I682-A686 PolarHBondContact O-N 2.86Å
683L74.6Confident73.4Confident89 Ų8967.4 Ų67.447%0.46638%0.383SS..Hα-helixtrans-63.8-35.8178.4-69.6171.3000112.2T679 F680 L689T679-L683 HydrophobicContact CG2-CD1 4.2Å; T679-L683 WeakPolarHBondContact O-CG 3.4Å; T679-L683 PolarHBondContact O-N 3.41Å; T679-L683 VanDerWaalsContact O-N 3.16Å; F680-L683 PolarHBondContact O-N 3.42Å; L683-L689 HydrophobicContact CD2-CD1 4.08Å
684C73.2Confident71.5Confident83 Ų8369.4 Ų69.456%0.56139%0.391SS*.Hα-helixtrans-79-27.7173.4-71.90000113.6F680 A681 I682F680-C684 VanDerWaalsContact CE1-SG 3.52Å; F680-C684 WeakPolarHBondContact CZ-SG 3.36Å; F680-C684 WeakPolarHBondContact O-CB 3.35Å; F680-C684 PolarHBondContact O-N 3.35Å; A681-C684 PolarHBondContact O-N 3.21Å; I682-C684 VanDerWaalsContact C-N 3.31Å; I682-C684 PolarHBondContact O-N 3.31Å
685S67.4Low69.4Low48 Ų4877 Ų7734%0.33644%0.44SS..Hα-helixtrans-70.2-30.3179.9-81.60000112.9W167 A681 I682 P687W167-S685 WeakPolarHBondContact CH2-O 3.49Å; W167-S685 WeakPolarHBondContact CZ3-O 3.39Å; A681-S685 VanDerWaalsContact O-CB 3.24Å; A681-S685 WeakPolarHBondContact O-CB 3.3Å; A681-S685 PolarHBondContact O-N 2.96Å; A681-S685 PolarHBondContact O-OG 3.27Å; A681-S685 VanDerWaalsContact O-OG 3.04Å; I682-S685 PolarHBondContact O-N 2.92Å; S685-P687 WeakPolarHBondContact O-CD 3.37Å
686A65.6Low68.6Low10 Ų1080.3 Ų80.38%0.08346%0.459CS..  trans-87.794.4-176.700000112.4F170 I682 N688 L689F170-A686 HydrophobicContact CD2-CB 4.05Å; F170-A686 HydrophobicContact CE2-CB 4.23Å; I682-A686 PolarHBondContact O-N 2.86Å; A686-N688 PolarHBondContact O-N 2.99Å; A686-L689 HydrophobicContact CB-CB 3.93Å; A686-L689 HydrophobicContact CB-CD1 4.22Å; A686-L689 WeakPolarHBondContact O-CB 3.34Å; A686-L689 PolarHBondContact O-N 3.12Å; A686-L689 VanDerWaalsContact O-N 3.17Å
687P61.1Low67.6Low91 Ų9179.3 Ų79.359%0.59146%0.456SS*.THydrogen-bonded Turntrans-63.7-34.3-175.828.5-37.3000112.1S685 L689S685-P687 WeakPolarHBondContact O-CD 3.37Å; P687-L689 VanDerWaalsContact C-N 3.26Å; P687-L689 PolarHBondContact O-N 3.41Å
688N61Low66.5Low54 Ų5477.4 Ų77.429%0.28945%0.449SS..Hα-helixtrans-79.6-3.3-177.1-68.5-15.1000113.2F170 A686 I690 A691 S692F170-N688 HydrophobicContact CB-CB 4.03Å; F170-N688 PolarHBondContact O-ND2 3.18Å; A686-N688 PolarHBondContact O-N 2.99Å; N688-I690 PolarHBondContact O-N 3.5Å; N688-A691 PolarHBondContact O-N 3.38Å; N688-S692 WeakPolarHBondContact O-CB 3.46Å; N688-S692 PolarHBondContact O-N 2.96Å; N688-S692 PolarHBondContact O-OG 2.91Å
