A0A3Q0KDL6_SCHMA Loading...

Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase

Initiates complex N-linked carbohydrate formation. Essential for the conversion of high-mannose to hybrid and complex N-glycans.

AlphaFold DB , UniProt , Accession A0A3Q0KDL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 417 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
1M74.1Confident85.7Confident195 Ų195108.4 Ų108.496%0.96160%0.599SS**  0-50.60-158.7-177.6-68.400111.6E3 L4 I5M1-E3 PolarHBondContact O-N 3.29Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-I5 HydrophobicContact CG-CD1 4.16Å; M1-I5 WeakPolarHBondContact O-CG1 3.29Å; M1-I5 PolarHBondContact O-N 2.9Å; M1-I5 VanDerWaalsContact O-N 3.13Å
2V81.6Confident86Confident123 Ų123109.3 Ų109.375%0.74559%0.588SS**Hα-helixtrans-57.7-45.3177.6-177.50000113L4 I5 A6V2-L4 PolarHBondContact O-N 3.29Å; V2-I5 PolarHBondContact O-N 3.42Å; V2-A6 WeakPolarHBondContact O-CB 3.43Å; V2-A6 PolarHBondContact O-N 3.13Å
3E81.8Confident86.3Confident165 Ų165109 Ų10977%0.77159%0.585SS**Hα-helixtrans-63.2-36.9178.3-70179.9165.100113.8M1 T7M1-E3 PolarHBondContact O-N 3.29Å; E3-T7 WeakPolarHBondContact O-CB 3.43Å; E3-T7 PolarHBondContact O-N 2.95Å; E3-T7 PolarHBondContact O-OG1 2.94Å
4L86.2Confident86.4Confident127 Ų127108.4 Ų108.467%0.66559%0.587SS**Hα-helixtrans-67.2-44.4176.8-167.377.3000110.4M1 V2 T7 V8M1-L4 PolarHBondContact O-N 3.45Å; V2-L4 PolarHBondContact O-N 3.29Å; L4-T7 PolarHBondContact O-N 2.99Å; L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.43Å; L4-V8 PolarHBondContact O-N 3.38Å
5I87.8Confident86.5Confident95 Ų95110.9 Ų110.949%0.48759%0.59SS.*Hα-helixtrans-62.5-44.3177-67.3168.1000110.5M1 V2 V8 L9M1-I5 HydrophobicContact CG-CD1 4.16Å; M1-I5 WeakPolarHBondContact O-CG1 3.29Å; M1-I5 PolarHBondContact O-N 2.9Å; M1-I5 VanDerWaalsContact O-N 3.13Å; V2-I5 PolarHBondContact O-N 3.42Å; I5-V8 PolarHBondContact O-N 2.77Å; I5-L9 HydrophobicContact CG2-CD1 3.91Å; I5-L9 WeakPolarHBondContact O-CB 3.3Å; I5-L9 PolarHBondContact O-N 2.95Å
6A86.6Confident86.4Confident50 Ų50113.9 Ų113.941%0.41359%0.591SS.*Hα-helixtrans-61.8-44.7177.400000112V2 L9 C10V2-A6 WeakPolarHBondContact O-CB 3.43Å; V2-A6 PolarHBondContact O-N 3.13Å; A6-L9 PolarHBondContact O-N 2.89Å; A6-C10 WeakPolarHBondContact O-CB 3.4Å; A6-C10 PolarHBondContact O-N 3.35Å
7T88.1Confident86.4Confident82 Ų82115.4 Ų115.450%0.50359%0.592SS.*Hα-helixtrans-61.8-45.2177.1-55.40000111.5E3 L4 L9 C10 I11E3-T7 WeakPolarHBondContact O-CB 3.43Å; E3-T7 PolarHBondContact O-N 2.95Å; E3-T7 PolarHBondContact O-OG1 2.94Å; L4-T7 PolarHBondContact O-N 2.99Å; T7-L9 PolarHBondContact O-N 3.33Å; T7-C10 PolarHBondContact O-N 3.39Å; T7-I11 HydrophobicContact CG2-CD1 3.97Å; T7-I11 VanDerWaalsContact O-CG1 3.3Å; T7-I11 WeakPolarHBondContact O-CG1 3.48Å; T7-I11 PolarHBondContact O-N 3.49Å
8V89.3Confident86.2Confident90 Ų90111.8 Ų111.855%0.54558%0.583SS.*Hα-helixtrans-63.8-41.3177.8172.40000111.6L4 I5 I11 Y12L4-V8 VanDerWaalsContact O-CG2 3.29Å; L4-V8 WeakPolarHBondContact O-CG2 3.43Å; L4-V8 PolarHBondContact O-N 3.38Å; I5-V8 PolarHBondContact O-N 2.77Å; V8-I11 PolarHBondContact O-N 3.43Å; V8-Y12 WeakPolarHBondContact O-CB 3.41Å; V8-Y12 PolarHBondContact O-N 2.96Å
9L90Very high86Confident96 Ų96109 Ų10950%0.50358%0.577SS.*Hα-helixtrans-63.1-44.1174.4-95.7154.2000112.3I5 A6 T7 Y12 L13I5-L9 HydrophobicContact CG2-CD1 3.91Å; I5-L9 WeakPolarHBondContact O-CB 3.3Å; I5-L9 PolarHBondContact O-N 2.95Å; A6-L9 PolarHBondContact O-N 2.89Å; T7-L9 PolarHBondContact O-N 3.33Å; L9-Y12 PolarHBondContact O-N 2.95Å; L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.28Å
10C88.2Confident85.9Confident80 Ų80110 Ų11054%0.54158%0.577SS.*Hα-helixtrans-59.6-47.6175.2-93.30000111.5A6 T7 Y12 L13 V14A6-C10 WeakPolarHBondContact O-CB 3.4Å; A6-C10 PolarHBondContact O-N 3.35Å; T7-C10 PolarHBondContact O-N 3.39Å; C10-Y12 VanDerWaalsContact C-N 3.34Å; C10-Y12 PolarHBondContact O-N 3.45Å; C10-L13 PolarHBondContact O-N 2.9Å; C10-V14 VanDerWaalsContact O-CG2 3.32Å; C10-V14 WeakPolarHBondContact O-CG2 3.48Å; C10-V14 PolarHBondContact O-N 3.32Å
11I88.9Confident85.8Confident89 Ų89112.2 Ų112.246%0.45658%0.579SS.*Hα-helixtrans-59-46.9177-69.1167.6000110.2T7 V8 L13 V14 F15T7-I11 HydrophobicContact CG2-CD1 3.97Å; T7-I11 VanDerWaalsContact O-CG1 3.3Å; T7-I11 WeakPolarHBondContact O-CG1 3.48Å; T7-I11 PolarHBondContact O-N 3.49Å; V8-I11 PolarHBondContact O-N 3.43Å; I11-L13 PolarHBondContact O-N 3.44Å; I11-V14 PolarHBondContact O-N 2.97Å; I11-F15 HydrophobicContact CG2-CD2 3.61Å; I11-F15 HydrophobicContact CG2-CE2 3.56Å; I11-F15 VanDerWaalsContact O-CD2 3.24Å; I11-F15 WeakPolarHBondContact O-CD2 3.35Å; I11-F15 PolarHBondContact O-N 3.35Å
12Y90Very high86.3Confident120 Ų120109.5 Ų109.547%0.47156%0.564SS.*Hα-helixtrans-59.5-43.7177.6177.9-96.5000112.9V8 L9 C10 F15 R16V8-Y12 WeakPolarHBondContact O-CB 3.41Å; V8-Y12 PolarHBondContact O-N 2.96Å; L9-Y12 PolarHBondContact O-N 2.95Å; C10-Y12 VanDerWaalsContact C-N 3.34Å; C10-Y12 PolarHBondContact O-N 3.45Å; Y12-F15 PolarHBondContact O-N 2.91Å; Y12-R16 HydrophobicContact CD1-CG 4.18Å; Y12-R16 HydrophobicContact CE1-CG 3.73Å; Y12-R16 HydrophobicContact CE2-CG 4.31Å; Y12-R16 WeakPolarHBondContact O-CB 3.43Å; Y12-R16 WeakPolarHBondContact O-CG 3.47Å; Y12-R16 PolarHBondContact O-N 3.06Å; Y12-R16 VanDerWaalsContact OH-CZ 3.27Å; Y12-R16 PolarHBondContact OH-NE 3.3Å; Y12-R16 PolarHBondContact OH-NH2 2.87Å
13L89.9Confident86.5Confident105 Ų105107.3 Ų107.355%0.5555%0.553SS.*Hα-helixtrans-65-41.2177.6-73.9170.8000112L9 C10 I11 R16 F17L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.33Å; L9-L13 PolarHBondContact O-N 3.28Å; C10-L13 PolarHBondContact O-N 2.9Å; I11-L13 PolarHBondContact O-N 3.44Å; L13-R16 PolarHBondContact O-N 2.97Å; L13-F17 WeakPolarHBondContact O-CB 3.24Å; L13-F17 PolarHBondContact O-N 3.39Å
14V87.3Confident86.7Confident100 Ų100103.9 Ų103.961%0.60654%0.538SS*.Hα-helixtrans-62-45.3175.2171.50000110.7C10 I11 F17 A18C10-V14 VanDerWaalsContact O-CG2 3.32Å; C10-V14 WeakPolarHBondContact O-CG2 3.48Å; C10-V14 PolarHBondContact O-N 3.32Å; I11-V14 PolarHBondContact O-N 2.97Å; V14-F17 PolarHBondContact O-N 3.33Å; V14-A18 WeakPolarHBondContact O-CB 3.36Å; V14-A18 PolarHBondContact O-N 2.87Å
15F87.5Confident86.6Confident146 Ų146100.5 Ų100.564%0.6453%0.525SS*.Hα-helixtrans-63.1-42.5175.9-86.3-70.2000112.6I11 Y12 A18 A19I11-F15 HydrophobicContact CG2-CD2 3.61Å; I11-F15 HydrophobicContact CG2-CE2 3.56Å; I11-F15 VanDerWaalsContact O-CD2 3.24Å; I11-F15 WeakPolarHBondContact O-CD2 3.35Å; I11-F15 PolarHBondContact O-N 3.35Å; Y12-F15 PolarHBondContact O-N 2.91Å; F15-A18 PolarHBondContact O-N 3.46Å; F15-A19 WeakPolarHBondContact O-CB 3.39Å; F15-A19 PolarHBondContact O-N 3.31Å
16R86Confident86.7Confident159 Ų15999.4 Ų99.460%0.652%0.522SS*.Hα-helixtrans-61.8-42.8175.2-80.2-68.6-142.6-168.36111.9Y12 L13 F20Y12-R16 HydrophobicContact CD1-CG 4.18Å; Y12-R16 HydrophobicContact CE1-CG 3.73Å; Y12-R16 HydrophobicContact CE2-CG 4.31Å; Y12-R16 WeakPolarHBondContact O-CB 3.43Å; Y12-R16 WeakPolarHBondContact O-CG 3.47Å; Y12-R16 PolarHBondContact O-N 3.06Å; Y12-R16 VanDerWaalsContact OH-CZ 3.27Å; Y12-R16 PolarHBondContact OH-NE 3.3Å; Y12-R16 PolarHBondContact OH-NH2 2.87Å; L13-R16 PolarHBondContact O-N 2.97Å; R16-F20 WeakPolarHBondContact O-CB 3.37Å; R16-F20 PolarHBondContact O-N 2.84Å
17F85.1Confident86.7Confident140 Ų140102.9 Ų102.961%0.61453%0.53SS*.Hα-helixtrans-67.4-42.4178.4-166.6-92.7000111.6L13 V14 F20 Y21L13-F17 WeakPolarHBondContact O-CB 3.24Å; L13-F17 PolarHBondContact O-N 3.39Å; V14-F17 PolarHBondContact O-N 3.33Å; F17-F20 PolarHBondContact O-N 3.34Å; F17-Y21 VanDerWaalsContact O-CB 3.3Å; F17-Y21 WeakPolarHBondContact O-CB 3.35Å; F17-Y21 PolarHBondContact O-N 2.97Å
18A83Confident86.5Confident51 Ų51104.4 Ų104.442%0.42153%0.532SS..Hα-helixtrans-61-46.9175.300000111.8V14 F15 F20 Y21 E22V14-A18 WeakPolarHBondContact O-CB 3.36Å; V14-A18 PolarHBondContact O-N 2.87Å; F15-A18 PolarHBondContact O-N 3.46Å; A18-F20 PolarHBondContact O-N 3.15Å; A18-Y21 PolarHBondContact O-N 2.95Å; A18-E22 WeakPolarHBondContact O-CB 3.3Å; A18-E22 PolarHBondContact O-N 2.88Å
19A83.1Confident86.4Confident58 Ų58103.5 Ų103.548%0.47953%0.53SS..Hα-helixtrans-63.6-39176.900000112.6F15 S23F15-A19 WeakPolarHBondContact O-CB 3.39Å; F15-A19 PolarHBondContact O-N 3.31Å; A19-S23 WeakPolarHBondContact O-CB 3.23Å; A19-S23 PolarHBondContact O-N 3.44Å; A19-S23 VanDerWaalsContact O-N 3.07Å
20F84.3Confident86.5Confident128 Ų128105.4 Ų105.456%0.56153%0.534SS*.Hα-helixtrans-65.6-45.3174.6-178.9-99.2000111.7R16 F17 A18 S23 E24R16-F20 WeakPolarHBondContact O-CB 3.37Å; R16-F20 PolarHBondContact O-N 2.84Å; F17-F20 PolarHBondContact O-N 3.34Å; A18-F20 PolarHBondContact O-N 3.15Å; F20-S23 WeakPolarHBondContact O-CB 3.13Å; F20-S23 PolarHBondContact O-N 3.1Å; F20-E24 HydrophobicContact CD1-CG 4.31Å; F20-E24 HydrophobicContact CE1-CG 3.78Å; F20-E24 HydrophobicContact CE2-CG 4.3Å; F20-E24 HydrophobicContact CZ-CG 3.76Å; F20-E24 PolarHBondContact O-N 2.75Å
21Y84.3Confident86.5Confident158 Ų158106.1 Ų106.162%0.6253%0.532SS*.Hα-helixtrans-63.5-41.3178-172.5-92.1000112.2F17 A18 E24 S25F17-Y21 VanDerWaalsContact O-CB 3.3Å; F17-Y21 WeakPolarHBondContact O-CB 3.35Å; F17-Y21 PolarHBondContact O-N 2.97Å; A18-Y21 PolarHBondContact O-N 2.95Å; Y21-E24 PolarHBondContact O-N 3.28Å; Y21-S25 WeakPolarHBondContact O-CB 3.36Å; Y21-S25 PolarHBondContact O-N 3.07Å
22E84.2Confident86.5Confident138 Ų138106 Ų10665%0.64553%0.532SS*.Hα-helixtrans-65-40176.2-168.2171.6-165.500111.6A18 T26A18-E22 WeakPolarHBondContact O-CB 3.3Å; A18-E22 PolarHBondContact O-N 2.88Å; E22-T26 WeakPolarHBondContact O-CB 3.43Å; E22-T26 PolarHBondContact O-N 3.23Å; E22-T26 PolarHBondContact O-OG1 3.31Å
23S86.1Confident86.5Confident76 Ų76102.7 Ų102.753%0.53153%0.526SS..Hα-helixtrans-63.2-49173.4178.90000112.5A19 F20 T26 H27A19-S23 WeakPolarHBondContact O-CB 3.23Å; A19-S23 PolarHBondContact O-N 3.44Å; A19-S23 VanDerWaalsContact O-N 3.07Å; F20-S23 WeakPolarHBondContact O-CB 3.13Å; F20-S23 PolarHBondContact O-N 3.1Å; S23-T26 PolarHBondContact O-N 2.62Å; S23-H27 PolarHBondContact O-N 2.92Å
24E84.2Confident86.6Confident94 Ų94101.1 Ų101.144%0.43952%0.521SS..Hα-helixtrans-62.1-44.7176.5-84-69.1160.500111.7F20 Y21 T26 H27 M28F20-E24 HydrophobicContact CD1-CG 4.31Å; F20-E24 HydrophobicContact CE1-CG 3.78Å; F20-E24 HydrophobicContact CE2-CG 4.3Å; F20-E24 HydrophobicContact CZ-CG 3.76Å; F20-E24 PolarHBondContact O-N 2.75Å; Y21-E24 PolarHBondContact O-N 3.28Å; E24-T26 VanDerWaalsContact C-N 3.3Å; E24-T26 PolarHBondContact O-N 3.3Å; E24-H27 PolarHBondContact O-N 2.9Å; E24-H27 VanDerWaalsContact O-N 3.13Å; E24-M28 WeakPolarHBondContact O-CB 3.44Å; E24-M28 PolarHBondContact O-N 2.99Å
25S86Confident86.6Confident56 Ų56101.4 Ų101.439%0.39252%0.519SS..Hα-helixtrans-58.6-43.4175.1-175.40000111.2Y21 H27 M28 S29Y21-S25 WeakPolarHBondContact O-CB 3.36Å; Y21-S25 PolarHBondContact O-N 3.07Å; S25-H27 VanDerWaalsContact C-N 3.35Å; S25-M28 PolarHBondContact O-N 3.41Å; S25-S29 WeakPolarHBondContact O-CB 3.49Å; S25-S29 PolarHBondContact O-N 2.82Å; S25-S29 PolarHBondContact O-OG 3.03Å; S25-S29 VanDerWaalsContact O-OG 3.07Å
26T88.1Confident86.7Confident71 Ų71100.2 Ų100.244%0.43652%0.515SS..Hα-helixtrans-64.9-39176.7-55.80000111.6E22 S23 E24 K30E22-T26 WeakPolarHBondContact O-CB 3.43Å; E22-T26 PolarHBondContact O-N 3.23Å; E22-T26 PolarHBondContact O-OG1 3.31Å; S23-T26 PolarHBondContact O-N 2.62Å; E24-T26 VanDerWaalsContact C-N 3.3Å; E24-T26 PolarHBondContact O-N 3.3Å; T26-K30 WeakPolarHBondContact O-CG 3.48Å; T26-K30 PolarHBondContact O-N 3.07Å
27H87.2Confident86.9Confident123 Ų12398.7 Ų98.757%0.56952%0.515SS*.Hα-helixtrans-66.7-45176.7-164.973.3000111.8S23 E24 S25 K30 L31S23-H27 PolarHBondContact O-N 2.92Å; E24-H27 PolarHBondContact O-N 2.9Å; E24-H27 VanDerWaalsContact O-N 3.13Å; S25-H27 VanDerWaalsContact C-N 3.35Å; H27-K30 WeakPolarHBondContact O-CB 3.38Å; H27-K30 PolarHBondContact O-N 3.3Å; H27-L31 PolarHBondContact O-N 3.45Å
28M84.4Confident87.1Confident114 Ų11497.7 Ų97.756%0.56252%0.515SS*.Hα-helixtrans-59.5-46.9173.6-100-109.6-71.300112.2E24 S25 K30 L31 I32E24-M28 WeakPolarHBondContact O-CB 3.44Å; E24-M28 PolarHBondContact O-N 2.99Å; S25-M28 PolarHBondContact O-N 3.41Å; M28-K30 VanDerWaalsContact C-N 3.31Å; M28-K30 PolarHBondContact O-N 3.3Å; M28-L31 PolarHBondContact O-N 3.38Å; M28-I32 WeakPolarHBondContact O-CG1 3.49Å; M28-I32 PolarHBondContact O-N 3.07Å
29S87.8Confident87.3Confident72 Ų7298.1 Ų98.150%0.50352%0.515SS..Hα-helixtrans-60.7-40176.5-63.40000112S25 S33S25-S29 WeakPolarHBondContact O-CB 3.49Å; S25-S29 PolarHBondContact O-N 2.82Å; S25-S29 PolarHBondContact O-OG 3.03Å; S25-S29 VanDerWaalsContact O-OG 3.07Å; S29-S33 WeakPolarHBondContact O-CB 3.4Å; S29-S33 PolarHBondContact O-N 2.93Å
30K90.3Very high87.5Confident135 Ų135100 Ų10059%0.58752%0.517SS*.Hα-helixtrans-62-47.7172.6-78.9178.6-180177.40111.4T26 H27 M28 I32 S33 T34T26-K30 WeakPolarHBondContact O-CG 3.48Å; T26-K30 PolarHBondContact O-N 3.07Å; H27-K30 WeakPolarHBondContact O-CB 3.38Å; H27-K30 PolarHBondContact O-N 3.3Å; M28-K30 VanDerWaalsContact C-N 3.31Å; M28-K30 PolarHBondContact O-N 3.3Å; K30-I32 PolarHBondContact O-N 2.82Å; K30-S33 PolarHBondContact O-N 2.94Å; K30-S33 VanDerWaalsContact O-N 3.16Å; K30-S33 PolarHBondContact O-OG 2.72Å; K30-T34 PolarHBondContact O-N 2.81Å; K30-T34 PolarHBondContact O-OG1 2.93Å; K30-T34 VanDerWaalsContact O-OG1 3.04Å
31L89.5Confident87.7Confident95 Ų9597.5 Ų97.550%0.49752%0.515SS..Hα-helixtrans-59.5-45.2179-175.167.1000112.1H27 M28 S33 T34 L35H27-L31 PolarHBondContact O-N 3.45Å; M28-L31 PolarHBondContact O-N 3.38Å; L31-S33 VanDerWaalsContact C-N 3.32Å; L31-S33 PolarHBondContact O-N 2.91Å; L31-T34 PolarHBondContact O-N 3.45Å; L31-L35 HydrophobicContact CG-CD1 4.24Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.31Å
32I88.9Confident87.8Confident88 Ų8894.8 Ų94.845%0.45151%0.511SS..Hα-helixtrans-59.1-45.3175.6-68.7166.5000110.4M28 K30 T34 L35 Q36M28-I32 WeakPolarHBondContact O-CG1 3.49Å; M28-I32 PolarHBondContact O-N 3.07Å; K30-I32 PolarHBondContact O-N 2.82Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 3.38Å; I32-L35 PolarHBondContact O-N 3.04Å; I32-Q36 PolarHBondContact O-N 3.13Å
33S89.8Confident87.7Confident50 Ų5092.1 Ų92.135%0.3550%0.501SS..Hα-helixtrans-63.2-3917876.30000112.5S29 K30 L31 Q36 Q37S29-S33 WeakPolarHBondContact O-CB 3.4Å; S29-S33 PolarHBondContact O-N 2.93Å; K30-S33 PolarHBondContact O-N 2.94Å; K30-S33 VanDerWaalsContact O-N 3.16Å; K30-S33 PolarHBondContact O-OG 2.72Å; L31-S33 VanDerWaalsContact C-N 3.32Å; L31-S33 PolarHBondContact O-N 2.91Å; S33-Q36 PolarHBondContact O-N 2.6Å; S33-Q37 WeakPolarHBondContact O-CG 3.37Å; S33-Q37 PolarHBondContact O-N 3.1Å
34T90.8Very high87.8Confident71 Ų7193.9 Ų93.944%0.43651%0.505SS..Hα-helixtrans-66.7-42175.7-54.40000111.4K30 L31 I32 Q37 L38K30-T34 PolarHBondContact O-N 2.81Å; K30-T34 PolarHBondContact O-OG1 2.93Å; K30-T34 VanDerWaalsContact O-OG1 3.04Å; L31-T34 PolarHBondContact O-N 3.45Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 3.38Å; T34-Q37 PolarHBondContact O-N 3.38Å; T34-L38 WeakPolarHBondContact O-CB 3.2Å; T34-L38 PolarHBondContact O-N 3.41Å
35L88.9Confident87.9Confident107 Ų10794.3 Ų94.356%0.5651%0.506SS*.Hα-helixtrans-63.9-40.7175.9-73.7170.8000111.8L31 I32 L38 S39L31-L35 HydrophobicContact CG-CD1 4.24Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.31Å; I32-L35 PolarHBondContact O-N 3.04Å; L35-L38 PolarHBondContact O-N 3.22Å; L35-S39 WeakPolarHBondContact O-CB 3.49Å; L35-S39 PolarHBondContact O-N 2.73Å
36Q89Confident87.6Confident121 Ų12195 Ų9557%0.56551%0.505SS*.Hα-helixtrans-63.1-42.9173-84.2175-41.700112.1I32 S33 L38 S39 N40I32-Q36 PolarHBondContact O-N 3.13Å; S33-Q36 PolarHBondContact O-N 2.6Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-L38 PolarHBondContact O-N 3.13Å; Q36-S39 PolarHBondContact O-N 3.49Å; Q36-N40 WeakPolarHBondContact O-CB 3.38Å; Q36-N40 VanDerWaalsContact O-CG 3.22Å; Q36-N40 PolarHBondContact O-N 3.22Å; Q36-N40 PolarHBondContact O-ND2 2.95Å
37Q90Very high87.3Confident126 Ų12694.5 Ų94.559%0.58950%0.502SS*.Hα-helixtrans-62.5-40.2174.8-76.7177.3-13.600112.3S33 T34 N40 S41S33-Q37 WeakPolarHBondContact O-CG 3.37Å; S33-Q37 PolarHBondContact O-N 3.1Å; T34-Q37 PolarHBondContact O-N 3.38Å; Q37-N40 PolarHBondContact O-N 3.46Å; Q37-S41 WeakPolarHBondContact O-CB 3.2Å; Q37-S41 PolarHBondContact O-N 3.26Å; Q37-S41 PolarHBondContact O-OG 3.11Å