689L61.7Low65.4Low40 Ų4079.8 Ų79.821%0.20946%0.463CS..Hα-helixtrans-61.7-45.8-175.6-169.8149.5000111.2F170 L683 A686 P687 S692 F693F170-L689 HydrophobicContact CE1-CB 4.33Å; F170-L689 HydrophobicContact CE1-CG 4.23Å; F170-L689 HydrophobicContact CE2-CD1 4.31Å; F170-L689 HydrophobicContact CZ-CB 4.36Å; F170-L689 HydrophobicContact CZ-CD1 3.93Å; F170-L689 HydrophobicContact CZ-CG 4.01Å; L683-L689 HydrophobicContact CD2-CD1 4.08Å; A686-L689 HydrophobicContact CB-CB 3.93Å; A686-L689 HydrophobicContact CB-CD1 4.22Å; A686-L689 WeakPolarHBondContact O-CB 3.34Å; A686-L689 PolarHBondContact O-N 3.12Å; A686-L689 VanDerWaalsContact O-N 3.17Å; P687-L689 VanDerWaalsContact C-N 3.26Å; P687-L689 PolarHBondContact O-N 3.41Å; L689-S692 PolarHBondContact O-N 2.91Å; L689-S692 PolarHBondContact O-OG 3.15Å; L689-F693 HydrophobicContact CD2-CD2 4.24Å; L689-F693 HydrophobicContact CD2-CE2 3.84Å; L689-F693 HydrophobicContact CG-CE2 4.32Å; L689-F693 WeakPolarHBondContact O-CD2 3.34Å
690I57.4Low64.3Low124 Ų12482.8 Ų82.864%0.63648%0.479SS*.Hα-helixtrans-66.2-42.5175.1-61.6174.9000111.2N688 S692 F693 M694N688-I690 PolarHBondContact O-N 3.5Å; I690-S692 VanDerWaalsContact C-N 3.29Å; I690-S692 PolarHBondContact O-N 3.31Å; I690-F693 PolarHBondContact O-N 2.91Å; I690-M694 HydrophobicContact CG2-CE 4.37Å
691A58.1Low63.1Low56 Ų5679.4 Ų79.446%0.46347%0.472SS..Hα-helixtrans-61.2-38178.700000112N688 F693 M694N688-A691 PolarHBondContact O-N 3.38Å; A691-F693 PolarHBondContact O-N 2.58Å; A691-M694 PolarHBondContact O-N 3.05Å
692S56.9Low61.9Low49 Ų4981.7 Ų81.734%0.34348%0.478SS..THydrogen-bonded Turntrans-68.5-11.7179.4750000114.9F170 N688 L689 I690F170-S692 WeakPolarHBondContact CE1-OG 3.34Å; N688-S692 WeakPolarHBondContact O-CB 3.46Å; N688-S692 PolarHBondContact O-N 2.96Å; N688-S692 PolarHBondContact O-OG 2.91Å; L689-S692 PolarHBondContact O-N 2.91Å; L689-S692 PolarHBondContact O-OG 3.15Å; I690-S692 VanDerWaalsContact C-N 3.29Å; I690-S692 PolarHBondContact O-N 3.31Å
693F58.4Low60.9Low123 Ų12385.1 Ų85.154%0.53950%0.5SS..THydrogen-bonded Turntrans-100.3-0.6172.6-70.6-64.2000113.6V258 L689 I690 A691V258-F693 HydrophobicContact CG1-CZ 4.3Å; L689-F693 HydrophobicContact CD2-CD2 4.24Å; L689-F693 HydrophobicContact CD2-CE2 3.84Å; L689-F693 HydrophobicContact CG-CE2 4.32Å; L689-F693 WeakPolarHBondContact O-CD2 3.34Å; I690-F693 PolarHBondContact O-N 2.91Å; A691-F693 PolarHBondContact O-N 2.58Å
694M50.2Low59.7Low139 Ų13984.8 Ų84.869%0.68550%0.503SS*.  trans-94.2138169.3-65.1-168.717600110I690 A691I690-M694 HydrophobicContact CG2-CE 4.37Å; A691-M694 PolarHBondContact O-N 3.05Å
695P45.6Very low58.5Low200 Ų20084.9 Ų84.9100%1.29950%0.497SS*.  trans-84.10-172.534.7-37000114.8

Retrieved 695 of 695 residues in 758.3 ms (Link to these results)

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