38L88.5Confident87.1Confident120 Ų12094 Ų9463%0.62850%0.503SS*.Hα-helixtrans-65.4-42.8176.7-137.998.9000111.1T34 L35 Q36 S41 L42T34-L38 WeakPolarHBondContact O-CB 3.2Å; T34-L38 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 3.22Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-L38 PolarHBondContact O-N 3.13Å; L38-S41 PolarHBondContact O-N 3.35Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 PolarHBondContact O-N 2.91Å
39S87.3Confident86.9Confident60 Ų6094 Ų9442%0.4250%0.501SS..Hα-helixtrans-59.7-50175.1-169.50000111.3L35 Q36 S41 L42 D43L35-S39 WeakPolarHBondContact O-CB 3.49Å; L35-S39 PolarHBondContact O-N 2.73Å; Q36-S39 PolarHBondContact O-N 3.49Å; S39-S41 VanDerWaalsContact C-N 3.33Å; S39-S41 PolarHBondContact O-N 2.94Å; S39-L42 WeakPolarHBondContact O-CB 3.42Å; S39-L42 PolarHBondContact O-N 2.89Å; S39-L42 VanDerWaalsContact O-N 3.15Å; S39-D43 PolarHBondContact O-N 2.86Å
40N87.8Confident86.3Confident98 Ų9896.6 Ų96.652%0.52451%0.507SS..Hα-helixtrans-62-40.9178.1-67.3-15.2000111.7Q36 Q37 L42 D43 D44Q36-N40 WeakPolarHBondContact O-CB 3.38Å; Q36-N40 VanDerWaalsContact O-CG 3.22Å; Q36-N40 PolarHBondContact O-N 3.22Å; Q36-N40 PolarHBondContact O-ND2 2.95Å; Q37-N40 PolarHBondContact O-N 3.46Å; N40-L42 VanDerWaalsContact C-N 3.3Å; N40-L42 PolarHBondContact O-N 2.72Å; N40-D43 PolarHBondContact O-N 3.41Å; N40-D44 WeakPolarHBondContact O-CB 3.42Å; N40-D44 PolarHBondContact O-N 3.41Å
41S88.1Confident85.7Confident74 Ų7496.4 Ų96.452%0.51751%0.506SS..Hα-helixtrans-64.5-35.5176.5-59.80000112.1Q37 L38 S39 H45Q37-S41 WeakPolarHBondContact O-CB 3.2Å; Q37-S41 PolarHBondContact O-N 3.26Å; Q37-S41 PolarHBondContact O-OG 3.11Å; L38-S41 PolarHBondContact O-N 3.35Å; S39-S41 VanDerWaalsContact C-N 3.33Å; S39-S41 PolarHBondContact O-N 2.94Å; S41-H45 WeakPolarHBondContact O-CB 3.41Å; S41-H45 PolarHBondContact O-N 3.43Å
42L86.8Confident85.2Confident102 Ų10296.8 Ų96.853%0.53451%0.508SS..Hα-helixtrans-67.6-44.2174.3-176.964.6000110.9L38 S39 N40 D44 H45 I46L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 PolarHBondContact O-N 2.91Å; S39-L42 WeakPolarHBondContact O-CB 3.42Å; S39-L42 PolarHBondContact O-N 2.89Å; S39-L42 VanDerWaalsContact O-N 3.15Å; N40-L42 VanDerWaalsContact C-N 3.3Å; N40-L42 PolarHBondContact O-N 2.72Å; L42-D44 PolarHBondContact O-N 3.46Å; L42-H45 PolarHBondContact O-N 2.85Å; L42-I46 HydrophobicContact CD1-CD1 4.41Å; L42-I46 HydrophobicContact CG-CD1 4.02Å; L42-I46 WeakPolarHBondContact O-CB 3.37Å; L42-I46 VanDerWaalsContact O-CG1 3.25Å; L42-I46 WeakPolarHBondContact O-CG1 3.3Å; L42-I46 PolarHBondContact O-N 2.96Å
43D83Confident84.2Confident81 Ų8197.9 Ų97.943%0.43351%0.511SS..Hα-helixtrans-62.8-40.5176.2-70.5-29.6000111.9S39 N40 I46 T47S39-D43 PolarHBondContact O-N 2.86Å; N40-D43 PolarHBondContact O-N 3.41Å; D43-I46 PolarHBondContact O-N 2.8Å; D43-T47 WeakPolarHBondContact O-CB 3.38Å; D43-T47 PolarHBondContact O-N 2.75Å; D43-T47 PolarHBondContact O-OG1 3.28Å
44D87Confident83.3Confident114 Ų11498.1 Ų98.161%0.6151%0.513SS*.Hα-helixtrans-64.3-42.8173.4-79.8-22.9000111.6N40 L42 T47 L48N40-D44 WeakPolarHBondContact O-CB 3.42Å; N40-D44 PolarHBondContact O-N 3.41Å; L42-D44 PolarHBondContact O-N 3.46Å; D44-T47 PolarHBondContact O-N 3.15Å; D44-L48 WeakPolarHBondContact O-CB 3.34Å; D44-L48 PolarHBondContact O-N 2.84Å
45H86.1Confident82.5Confident102 Ų102102.1 Ų102.147%0.47253%0.525SS..Hα-helixtrans-63.6-44176.5-169.379.2000111.6S41 L42 T47 L48 Q49S41-H45 WeakPolarHBondContact O-CB 3.41Å; S41-H45 PolarHBondContact O-N 3.43Å; L42-H45 PolarHBondContact O-N 2.85Å; H45-T47 VanDerWaalsContact C-N 3.34Å; H45-L48 PolarHBondContact O-N 3.29Å; H45-Q49 PolarHBondContact CD2-NE2 3.49Å; H45-Q49 PolarHBondContact NE2-NE2 2.9Å; H45-Q49 WeakPolarHBondContact O-CG 3.28Å; H45-Q49 PolarHBondContact O-N 2.9Å
46I79.9Confident81.4Confident72 Ų72101.4 Ų101.437%0.36952%0.521SS..Hα-helixtrans-60.2-46174.1-70.4166000109.9L42 D43 L48 Q49 M50L42-I46 HydrophobicContact CD1-CD1 4.41Å; L42-I46 HydrophobicContact CG-CD1 4.02Å; L42-I46 WeakPolarHBondContact O-CB 3.37Å; L42-I46 VanDerWaalsContact O-CG1 3.25Å; L42-I46 WeakPolarHBondContact O-CG1 3.3Å; L42-I46 PolarHBondContact O-N 2.96Å; D43-I46 PolarHBondContact O-N 2.8Å; I46-L48 VanDerWaalsContact C-N 3.33Å; I46-L48 PolarHBondContact O-N 2.84Å; I46-Q49 PolarHBondContact O-N 3.27Å; I46-M50 HydrophobicContact CG2-CG 4.47Å; I46-M50 HydrophobicContact CG2-SD 4.13Å; I46-M50 VanDerWaalsContact O-CG 3.3Å; I46-M50 WeakPolarHBondContact O-CG 3.45Å; I46-M50 PolarHBondContact O-N 2.77Å
47T82.6Confident79.8Confident60 Ų60101 Ų10137%0.36852%0.517SS..Hα-helixtrans-61.2-41.4177.8-61.30000111.7D43 D44 H45 M50 K51D43-T47 WeakPolarHBondContact O-CB 3.38Å; D43-T47 PolarHBondContact O-N 2.75Å; D43-T47 PolarHBondContact O-OG1 3.28Å; D44-T47 PolarHBondContact O-N 3.15Å; H45-T47 VanDerWaalsContact C-N 3.34Å; T47-M50 PolarHBondContact O-N 3.4Å; T47-K51 HydrophobicContact CG2-CD 4.44Å; T47-K51 WeakPolarHBondContact O-CG 3.2Å; T47-K51 PolarHBondContact O-N 3.03Å
48L82.7Confident78.2Confident113 Ų113104 Ų10459%0.59253%0.528SS*.Hα-helixtrans-66.9-43.1176.9-169.569.6000111.5D44 H45 I46 M50 K51 L52D44-L48 WeakPolarHBondContact O-CB 3.34Å; D44-L48 PolarHBondContact O-N 2.84Å; H45-L48 PolarHBondContact O-N 3.29Å; I46-L48 VanDerWaalsContact C-N 3.33Å; I46-L48 PolarHBondContact O-N 2.84Å; L48-M50 VanDerWaalsContact C-N 3.33Å; L48-M50 PolarHBondContact O-N 2.84Å; L48-K51 PolarHBondContact O-N 2.87Å; L48-L52 WeakPolarHBondContact O-CB 3.23Å; L48-L52 PolarHBondContact O-N 3.13Å
49Q80.5Confident76.6Confident112 Ų112101.4 Ų101.452%0.52352%0.524SS..Hα-helixtrans-59.6-43173.3-75.2-171.9-4.100111.4H45 I46 L52 H53H45-Q49 PolarHBondContact CD2-NE2 3.49Å; H45-Q49 PolarHBondContact NE2-NE2 2.9Å; H45-Q49 WeakPolarHBondContact O-CG 3.28Å; H45-Q49 PolarHBondContact O-N 2.9Å; I46-Q49 PolarHBondContact O-N 3.27Å; Q49-L52 PolarHBondContact O-N 3.06Å; Q49-H53 WeakPolarHBondContact O-CB 3.03Å; Q49-H53 PolarHBondContact O-N 2.9Å
50M75.3Confident74.5Confident127 Ų127104 Ų10463%0.62653%0.533SS*.Hα-helixtrans-64-42.7175.8-70179.690.800111.8I46 T47 L48 H53 S54I46-M50 HydrophobicContact CG2-CG 4.47Å; I46-M50 HydrophobicContact CG2-SD 4.13Å; I46-M50 VanDerWaalsContact O-CG 3.3Å; I46-M50 WeakPolarHBondContact O-CG 3.45Å; I46-M50 PolarHBondContact O-N 2.77Å; T47-M50 PolarHBondContact O-N 3.4Å; L48-M50 VanDerWaalsContact C-N 3.33Å; L48-M50 PolarHBondContact O-N 2.84Å; M50-H53 PolarHBondContact O-N 2.9Å; M50-S54 WeakPolarHBondContact O-CB 3.46Å; M50-S54 PolarHBondContact O-N 3.44Å
51K78.4Confident72.4Confident131 Ų131107.9 Ų107.957%0.5755%0.546SS*.Hα-helixtrans-63-47.6175.1-77.3176.8-177.4172.50111.5T47 L48 S54 K55T47-K51 HydrophobicContact CG2-CD 4.44Å; T47-K51 WeakPolarHBondContact O-CG 3.2Å; T47-K51 PolarHBondContact O-N 3.03Å; L48-K51 PolarHBondContact O-N 2.87Å; K51-S54 PolarHBondContact O-N 3.06Å; K51-S54 PolarHBondContact O-OG 3.32Å; K51-K55 PolarHBondContact O-N 3.39Å
52L77.9Confident70.6Confident103 Ų103109.4 Ų109.454%0.53955%0.554SS.*Hα-helixtrans-59.8-47.2176.818062.7000110.7L48 Q49 S54 K55 L56L48-L52 WeakPolarHBondContact O-CB 3.23Å; L48-L52 PolarHBondContact O-N 3.13Å; Q49-L52 PolarHBondContact O-N 3.06Å; L52-S54 VanDerWaalsContact C-N 3.31Å; L52-S54 PolarHBondContact O-N 2.71Å; L52-K55 PolarHBondContact O-N 2.84Å; L52-K55 VanDerWaalsContact O-N 3.14Å; L52-L56 HydrophobicContact CD1-CD1 4.22Å; L52-L56 HydrophobicContact CD1-CG 4.25Å; L52-L56 HydrophobicContact CG-CD1 3.94Å; L52-L56 HydrophobicContact CG-CG 4.39Å; L52-L56 WeakPolarHBondContact O-CB 3.49Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.39Å; L52-L56 PolarHBondContact O-N 3.4Å
53H68.4Low68.9Low111 Ų111108.7 Ų108.751%0.51456%0.556SS.*Hα-helixtrans-61.1-39.5176.7-165.880.7000111.8Q49 M50 K57Q49-H53 WeakPolarHBondContact O-CB 3.03Å; Q49-H53 PolarHBondContact O-N 2.9Å; M50-H53 PolarHBondContact O-N 2.9Å; H53-K57 WeakPolarHBondContact NE2-CE 3.4Å; H53-K57 WeakPolarHBondContact O-CB 3.4Å; H53-K57 WeakPolarHBondContact O-CG 3.44Å; H53-K57 PolarHBondContact O-N 3.03Å
54S71.5Confident68.1Low56 Ų56112.2 Ų112.239%0.39257%0.574SS.*Hα-helixtrans-65.5-39.4173.986.20000112.7M50 K51 L52 K57 K58M50-S54 WeakPolarHBondContact O-CB 3.46Å; M50-S54 PolarHBondContact O-N 3.44Å; K51-S54 PolarHBondContact O-N 3.06Å; K51-S54 PolarHBondContact O-OG 3.32Å; L52-S54 VanDerWaalsContact C-N 3.31Å; L52-S54 PolarHBondContact O-N 2.71Å; S54-K57 PolarHBondContact O-N 3.46Å; S54-K58 PolarHBondContact O-N 2.89Å
55K72.2Confident67.8Low155 Ų155111.4 Ų111.467%0.67457%0.565SS**Hα-helixtrans-69.2-42.3177.4-81.7-165.1174.2-170.20111.2K51 L52 K57 K58 A59K51-K55 PolarHBondContact O-N 3.39Å; L52-K55 PolarHBondContact O-N 2.84Å; L52-K55 VanDerWaalsContact O-N 3.14Å; K55-K57 VanDerWaalsContact C-N 3.32Å; K55-K58 PolarHBondContact O-N 3.22Å; K55-A59 WeakPolarHBondContact O-CB 3.37Å; K55-A59 PolarHBondContact O-N 2.96Å
56L65.6Low67.9Low91 Ų91107.7 Ų107.748%0.47655%0.55SS..Hα-helixtrans-62.2-39.7172.3-70.3171.2000111.1L52 A59 N60L52-L56 HydrophobicContact CD1-CD1 4.22Å; L52-L56 HydrophobicContact CD1-CG 4.25Å; L52-L56 HydrophobicContact CG-CD1 3.94Å; L52-L56 HydrophobicContact CG-CG 4.39Å; L52-L56 WeakPolarHBondContact O-CB 3.49Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.39Å; L52-L56 PolarHBondContact O-N 3.4Å; L56-A59 PolarHBondContact O-N 2.81Å; L56-N60 WeakPolarHBondContact O-CB 3.21Å; L56-N60 VanDerWaalsContact O-CG 3.29Å; L56-N60 PolarHBondContact O-N 2.62Å
57K57.2Low68.5Low112 Ų112106.4 Ų106.449%0.48755%0.545SS..Hα-helixtrans-63.6-37.4172.2-83.2-171.6172.4-171.90113.2H53 S54 K55 T198H53-K57 WeakPolarHBondContact NE2-CE 3.4Å; H53-K57 WeakPolarHBondContact O-CB 3.4Å; H53-K57 WeakPolarHBondContact O-CG 3.44Å; H53-K57 PolarHBondContact O-N 3.03Å; S54-K57 PolarHBondContact O-N 3.46Å; K55-K57 VanDerWaalsContact C-N 3.32Å; K57-T198 PolarHBondContact NZ-O 2.96Å
58K55.3Low69.2Low190 Ų190103.5 Ų103.583%0.82653%0.528SS*.Hα-helixtrans-74.7-29.4175.6-77-175.5177.4-175.70113.1S54 K55S54-K58 PolarHBondContact O-N 2.89Å; K55-K58 PolarHBondContact O-N 3.22Å
59A55Low69.9Low65 Ų6598.1 Ų98.154%0.53750%0.5SS..Hα-helixtrans-80.1-25176.200000112.6K55 L56 F61K55-A59 WeakPolarHBondContact O-CB 3.37Å; K55-A59 PolarHBondContact O-N 2.96Å; L56-A59 PolarHBondContact O-N 2.81Å; A59-F61 PolarHBondContact O-N 2.8Å
60N42.3Very low70.8Confident114 Ų11492.8 Ų92.861%0.6148%0.475SS*.SBendtrans-71.699.7168-75.6-7.1000108.5L56L56-N60 WeakPolarHBondContact O-CB 3.21Å; L56-N60 VanDerWaalsContact O-CG 3.29Å; L56-N60 PolarHBondContact O-N 2.62Å
61F45Very low71.9Confident180 Ų18086.8 Ų86.879%0.78945%0.445SS*.  trans-41.4132149.6-62.3-87.3000107.5A59 P63A59-F61 PolarHBondContact O-N 2.8Å; F61-P63 VanDerWaalsContact O-N 3.08Å
62P49.5Very low72.9Confident106 Ų10680.5 Ų80.569%0.68842%0.418SS*.  trans-49.5127.7171.720.3-29.4000106.3D64P62-D64 PolarHBondContact O-N 3.2Å
63P52.2Low73.8Confident88 Ų8876.2 Ų76.257%0.57140%0.395SS*.  trans-52.8138-177.621.7-31.8000107.6F61 K65 V66F61-P63 VanDerWaalsContact O-N 3.08Å; P63-K65 PolarHBondContact O-N 3.43Å; P63-V66 HydrophobicContact CG-CG2 4.26Å
64D64.9Low75.2Confident155 Ų15571 Ų7183%0.82937%0.371SS*.SBendtrans-50.4-20.9-179.2-67.4-35.6000112P62P62-D64 PolarHBondContact O-N 3.2Å
65K80.7Confident76.3Confident96 Ų9670.1 Ų70.142%0.41737%0.365SS..SBendtrans-144125.6176.8-160175.4-170.3-167.90111.9P63 E101P63-K65 PolarHBondContact O-N 3.43Å; K65-E101 HydrophobicContact CD-CB 4.49Å; K65-E101 WeakPolarHBondContact CE-OE2 3.39Å; K65-E101 IonicContact NZ-OE2 3.01Å; K65-E101 PolarHBondContact NZ-OE2 3.34Å
66V88.6Confident77.2Confident25 Ų2568.2 Ų68.215%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-92.3121.8171.1179.50000109.1P63 I68 N99 F100 E101 Y194P63-V66 HydrophobicContact CG-CG2 4.26Å; V66-I68 HydrophobicContact CG1-CD1 4.37Å; V66-I68 HydrophobicContact CG1-CG1 4.04Å; V66-N99 PolarHBondContact N-O 3.42Å; V66-F100 HydrophobicContact CB-CD1 3.71Å; V66-F100 HydrophobicContact CB-CE1 3.69Å; V66-F100 HydrophobicContact CG1-CD1 3.99Å; V66-F100 HydrophobicContact CG1-CE1 3.88Å; V66-F100 HydrophobicContact CG2-CE1 4.12Å; V66-F100 WeakPolarHBondContact O-CA 3.42Å; V66-E101 PolarHBondContact O-N 3.45Å; V66-Y194 HydrophobicContact CG1-CD1 4.27Å; V66-Y194 HydrophobicContact CG1-CE1 3.64Å
67T93.8Very high78.6Confident44 Ų4466.4 Ų66.427%0.2735%0.348SS..EExtended strand (participates in β ladder)trans-103.8120.9178-56.20000110.4E101 P103 Y170T67-E101 CarbonylContact C-O 3.6Å; T67-E101 WeakPolarHBondContact CA-O 3.28Å; T67-P103 HydrophobicContact CG2-CG 3.7Å; T67-Y170 HydrophobicContact CG2-CD1 4.41Å; T67-Y170 HydrophobicContact CG2-CE1 3.73Å
68I96Very high80.4Confident0 Ų063.5 Ų63.50%034%0.341CS..  trans-119.596.6178.7-55.4180000107.9V66 F100 E101 F102 T172 I174 V191 Y194 M238V66-I68 HydrophobicContact CG1-CD1 4.37Å; V66-I68 HydrophobicContact CG1-CG1 4.04Å; I68-F100 HydrophobicContact CD1-CD1 4.34Å; I68-E101 PolarHBondContact N-O 2.93Å; I68-F102 HydrophobicContact CB-CD1 4.04Å; I68-F102 HydrophobicContact CB-CE1 4.03Å; I68-F102 HydrophobicContact CD1-CE1 4.33Å; I68-F102 WeakPolarHBondContact O-CA 3.33Å; I68-F102 WeakPolarHBondContact O-CD1 3.5Å; I68-T172 HydrophobicContact CB-CG2 4.31Å; I68-T172 HydrophobicContact CG1-CG2 4.16Å; I68-T172 HydrophobicContact CG2-CG2 4.03Å; I68-I174 HydrophobicContact CG2-CD1 3.6Å; I68-I174 HydrophobicContact CG2-CG1 3.76Å; I68-V191 HydrophobicContact CD1-CG2 4.27Å; I68-Y194 HydrophobicContact CD1-CD1 4.21Å; I68-Y194 HydrophobicContact CD1-CD2 4.3Å; I68-Y194 HydrophobicContact CD1-CG 3.9Å; I68-M238 HydrophobicContact CD1-CE 4.34Å; I68-M238 HydrophobicContact CG2-CE 3.63Å
69P98.2Very high82.3Confident0 Ų057.3 Ų57.30%032%0.319CS..  trans-62.9143.7178.428.5-36.1000111P103 F105 I164 Y170 T172 V173 I174P69-P103 WeakPolarHBondContact CA-O 3.46Å; P69-P103 HydrophobicContact CB-CG 3.99Å; P69-F105 HydrophobicContact CB-CD2 4.05Å; P69-F105 HydrophobicContact CB-CE2 4.05Å; P69-I164 HydrophobicContact CG-CG2 4.03Å; P69-Y170 HydrophobicContact CB-CD2 4.14Å; P69-Y170 HydrophobicContact CB-CE2 4.25Å; P69-Y170 HydrophobicContact CB-CG 4.32Å; P69-Y170 HydrophobicContact CG-CD1 4.03Å; P69-Y170 HydrophobicContact CG-CD2 3.86Å; P69-Y170 HydrophobicContact CG-CE2 4.42Å; P69-Y170 HydrophobicContact CG-CG 3.63Å; P69-T172 WeakPolarHBondContact CD-O 3.26Å; P69-T172 WeakPolarHBondContact CG-O 3.15Å; P69-V173 HydrophobicContact CB-CG2 4.44Å; P69-V173 HydrophobicContact CG-CB 4.13Å; P69-V173 HydrophobicContact CG-CG2 4.15Å; P69-V173 WeakPolarHBondContact O-CA 3.49Å; P69-V173 WeakPolarHBondContact O-CG2 3.34Å; P69-I174 PolarHBondContact O-N 2.8Å
70V98.8Very high84.3Confident0 Ų054.2 Ų54.20%029%0.294CS..EExtended strand (participates in β ladder)trans-106.2123.7168.2-173.40000107.7L87 F102 P103 I104 F105 I174 V176 L187V70-L87 HydrophobicContact CG1-CD1 3.67Å; V70-L87 HydrophobicContact CG1-CD2 3.91Å; V70-L87 HydrophobicContact CG1-CG 4.43Å; V70-L87 HydrophobicContact CG2-CD2 4.38Å; V70-F102 HydrophobicContact CG2-CB 4.25Å; V70-F102 HydrophobicContact CG2-CD1 4.47Å; V70-P103 PolarHBondContact N-O 3.29Å; V70-I104 CarbonylContact O-C 3.57Å; V70-I104 WeakPolarHBondContact O-CA 3.31Å; V70-F105 PolarHBondContact O-N 2.86Å; V70-I174 CarbonylContact C-O 3.49Å; V70-I174 VanDerWaalsContact CA-O 3.3Å; V70-I174 WeakPolarHBondContact CA-O 3.43Å; V70-I174 HydrophobicContact CG1-CB 4.43Å; V70-I174 HydrophobicContact CG1-CG2 4.46Å; V70-I174 HydrophobicContact CG2-CB 4.3Å; V70-I174 HydrophobicContact CG2-CD1 4.16Å; V70-V176 HydrophobicContact CG1-CG2 3.77Å; V70-L187 HydrophobicContact CG2-CD2 4.05Å
71L98.8Very high86.9Confident0 Ų050.2 Ų50.20%028%0.275CS..EExtended strand (participates in β ladder)trans-107.8108.6177.5174.463.6000109.1I73 F105 I129 A160 L161 I164 V173 I174 I175 V176L71-I73 HydrophobicContact CD1-CD1 4.41Å; L71-I73 HydrophobicContact CD2-CD1 3.87Å; L71-I73 HydrophobicContact CG-CD1 3.88Å; L71-F105 CarbonylContact C-O 3.59Å; L71-F105 WeakPolarHBondContact CA-O 3.31Å; L71-F105 HydrophobicContact CD1-CB 4.04Å; L71-I129 HydrophobicContact CD1-CD1 4.22Å; L71-A160 HydrophobicContact CD1-CB 4.37Å; L71-A160 HydrophobicContact CD2-CB 3.87Å; L71-L161 HydrophobicContact CD2-CD2 4.22Å; L71-I164 HydrophobicContact CB-CG1 4.34Å; L71-I164 HydrophobicContact CD1-CD1 4.31Å; L71-I164 HydrophobicContact CD1-CG1 4.17Å; L71-I164 HydrophobicContact CD2-CG1 3.92Å; L71-I164 HydrophobicContact CG-CG1 4.37Å; L71-V173 HydrophobicContact CB-CG2 3.53Å; L71-I174 PolarHBondContact N-O 2.86Å; L71-I175 CarbonylContact O-C 3.47Å; L71-I175 WeakPolarHBondContact O-CA 3.38Å; L71-V176 PolarHBondContact O-N 3.37Å
72V98.7Very high89.4Confident0 Ų047.4 Ų47.40%026%0.259CS..EExtended strand (participates in β ladder)trans-85.3123170.6-174.60000108.8I84 L87 I104 F105 V106 S107 V176V72-I84 HydrophobicContact CG1-CG1 4.49Å; V72-I84 HydrophobicContact CG2-CG1 4.27Å; V72-L87 HydrophobicContact CG2-CD1 3.73Å; V72-I104 HydrophobicContact CG2-CG2 4.37Å; V72-F105 PolarHBondContact N-O 2.86Å; V72-V106 HydrophobicContact CB-CB 4.47Å; V72-V106 HydrophobicContact CB-CG1 4.26Å; V72-V106 HydrophobicContact CB-CG2 4.11Å; V72-V106 HydrophobicContact CG1-CG1 4.45Å; V72-V106 HydrophobicContact CG2-CG2 4.39Å; V72-V106 CarbonylContact O-C 3.52Å; V72-V106 WeakPolarHBondContact O-CA 2.93Å; V72-S107 PolarHBondContact O-N 3Å; V72-V176 CarbonylContact C-O 3.56Å; V72-V176 WeakPolarHBondContact CA-O 3.27Å; V72-V176 HydrophobicContact CG2-CB 4.32Å
73I98.2Very high91.7Very high13 Ų1342.4 Ų42.47%0.06723%0.226CC..EExtended strand (participates in β ladder)trans-90.3112.9173.8-57.9-60.5000107.5L71 H156 Y157 A160 I175 V176 D178L71-I73 HydrophobicContact CD1-CD1 4.41Å; L71-I73 HydrophobicContact CD2-CD1 3.87Å; L71-I73 HydrophobicContact CG-CD1 3.88Å; I73-H156 VanDerWaalsContact CG2-CE1 3.44Å; I73-H156 WeakPolarHBondContact CG2-CE1 3.49Å; I73-Y157 HydrophobicContact CB-CE2 4.49Å; I73-Y157 HydrophobicContact CG1-CE1 4.24Å; I73-Y157 HydrophobicContact CG1-CE2 4.24Å; I73-Y157 HydrophobicContact CG2-CD2 4.34Å; I73-Y157 HydrophobicContact CG2-CE2 3.9Å; I73-A160 HydrophobicContact CD1-CB 3.76Å; I73-I175 HydrophobicContact CG1-CG2 3.93Å; I73-V176 PolarHBondContact N-O 3.27Å; I73-D178 WeakPolarHBondContact O-CB 3.5Å; I73-D178 PolarHBondContact O-N 2.59Å
74A96.5Very high93.9Very high1 Ų138.2 Ų38.21%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-128.7142.7-175.500000112.4A80 V106 S107 H108 A109 H156 D178A74-A80 HydrophobicContact CB-CB 4.37Å; A74-V106 HydrophobicContact CB-CG1 3.85Å; A74-S107 PolarHBondContact N-O 3.26Å; A74-H108 WeakPolarHBondContact O-CA 3.4Å; A74-A109 PolarHBondContact O-N 3.31Å; A74-H156 PolarHBondContact O-CE1 2.98Å; A74-H156 VanDerWaalsContact O-CE1 3.28Å; A74-D178 WeakPolarHBondContact CA-OD2 3.39Å; A74-D178 HydrophobicContact CB-CB 4.12Å
75C94.2Very high95.5Very high38 Ų3834.7 Ų34.726%0.25718%0.18SC..SBendtrans-130.9-113.2167.41760000110.9R77 H108 C110 T115 D178C75-R77 VanDerWaalsContact C-N 3.27Å; C75-R77 PolarHBondContact O-N 3.49Å; C75-R77 VanDerWaalsContact O-N 3.16Å; C75-H108 PolarHBondContact O-NE2 2.64Å; C75-C110 WeakPolarHBondContact CA-SG 3.44Å; C75-C110 HydrophobicContact CB-CB 4.19Å; C75-C110 WeakPolarHBondContact CB-SG 3.24Å; C75-C110 WeakPolarHBondContact SG-CB 3.2Å; C75-C110 CovalentContact SG-SG 2.05Å; C75-C110 PolarHBondContact SG-SG 3.42Å; C75-T115 WeakPolarHBondContact O-CB 3.05Å; C75-T115 VanDerWaalsContact O-CG2 3.29Å; C75-T115 WeakPolarHBondContact O-CG2 3.41Å; C75-T115 PolarHBondContact O-OG1 3.44Å; C75-D178 PolarHBondContact N-OD2 2.85Å; C75-D178 VanDerWaalsContact N-OD2 3.1Å
76N92.4Very high96.4Very high114 Ų11432.1 Ų32.161%0.6117%0.169SC*.SBendtrans-95.251.9-169.360.9-17.7000111C110 D112N76-C110 PolarHBondContact N-SG 2.95Å; N76-D112 HydrophobicContact CB-CB 3.95Å
77R93.7Very high96.9Very high53 Ų5331 Ų3120%0.216%0.162CC..  trans-135.992.8-175.5-170.1-178.2-60-78.43.9110.7C75 T79 A80 T115 D178 V285C75-R77 VanDerWaalsContact C-N 3.27Å; C75-R77 PolarHBondContact O-N 3.49Å; C75-R77 VanDerWaalsContact O-N 3.16Å; R77-T79 WeakPolarHBondContact CD-OG1 3.48Å; R77-T79 WeakPolarHBondContact CG-OG1 3.39Å; R77-T79 PolarHBondContact O-N 3.38Å; R77-A80 WeakPolarHBondContact O-CB 3.49Å; R77-A80 PolarHBondContact O-N 2.97Å; R77-T115 PolarHBondContact N-OG1 3.07Å; R77-D178 HydrophobicContact CB-CB 4.49Å; R77-D178 WeakPolarHBondContact CD-O 3.47Å; R77-D178 VanDerWaalsContact CD-OD1 3.26Å; R77-D178 WeakPolarHBondContact CD-OD1 3.34Å; R77-D178 IonicContact NE-OD1 2.79Å; R77-D178 PolarHBondContact NE-OD1 2.96Å; R77-V285 PolarHBondContact NH2-O 3.18Å
78P95.2Very high97.1Very high52 Ų5230.1 Ų30.134%0.33816%0.156SC..G310 helixtrans-59.3-20.9175.2-26.735.4000113.8A80 S81 A114 T115 V118P78-A80 PolarHBondContact O-N 3.44Å; P78-S81 PolarHBondContact O-N 2.86Å; P78-S81 PolarHBondContact O-OG 2.86Å; P78-A114 HydrophobicContact CG-CB 3.69Å; P78-T115 WeakPolarHBondContact CD-OG1 3.39Å; P78-T115 VanDerWaalsContact N-OG1 3.16Å; P78-V118 HydrophobicContact CB-CG2 4.02Å
79T95.6Very high97.1Very high59 Ų5934.5 Ų34.536%0.36218%0.176SC..G310 helixtrans-73.61.2173.163.40000113.9R77 S81 R82R77-T79 WeakPolarHBondContact CD-OG1 3.48Å; R77-T79 WeakPolarHBondContact CG-OG1 3.39Å; R77-T79 PolarHBondContact O-N 3.38Å; T79-S81 PolarHBondContact O-N 3.24Å; T79-R82 WeakPolarHBondContact O-CB 3.11Å; T79-R82 WeakPolarHBondContact O-CG 3.33Å; T79-R82 PolarHBondContact O-N 2.68Å
80A96.2Very high97Very high0 Ų034.7 Ų34.70%018%0.177CC..G310 helixtrans-53.4-20.9164.800000112A74 R77 P78 R82 P83 I84 D178A74-A80 HydrophobicContact CB-CB 4.37Å; R77-A80 WeakPolarHBondContact O-CB 3.49Å; R77-A80 PolarHBondContact O-N 2.97Å; P78-A80 PolarHBondContact O-N 3.44Å; A80-R82 PolarHBondContact O-N 2.97Å; A80-P83 VanDerWaalsContact O-CD 3.24Å; A80-P83 WeakPolarHBondContact O-CD 3.18Å; A80-P83 WeakPolarHBondContact O-CG 3.43Å; A80-I84 HydrophobicContact CB-CD1 4.39Å; A80-I84 VanDerWaalsContact O-CD1 3.31Å; A80-I84 WeakPolarHBondContact O-CD1 3.4Å; A80-I84 WeakPolarHBondContact O-CG1 3.33Å; A80-I84 PolarHBondContact O-N 2.93Å; A80-D178 HydrophobicContact CB-CB 3.79Å
81S97.6Very high96.8Very high30 Ų3036.6 Ų36.621%0.2119%0.185CC..Hα-helixtrans-52.3-34.4168.5530000113.6P78 T79 I84 D85 Y122P78-S81 PolarHBondContact O-N 2.86Å; P78-S81 PolarHBondContact O-OG 2.86Å; T79-S81 PolarHBondContact O-N 3.24Å; S81-I84 PolarHBondContact O-N 3.22Å; S81-D85 VanDerWaalsContact O-CB 3.29Å; S81-D85 WeakPolarHBondContact O-CB 3.06Å; S81-D85 PolarHBondContact O-N 3.05Å; S81-Y122 VanDerWaalsContact CA-OH 3.24Å; S81-Y122 WeakPolarHBondContact CA-OH 3.48Å; S81-Y122 WeakPolarHBondContact CB-OH 3.42Å; S81-Y122 PolarHBondContact O-OH 2.77Å
82R97.8Very high96.5Very high122 Ų12242.4 Ų42.446%0.4621%0.213SC..Hα-helixtrans-60.4-58.4-177.9-66.1175.863.293.6-2.3113T79 A80 I84 K86 D181 F282T79-R82 WeakPolarHBondContact O-CB 3.11Å; T79-R82 WeakPolarHBondContact O-CG 3.33Å; T79-R82 PolarHBondContact O-N 2.68Å; A80-R82 PolarHBondContact O-N 2.97Å; R82-I84 VanDerWaalsContact C-N 3.3Å; R82-I84 PolarHBondContact O-N 3.41Å; R82-K86 PolarHBondContact O-N 3.38Å; R82-D181 IonicContact CZ-OD1 2.76Å; R82-D181 IonicContact NE-OD1 3.67Å; R82-D181 PolarHBondContact NE-OD1 2.79Å; R82-D181 VanDerWaalsContact NE-OD1 3.09Å; R82-D181 VanDerWaalsContact NH2-CG 3.29Å; R82-D181 IonicContact NH2-OD1 3.28Å; R82-D181 PolarHBondContact NH2-OD1 3.29Å; R82-D181 IonicContact NH2-OD2 2.82Å; R82-D181 PolarHBondContact NH2-OD2 2.86Å; R82-F282 HydrophobicContact CB-CE1 4.15Å; R82-F282 HydrophobicContact CB-CZ 4.26Å
83P98.2Very high96.2Very high0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-63.1-36.6174.419.8-29.7000112A80 K86 L87 V176 L180 L182A80-P83 VanDerWaalsContact O-CD 3.24Å; A80-P83 WeakPolarHBondContact O-CD 3.18Å; A80-P83 WeakPolarHBondContact O-CG 3.43Å; P83-K86 PolarHBondContact O-N 2.63Å; P83-L87 WeakPolarHBondContact O-CB 3.3Å; P83-L87 WeakPolarHBondContact O-CG 3.36Å; P83-L87 PolarHBondContact O-N 3.2Å; P83-V176 HydrophobicContact CB-CG1 3.85Å; P83-L180 WeakPolarHBondContact CB-O 3.42Å; P83-L182 HydrophobicContact CB-CD1 4.29Å
84I98.6Very high95.7Very high0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-63.2-49.1-179.5-66.3167000111.6V72 A80 S81 R82 K86 L87 L88 V106 L119 Y122 I126V72-I84 HydrophobicContact CG1-CG1 4.49Å; V72-I84 HydrophobicContact CG2-CG1 4.27Å; A80-I84 HydrophobicContact CB-CD1 4.39Å; A80-I84 VanDerWaalsContact O-CD1 3.31Å; A80-I84 WeakPolarHBondContact O-CD1 3.4Å; A80-I84 WeakPolarHBondContact O-CG1 3.33Å; A80-I84 PolarHBondContact O-N 2.93Å; S81-I84 PolarHBondContact O-N 3.22Å; R82-I84 VanDerWaalsContact C-N 3.3Å; R82-I84 PolarHBondContact O-N 3.41Å; I84-K86 VanDerWaalsContact C-N 3.27Å; I84-K86 PolarHBondContact O-N 2.91Å; I84-L87 PolarHBondContact O-N 3.47Å; I84-L88 HydrophobicContact CG2-CD1 3.98Å; I84-L88 HydrophobicContact CG2-CG 4.44Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.37Å; I84-V106 HydrophobicContact CD1-CG2 3.86Å; I84-V106 HydrophobicContact CG1-CG2 4.27Å; I84-L119 HydrophobicContact CD1-CD2 3.59Å; I84-Y122 HydrophobicContact CB-CE2 4.4Å; I84-Y122 HydrophobicContact CD1-CE2 4.29Å; I84-Y122 HydrophobicContact CG2-CD1 3.94Å; I84-Y122 HydrophobicContact CG2-CD2 4.18Å; I84-Y122 HydrophobicContact CG2-CE1 3.6Å; I84-Y122 HydrophobicContact CG2-CE2 3.85Å; I84-Y122 HydrophobicContact CG2-CG 4.22Å; I84-I126 HydrophobicContact CG2-CG2 3.92Å
85D98.6Very high95Very high81 Ų8149.7 Ų49.743%0.43325%0.249SC..Hα-helixtrans-58.6-43.1177.3-73.2-18.5000110.6S81 L88 Q89 Y122S81-D85 VanDerWaalsContact O-CB 3.29Å; S81-D85 WeakPolarHBondContact O-CB 3.06Å; S81-D85 PolarHBondContact O-N 3.05Å; D85-L88 PolarHBondContact O-N 3.18Å; D85-Q89 PolarHBondContact O-N 3.21Å; D85-Y122 VanDerWaalsContact CG-OH 3.3Å; D85-Y122 WeakPolarHBondContact OD1-CE1 3.19Å; D85-Y122 VanDerWaalsContact OD1-CZ 3.3Å; D85-Y122 PolarHBondContact OD1-OH 3.28Å
86K98.5Very high93.9Very high43 Ų4355.8 Ų55.819%0.18727%0.271CS..Hα-helixtrans-64.4-43.8177.2-172.254.3173.5-179.80111.8R82 P83 I84 Q89 L90 L182R82-K86 PolarHBondContact O-N 3.38Å; P83-K86 PolarHBondContact O-N 2.63Å; I84-K86 VanDerWaalsContact C-N 3.27Å; I84-K86 PolarHBondContact O-N 2.91Å; K86-Q89 VanDerWaalsContact NZ-OE1 3.15Å; K86-Q89 WeakPolarHBondContact O-CB 3.2Å; K86-Q89 PolarHBondContact O-N 3.19Å; K86-L90 HydrophobicContact CD-CD1 4.5Å; K86-L90 HydrophobicContact CD-CG 4.35Å; K86-L90 HydrophobicContact CG-CD1 4.27Å; K86-L90 VanDerWaalsContact O-CG 3.26Å; K86-L90 WeakPolarHBondContact O-CG 3.16Å; K86-L90 PolarHBondContact O-N 3.24Å; K86-L182 WeakPolarHBondContact CE-O 3.31Å; K86-L182 HydrophobicContact CG-CB 3.86Å; K86-L182 HydrophobicContact CG-CD1 4.49Å
87L98.6Very high92.9Very high1 Ų153.8 Ų53.81%0.00526%0.258CS..Hα-helixtrans-62.8-40.9176.4-73.1167.2000112V70 V72 P83 I84 L90 K91 I104 V176 L182 F186 L187V70-L87 HydrophobicContact CG1-CD1 3.67Å; V70-L87 HydrophobicContact CG1-CD2 3.91Å; V70-L87 HydrophobicContact CG1-CG 4.43Å; V70-L87 HydrophobicContact CG2-CD2 4.38Å; V72-L87 HydrophobicContact CG2-CD1 3.73Å; P83-L87 WeakPolarHBondContact O-CB 3.3Å; P83-L87 WeakPolarHBondContact O-CG 3.36Å; P83-L87 PolarHBondContact O-N 3.2Å; I84-L87 PolarHBondContact O-N 3.47Å; L87-L90 PolarHBondContact O-N 3.08Å; L87-K91 WeakPolarHBondContact O-CB 3.38Å; L87-K91 PolarHBondContact O-N 2.8Å; L87-I104 HydrophobicContact CB-CD1 3.72Å; L87-I104 HydrophobicContact CB-CG1 4.47Å; L87-V176 HydrophobicContact CD1-CG2 4.38Å; L87-L182 HydrophobicContact CD1-CD1 4.35Å; L87-L182 HydrophobicContact CD2-CD1 3.7Å; L87-L182 HydrophobicContact CG-CD1 3.67Å; L87-F186 HydrophobicContact CD2-CD1 4.15Å; L87-F186 HydrophobicContact CD2-CE1 4Å; L87-L187 HydrophobicContact CD2-CD2 4.09Å
88L98Very high91.4Very high26 Ų2657.9 Ų57.914%0.13628%0.283CS..Hα-helixtrans-63.6-43.1176-73.4170000111.8I84 D85 H92 I104 Y122 R125I84-L88 HydrophobicContact CG2-CD1 3.98Å; I84-L88 HydrophobicContact CG2-CG 4.44Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.37Å; D85-L88 PolarHBondContact O-N 3.18Å; L88-H92 PolarHBondContact O-N 2.89Å; L88-I104 HydrophobicContact CD2-CD1 3.74Å; L88-I104 HydrophobicContact CG-CD1 4Å; L88-Y122 HydrophobicContact CD1-CD1 3.54Å; L88-Y122 HydrophobicContact CD1-CE1 3.66Å; L88-R125 HydrophobicContact CD1-CB 4.42Å; L88-R125 HydrophobicContact CD2-CB 3.86Å
89Q96.9Very high90.9Very high91 Ų9159.8 Ų59.843%0.42529%0.291SS..Hα-helixtrans-57.3-53.4172.8-178.3-165.4-3.700110.7D85 K86 K91 H92 E93D85-Q89 PolarHBondContact O-N 3.21Å; K86-Q89 VanDerWaalsContact NZ-OE1 3.15Å; K86-Q89 WeakPolarHBondContact O-CB 3.2Å; K86-Q89 PolarHBondContact O-N 3.19Å; Q89-K91 PolarHBondContact O-N 2.91Å; Q89-H92 PolarHBondContact O-N 3.45Å; Q89-E93 PolarHBondContact NE2-OE1 3.29Å; Q89-E93 PolarHBondContact O-N 2.94Å
90L96.1Very high90.5Very high5 Ų557.6 Ų57.63%0.02628%0.276CS..Hα-helixtrans-65.6-39.4-176.9-65179000112.3K86 L87 H92 E93 M94 P184 F186 L187K86-L90 HydrophobicContact CD-CD1 4.5Å; K86-L90 HydrophobicContact CD-CG 4.35Å; K86-L90 HydrophobicContact CG-CD1 4.27Å; K86-L90 VanDerWaalsContact O-CG 3.26Å; K86-L90 WeakPolarHBondContact O-CG 3.16Å; K86-L90 PolarHBondContact O-N 3.24Å; L87-L90 PolarHBondContact O-N 3.08Å; L90-H92 VanDerWaalsContact C-N 3.3Å; L90-H92 PolarHBondContact O-N 3.04Å; L90-E93 PolarHBondContact O-N 3.24Å; L90-M94 WeakPolarHBondContact O-CG 3.42Å; L90-M94 PolarHBondContact O-N 3.45Å; L90-P184 WeakPolarHBondContact CD2-O 3.1Å; L90-F186 HydrophobicContact CD1-CB 3.84Å; L90-L187 HydrophobicContact CB-CD1 3.61Å; L90-L187 HydrophobicContact CB-CG 4Å; L90-L187 HydrophobicContact CD1-CG 4.36Å
91K94.9Very high90.4Very high39 Ų3960.3 Ų60.317%0.1729%0.289CS..Hα-helixtrans-55.7-47.3172.9177.5-172.5171.5780110L87 Q89 M94 L95 F102 I104L87-K91 WeakPolarHBondContact O-CB 3.38Å; L87-K91 PolarHBondContact O-N 2.8Å; Q89-K91 PolarHBondContact O-N 2.91Å; K91-M94 PolarHBondContact O-N 2.66Å; K91-L95 WeakPolarHBondContact O-CG 3.34Å; K91-L95 PolarHBondContact O-N 3.16Å; K91-F102 WeakPolarHBondContact CD-O 3.37Å; K91-F102 HydrophobicContact CG-CB 4.45Å; K91-F102 PolarHBondContact NZ-O 2.63Å; K91-I104 HydrophobicContact CD-CD1 4.26Å
92H93.2Very high90.3Very high123 Ų12359 Ų5957%0.56928%0.28SS*.Hα-helixtrans-64-41.9177.8-178.576.6000112.8L88 Q89 L90 M94 L95L88-H92 PolarHBondContact O-N 2.89Å; Q89-H92 PolarHBondContact O-N 3.45Å; L90-H92 VanDerWaalsContact C-N 3.3Å; L90-H92 PolarHBondContact O-N 3.04Å; H92-M94 VanDerWaalsContact C-N 3.28Å; H92-M94 PolarHBondContact O-N 3.43Å; H92-L95 PolarHBondContact O-N 3.34Å
93E91.2Very high90.2Very high66 Ų6654.1 Ų54.131%0.30826%0.264SS..Hα-helixtrans-60.7-37.9175.2-70.5-178.4-15800111.8Q89 L90 K306Q89-E93 PolarHBondContact NE2-OE1 3.29Å; Q89-E93 PolarHBondContact O-N 2.94Å; L90-E93 PolarHBondContact O-N 3.24Å; E93-K306 IonicContact OE1-NZ 3.35Å; E93-K306 IonicContact OE2-NZ 2.79Å; E93-K306 PolarHBondContact OE2-NZ 3.21Å
94M87.8Confident90.3Very high13 Ų1354.3 Ų54.36%0.06427%0.265CS..Hα-helixtrans-80.3-21.3-179.9-69.9-159.569.400114.9L90 K91 H92 K96 Q97 F102 L187 V191L90-M94 WeakPolarHBondContact O-CG 3.42Å; L90-M94 PolarHBondContact O-N 3.45Å; K91-M94 PolarHBondContact O-N 2.66Å; H92-M94 VanDerWaalsContact C-N 3.28Å; H92-M94 PolarHBondContact O-N 3.43Å; M94-K96 PolarHBondContact O-N 2.91Å; M94-Q97 WeakPolarHBondContact O-CA 3.49Å; M94-Q97 WeakPolarHBondContact O-CB 3.4Å; M94-Q97 PolarHBondContact O-N 2.9Å; M94-F102 HydrophobicContact CB-CD2 4.48Å; M94-F102 HydrophobicContact CB-CE2 3.93Å; M94-F102 HydrophobicContact CE-CE2 3.73Å; M94-F102 HydrophobicContact CE-CZ 3.69Å; M94-F102 HydrophobicContact CG-CE2 4.3Å; M94-F102 HydrophobicContact SD-CD2 4.42Å; M94-F102 HydrophobicContact SD-CE2 3.45Å; M94-F102 WeakPolarHBondContact SD-CE2 3.21Å; M94-F102 HydrophobicContact SD-CZ 3.6Å; M94-L187 HydrophobicContact SD-CB 3.26Å; M94-L187 WeakPolarHBondContact SD-CB 3.25Å; M94-L187 HydrophobicContact SD-CD1 4.16Å; M94-L187 HydrophobicContact SD-CG 4.36Å; M94-V191 HydrophobicContact CE-CG2 3.85Å
95L81.7Confident90.3Very high88 Ų8854.6 Ų54.646%0.46127%0.266SS..THydrogen-bonded Turntrans-57.2-22.8174.9-78.6173.4000112.9K91 H92 Q97K91-L95 WeakPolarHBondContact O-CG 3.34Å; K91-L95 PolarHBondContact O-N 3.16Å; H92-L95 PolarHBondContact O-N 3.34Å; L95-Q97 PolarHBondContact O-N 3.48Å
96K72.1Confident90.3Very high166 Ų16650.7 Ų50.772%0.72225%0.245SC*.THydrogen-bonded Turntrans-70.4-13.8174.2-61.3-177.9-179.7-179.70113.3M94M94-K96 PolarHBondContact O-N 2.91Å
97Q69.9Low90.3Very high71 Ų7148.7 Ų48.733%0.33224%0.236SC..SBendtrans-10493.3176.6-57.5-177.9-5.900107.3M94 L95 N99M94-Q97 WeakPolarHBondContact O-CA 3.49Å; M94-Q97 WeakPolarHBondContact O-CB 3.4Å; M94-Q97 PolarHBondContact O-N 2.9Å; L95-Q97 PolarHBondContact O-N 3.48Å; Q97-N99 PolarHBondContact O-N 2.91Å
98N63.3Low90.2Very high139 Ų13948.7 Ų48.774%0.74324%0.236SC*.THydrogen-bonded Turntrans-49.6-8.8-160.7-71.2-15.5000119.1
99N83.5Confident89.8Confident92 Ų9248.9 Ų48.949%0.49224%0.242SC..THydrogen-bonded Turntrans-109.9-5.1-165.5-61.34000114.5V66 Q97V66-N99 PolarHBondContact N-O 3.42Å; Q97-N99 PolarHBondContact O-N 2.91Å
100F88.6Confident89.4Confident14 Ų1445.8 Ų45.86%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-125.2138.8-176.9-64.7-83.3000113.4V66 I68 F102 V191 H310V66-F100 HydrophobicContact CB-CD1 3.71Å; V66-F100 HydrophobicContact CB-CE1 3.69Å; V66-F100 HydrophobicContact CG1-CD1 3.99Å; V66-F100 HydrophobicContact CG1-CE1 3.88Å; V66-F100 HydrophobicContact CG2-CE1 4.12Å; V66-F100 WeakPolarHBondContact O-CA 3.42Å; I68-F100 HydrophobicContact CD1-CD1 4.34Å; F100-F102 HydrophobicContact CB-CE2 3.87Å; F100-F102 HydrophobicContact CB-CZ 3.93Å; F100-V191 HydrophobicContact CD1-CG1 4.13Å; F100-V191 HydrophobicContact CD1-CG2 3.84Å; F100-V191 HydrophobicContact CD2-CG1 4.18Å; F100-V191 HydrophobicContact CD2-CG2 4.41Å; F100-V191 HydrophobicContact CE1-CB 4.46Å; F100-V191 HydrophobicContact CE1-CG1 3.6Å; F100-V191 HydrophobicContact CE1-CG2 4.12Å; F100-V191 HydrophobicContact CE2-CG1 3.66Å; F100-V191 HydrophobicContact CG-CG1 4.41Å; F100-V191 HydrophobicContact CG-CG2 4.01Å; F100-V191 HydrophobicContact CZ-CG1 3.35Å; F100-H310 AromaticContact CE2-CD2 3.66Å; F100-H310 AromaticContact CE2-CE1 3.93Å; F100-H310 AromaticContact CE2-NE2 3.47Å; F100-H310 WeakPolarHBondContact CE2-NE2 3.31Å; F100-H310 AromaticContact CZ-CD2 3.82Å; F100-H310 AromaticContact CZ-NE2 3.8Å
101E92.5Very high89Confident57 Ų5752.2 Ų52.227%0.26626%0.264SS..EExtended strand (participates in β ladder)trans-131.7142.1171.7172.3172.9-153.800112.4K65 V66 T67 I68K65-E101 HydrophobicContact CD-CB 4.49Å; K65-E101 WeakPolarHBondContact CE-OE2 3.39Å; K65-E101 IonicContact NZ-OE2 3.01Å; K65-E101 PolarHBondContact NZ-OE2 3.34Å; V66-E101 PolarHBondContact O-N 3.45Å; T67-E101 CarbonylContact C-O 3.6Å; T67-E101 WeakPolarHBondContact CA-O 3.28Å; I68-E101 PolarHBondContact N-O 2.93Å
102F96Very high89Confident2 Ų252.4 Ų52.41%0.00927%0.267CS..  trans-123.583.3-177-53.9-85.8000110.4I68 V70 K91 M94 F100 I104 I174 L187 V191I68-F102 HydrophobicContact CB-CD1 4.04Å; I68-F102 HydrophobicContact CB-CE1 4.03Å; I68-F102 HydrophobicContact CD1-CE1 4.33Å; I68-F102 WeakPolarHBondContact O-CA 3.33Å; I68-F102 WeakPolarHBondContact O-CD1 3.5Å; V70-F102 HydrophobicContact CG2-CB 4.25Å; V70-F102 HydrophobicContact CG2-CD1 4.47Å; K91-F102 WeakPolarHBondContact CD-O 3.37Å; K91-F102 HydrophobicContact CG-CB 4.45Å; K91-F102 PolarHBondContact NZ-O 2.63Å; M94-F102 HydrophobicContact CB-CD2 4.48Å; M94-F102 HydrophobicContact CB-CE2 3.93Å; M94-F102 HydrophobicContact CE-CE2 3.73Å; M94-F102 HydrophobicContact CE-CZ 3.69Å; M94-F102 HydrophobicContact CG-CE2 4.3Å; M94-F102 HydrophobicContact SD-CD2 4.42Å; M94-F102 HydrophobicContact SD-CE2 3.45Å; M94-F102 WeakPolarHBondContact SD-CE2 3.21Å; M94-F102 HydrophobicContact SD-CZ 3.6Å; F100-F102 HydrophobicContact CB-CE2 3.87Å; F100-F102 HydrophobicContact CB-CZ 3.93Å; F102-I104 PolarHBondContact O-N 3Å; F102-I174 HydrophobicContact CD1-CD1 4.5Å; F102-L187 HydrophobicContact CB-CD1 4.4Å; F102-L187 HydrophobicContact CD1-CD1 4.29Å; F102-L187 HydrophobicContact CD1-CD2 3.9Å; F102-L187 HydrophobicContact CD2-CD1 3.9Å; F102-L187 HydrophobicContact CE1-CB 4.26Å; F102-L187 HydrophobicContact CE1-CD2 4.18Å; F102-L187 HydrophobicContact CE2-CD1 4.25Å; F102-L187 HydrophobicContact CG-CD1 3.93Å; F102-L187 HydrophobicContact CG-CD2 4.3Å; F102-L187 HydrophobicContact CZ-CB 4.18Å; F102-V191 HydrophobicContact CE1-CG2 4.11Å; F102-V191 HydrophobicContact CZ-CG2 3.62Å
103P97.1Very high89.1Confident20 Ų2053 Ų5313%0.1328%0.275CS..  trans-65.5132.4170.927.6-30.6000108.6T67 P69 V70 F105 Y170T67-P103 HydrophobicContact CG2-CG 3.7Å; P69-P103 WeakPolarHBondContact CA-O 3.46Å; P69-P103 HydrophobicContact CB-CG 3.99Å; V70-P103 PolarHBondContact N-O 3.29Å; P103-F105 HydrophobicContact CB-CE2 3.94Å; P103-F105 HydrophobicContact CG-CE2 4.11Å; P103-Y170 HydrophobicContact CG-CE1 4.46Å
104I98.6Very high89.4Confident4 Ų452.4 Ų52.42%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-102.3112.1-176.6-60.4168.9000108V70 V72 L87 L88 K91 F102 V106 I126 T127V70-I104 CarbonylContact O-C 3.57Å; V70-I104 WeakPolarHBondContact O-CA 3.31Å; V72-I104 HydrophobicContact CG2-CG2 4.37Å; L87-I104 HydrophobicContact CB-CD1 3.72Å; L87-I104 HydrophobicContact CB-CG1 4.47Å; L88-I104 HydrophobicContact CD2-CD1 3.74Å; L88-I104 HydrophobicContact CG-CD1 4Å; K91-I104 HydrophobicContact CD-CD1 4.26Å; F102-I104 PolarHBondContact O-N 3Å; I104-V106 HydrophobicContact CG2-CG2 4.45Å; I104-I126 HydrophobicContact CB-CG2 4.15Å; I104-I126 HydrophobicContact CG2-CB 4.42Å; I104-I126 HydrophobicContact CG2-CG2 3.86Å; I104-I126 CarbonylContact O-C 3.56Å; I104-I126 WeakPolarHBondContact O-CA 3.17Å; I104-T127 PolarHBondContact O-N 2.91Å
105F98.8Very high89.9Confident5 Ų551.8 Ų51.82%0.02228%0.278CS..EExtended strand (participates in β ladder)trans-96.5139.4170.4-68.1-92.8000109.2P69 V70 L71 V72 P103 T127 I129 I164 Y168 Y170P69-F105 HydrophobicContact CB-CD2 4.05Å; P69-F105 HydrophobicContact CB-CE2 4.05Å; V70-F105 PolarHBondContact O-N 2.86Å; L71-F105 CarbonylContact C-O 3.59Å; L71-F105 WeakPolarHBondContact CA-O 3.31Å; L71-F105 HydrophobicContact CD1-CB 4.04Å; V72-F105 PolarHBondContact N-O 2.86Å; P103-F105 HydrophobicContact CB-CE2 3.94Å; P103-F105 HydrophobicContact CG-CE2 4.11Å; F105-T127 CarbonylContact C-O 3.59Å; F105-T127 VanDerWaalsContact CA-O 3.26Å; F105-T127 WeakPolarHBondContact CA-O 3.36Å; F105-T127 HydrophobicContact CD1-CG2 3.82Å; F105-T127 HydrophobicContact CE1-CG2 3.74Å; F105-I129 HydrophobicContact CD1-CG2 4.19Å; F105-I164 HydrophobicContact CB-CD1 3.92Å; F105-I164 HydrophobicContact CD1-CD1 3.95Å; F105-I164 HydrophobicContact CD2-CD1 3.75Å; F105-I164 HydrophobicContact CE1-CD1 4.44Å; F105-I164 HydrophobicContact CE2-CD1 4.25Å; F105-I164 HydrophobicContact CG-CD1 3.58Å; F105-Y168 HydrophobicContact CD1-CE2 4.25Å; F105-Y168 AromaticContact CE1-CD1 3.94Å; F105-Y168 HydrophobicContact CE1-CD1 3.94Å; F105-Y168 AromaticContact CE1-CD2 3.98Å; F105-Y168 HydrophobicContact CE1-CD2 3.98Å; F105-Y168 AromaticContact CE1-CE1 3.68Å; F105-Y168 HydrophobicContact CE1-CE1 3.68Å; F105-Y168 AromaticContact CE1-CE2 3.74Å; F105-Y168 HydrophobicContact CE1-CE2 3.74Å; F105-Y168 HydrophobicContact CE1-CG 4.09Å; F105-Y168 AromaticContact CE1-CZ 3.58Å; F105-Y168 AromaticContact CZ-CD1 3.99Å; F105-Y168 HydrophobicContact CZ-CD1 3.99Å; F105-Y168 HydrophobicContact CZ-CD2 4.46Å; F105-Y168 HydrophobicContact CZ-CE1 4.12Å; F105-Y168 HydrophobicContact CZ-CG 4.17Å; F105-Y170 HydrophobicContact CE2-CD2 4.5Å; F105-Y170 AromaticContact CE2-CE2 3.62Å; F105-Y170 HydrophobicContact CE2-CE2 3.62Å; F105-Y170 AromaticContact CZ-CE2 3.72Å; F105-Y170 HydrophobicContact CZ-CE2 3.72Å
106V98.7Very high90.6Very high0 Ų050.3 Ų50.30%027%0.268CS..EExtended strand (participates in β ladder)trans-120.2113.6169.9-174.30000108.1V72 A74 I84 I104 H108 L119 I126 T127 V128 I129V72-V106 HydrophobicContact CB-CB 4.47Å; V72-V106 HydrophobicContact CB-CG1 4.26Å; V72-V106 HydrophobicContact CB-CG2 4.11Å; V72-V106 HydrophobicContact CG1-CG1 4.45Å; V72-V106 HydrophobicContact CG2-CG2 4.39Å; V72-V106 CarbonylContact O-C 3.52Å; V72-V106 WeakPolarHBondContact O-CA 2.93Å; A74-V106 HydrophobicContact CB-CG1 3.85Å; I84-V106 HydrophobicContact CD1-CG2 3.86Å; I84-V106 HydrophobicContact CG1-CG2 4.27Å; I104-V106 HydrophobicContact CG2-CG2 4.45Å; V106-H108 PolarHBondContact O-N 2.87Å; V106-L119 HydrophobicContact CB-CD2 4.41Å; V106-L119 HydrophobicContact CG1-CD1 3.82Å; V106-L119 HydrophobicContact CG1-CD2 3.78Å; V106-L119 HydrophobicContact CG1-CG 4.47Å; V106-L119 HydrophobicContact CG2-CD2 4.44Å; V106-I126 HydrophobicContact CG2-CB 4.34Å; V106-I126 HydrophobicContact CG2-CD1 3.79Å; V106-T127 PolarHBondContact N-O 3.36Å; V106-V128 CarbonylContact O-C 3.58Å; V106-V128 WeakPolarHBondContact O-CA 3.34Å; V106-I129 PolarHBondContact O-N 2.82Å
107S98.3Very high91.8Very high0 Ų050.3 Ų50.30%027%0.268CS..EExtended strand (participates in β ladder)trans-87104.5173.6-178.60000109.7V72 A74 I129 H156 W159 A160V72-S107 PolarHBondContact O-N 3Å; A74-S107 PolarHBondContact N-O 3.26Å; S107-I129 WeakPolarHBondContact CA-O 3.46Å; S107-H156 PolarHBondContact O-CE1 2.73Å; S107-H156 VanDerWaalsContact O-CE1 3.28Å; S107-H156 PolarHBondContact O-NE2 2.84Å; S107-H156 VanDerWaalsContact O-NE2 3.08Å; S107-H156 PolarHBondContact OG-CD2 3.17Å; S107-H156 PolarHBondContact OG-NE2 3.35Å; S107-W159 WeakPolarHBondContact OG-CZ3 3.32Å; S107-A160 WeakPolarHBondContact OG-CB 3.4Å
108H96.9Very high93.2Very high1 Ų148.6 Ų48.61%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-10396.6179.2-174.6-138.7000109.1A74 C75 V106 C110 L119 V128 I129 K130A74-H108 WeakPolarHBondContact O-CA 3.4Å; C75-H108 PolarHBondContact O-NE2 2.64Å; V106-H108 PolarHBondContact O-N 2.87Å; H108-C110 PolarHBondContact CE1-O 3.39Å; H108-C110 VanDerWaalsContact CE1-O 3.26Å; H108-C110 PolarHBondContact NE2-O 2.74Å; H108-L119 HydrophobicContact CB-CD1 3.67Å; H108-V128 HydrophobicContact CB-CG1 4.16Å; H108-I129 PolarHBondContact N-O 3.49Å; H108-K130 VanDerWaalsContact O-CG 3.29Å; H108-K130 WeakPolarHBondContact O-CG 3.02Å
109A90.6Very high94.8Very high30 Ų3042.1 Ų42.125%0.24823%0.228CC..  trans-102.910.1-170.200000115.2A74 P131 L135 H156A74-A109 PolarHBondContact O-N 3.31Å; A109-P131 HydrophobicContact CB-CG 3.99Å; A109-L135 HydrophobicContact CB-CD1 4.08Å; A109-H156 HydrophobicContact CB-CB 4.29Å; A109-H156 WeakPolarHBondContact CB-CD2 3.29Å; A109-H156 VanDerWaalsContact CB-NE2 3.34Å; A109-H156 WeakPolarHBondContact CB-NE2 3.13Å
110C88.3Confident95.5Very high27 Ų2743.3 Ų43.318%0.18223%0.231CC..SBendtrans-127167.6171.266.10000112.2C75 N76 H108 D112C75-C110 WeakPolarHBondContact CA-SG 3.44Å; C75-C110 HydrophobicContact CB-CB 4.19Å; C75-C110 WeakPolarHBondContact CB-SG 3.24Å; C75-C110 WeakPolarHBondContact SG-CB 3.2Å; C75-C110 CovalentContact SG-SG 2.05Å; C75-C110 PolarHBondContact SG-SG 3.42Å; N76-C110 PolarHBondContact N-SG 2.95Å; H108-C110 PolarHBondContact CE1-O 3.39Å; H108-C110 VanDerWaalsContact CE1-O 3.26Å; H108-C110 PolarHBondContact NE2-O 2.74Å; C110-D112 PolarHBondContact O-N 3.18Å
111D87.6Confident95.9Very high139 Ų13946 Ų4674%0.74325%0.251SS*.  trans-9772.3-177.3-62.5-44.1000109.5K130D111-K130 WeakPolarHBondContact OD1-CE 3.38Å; D111-K130 IonicContact OD1-NZ 2.64Å; D111-K130 PolarHBondContact OD1-NZ 3.12Å
112D94.2Very high96.2Very high43 Ų4343.7 Ų43.723%0.2324%0.24CC..  trans-113.5105.4174.8-177.569.3000110.9N76 C110 A114 T115 E116N76-D112 HydrophobicContact CB-CB 3.95Å; C110-D112 PolarHBondContact O-N 3.18Å; D112-A114 PolarHBondContact O-N 3.46Å; D112-T115 PolarHBondContact O-N 3.32Å; D112-T115 WeakPolarHBondContact OD2-CB 3.44Å; D112-T115 PolarHBondContact OD2-N 3.23Å; D112-T115 PolarHBondContact OD2-OG1 3.08Å; D112-E116 WeakPolarHBondContact O-CB 3.37Å; D112-E116 PolarHBondContact O-N 3.46Å
113D96.3Very high96.2Very high137 Ų13751 Ų5173%0.73327%0.274SS*.Hα-helixtrans-59.5-35-176.7-69.9-22.8000112.8E116 K117D113-E116 PolarHBondContact O-N 3.37Å; D113-K117 WeakPolarHBondContact O-CB 3.5Å; D113-K117 PolarHBondContact O-N 3.02Å
114A97.4Very high96.2Very high52 Ų5257 Ų5743%0.4331%0.305SS..Hα-helixtrans-67.1-45.4-179.100000111.2P78 D112 V118P78-A114 HydrophobicContact CG-CB 3.69Å; D112-A114 PolarHBondContact O-N 3.46Å; A114-V118 PolarHBondContact O-N 2.97Å
115T97.3Very high96.1Very high0 Ų063.3 Ų63.30%033%0.329CS..Hα-helixtrans-68.2-43.2175-56.10000110.5C75 R77 P78 D112 K117 V118 L119C75-T115 WeakPolarHBondContact O-CB 3.05Å; C75-T115 VanDerWaalsContact O-CG2 3.29Å; C75-T115 WeakPolarHBondContact O-CG2 3.41Å; C75-T115 PolarHBondContact O-OG1 3.44Å; R77-T115 PolarHBondContact N-OG1 3.07Å; P78-T115 WeakPolarHBondContact CD-OG1 3.39Å; P78-T115 VanDerWaalsContact N-OG1 3.16Å; D112-T115 PolarHBondContact O-N 3.32Å; D112-T115 WeakPolarHBondContact OD2-CB 3.44Å; D112-T115 PolarHBondContact OD2-N 3.23Å; D112-T115 PolarHBondContact OD2-OG1 3.08Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 2.83Å; T115-V118 WeakPolarHBondContact O-CB 3.44Å; T115-V118 PolarHBondContact O-N 3.28Å; T115-V118 VanDerWaalsContact O-N 3.07Å; T115-L119 HydrophobicContact CG2-CD1 4.18Å; T115-L119 HydrophobicContact CG2-CG 4.21Å; T115-L119 WeakPolarHBondContact O-CG 3.45Å; T115-L119 PolarHBondContact O-N 2.78Å
116E97Very high96.1Very high57 Ų5763.5 Ų63.527%0.26633%0.33SS..Hα-helixtrans-56.1-45.7177.1-177.6149.3-179.600112D112 D113 V118 L119 H120 K130D112-E116 WeakPolarHBondContact O-CB 3.37Å; D112-E116 PolarHBondContact O-N 3.46Å; D113-E116 PolarHBondContact O-N 3.37Å; E116-V118 VanDerWaalsContact C-N 3.33Å; E116-V118 PolarHBondContact O-N 2.79Å; E116-L119 PolarHBondContact O-N 3.47Å; E116-L119 VanDerWaalsContact O-N 3.16Å; E116-H120 WeakPolarHBondContact CG-CD2 3.13Å; E116-H120 VanDerWaalsContact CG-NE2 3.33Å; E116-H120 WeakPolarHBondContact CG-NE2 3.48Å; E116-H120 PolarHBondContact O-CD2 2.97Å; E116-H120 PolarHBondContact O-N 3.42Å; E116-H120 IonicContact OE1-CD2 3.9Å; E116-H120 IonicContact OE1-NE2 2.96Å; E116-H120 PolarHBondContact OE1-NE2 3.21Å; E116-K130 IonicContact OE2-NZ 3.05Å; E116-K130 PolarHBondContact OE2-NZ 3.41Å
117K97.7Very high96.1Very high166 Ų16666.3 Ų66.372%0.72235%0.347SS*.Hα-helixtrans-59.2-41.3175.7-175.1177.5-179.5178.40112.8D113 T115 S121D113-K117 WeakPolarHBondContact O-CB 3.5Å; D113-K117 PolarHBondContact O-N 3.02Å; T115-K117 VanDerWaalsContact C-N 3.32Å; T115-K117 PolarHBondContact O-N 2.83Å; K117-S121 PolarHBondContact O-N 2.91Å
118V98Very high96.1Very high35 Ų3569.1 Ų69.121%0.21236%0.364CS..Hα-helixtrans-63.2-46.3175.2169.20000110.4P78 A114 T115 E116 H120 S121 Y122P78-V118 HydrophobicContact CB-CG2 4.02Å; A114-V118 PolarHBondContact O-N 2.97Å; T115-V118 WeakPolarHBondContact O-CB 3.44Å; T115-V118 PolarHBondContact O-N 3.28Å; T115-V118 VanDerWaalsContact O-N 3.07Å; E116-V118 VanDerWaalsContact C-N 3.33Å; E116-V118 PolarHBondContact O-N 2.79Å; V118-H120 PolarHBondContact O-N 3.15Å; V118-S121 WeakPolarHBondContact O-CB 3.39Å; V118-S121 PolarHBondContact O-N 3.39Å; V118-S121 PolarHBondContact O-OG 2.81Å; V118-Y122 HydrophobicContact CG1-CE2 4.05Å; V118-Y122 VanDerWaalsContact O-CD2 3.3Å; V118-Y122 WeakPolarHBondContact O-CD2 3.48Å
119L98Very high96.1Very high3 Ų369.5 Ų69.52%0.01637%0.366CS..Hα-helixtrans-63.9-42.5-179.2-63-176.8000112.3I84 V106 H108 T115 E116 S121 Y122 I126 V128I84-L119 HydrophobicContact CD1-CD2 3.59Å; V106-L119 HydrophobicContact CB-CD2 4.41Å; V106-L119 HydrophobicContact CG1-CD1 3.82Å; V106-L119 HydrophobicContact CG1-CD2 3.78Å; V106-L119 HydrophobicContact CG1-CG 4.47Å; V106-L119 HydrophobicContact CG2-CD2 4.44Å; H108-L119 HydrophobicContact CB-CD1 3.67Å; T115-L119 HydrophobicContact CG2-CD1 4.18Å; T115-L119 HydrophobicContact CG2-CG 4.21Å; T115-L119 WeakPolarHBondContact O-CG 3.45Å; T115-L119 PolarHBondContact O-N 2.78Å; E116-L119 PolarHBondContact O-N 3.47Å; E116-L119 VanDerWaalsContact O-N 3.16Å; L119-S121 PolarHBondContact O-N 2.96Å; L119-Y122 PolarHBondContact O-N 2.83Å; L119-I126 HydrophobicContact CD2-CD1 4.28Å; L119-V128 HydrophobicContact CB-CG2 3.95Å; L119-V128 HydrophobicContact CD1-CG1 4.25Å
120H96.8Very high96.4Very high118 Ų11871.6 Ų71.655%0.54637%0.37SS..Hα-helixtrans-60.3-31.1175.6-78.6-62.8000113E116 V118 Y122 Q123E116-H120 WeakPolarHBondContact CG-CD2 3.13Å; E116-H120 VanDerWaalsContact CG-NE2 3.33Å; E116-H120 WeakPolarHBondContact CG-NE2 3.48Å; E116-H120 PolarHBondContact O-CD2 2.97Å; E116-H120 PolarHBondContact O-N 3.42Å; E116-H120 IonicContact OE1-CD2 3.9Å; E116-H120 IonicContact OE1-NE2 2.96Å; E116-H120 PolarHBondContact OE1-NE2 3.21Å; V118-H120 PolarHBondContact O-N 3.15Å; H120-Y122 PolarHBondContact O-N 3.08Å; H120-Y122 VanDerWaalsContact O-N 3.16Å; H120-Q123 PolarHBondContact O-N 2.82Å
121S98Very high96.7Very high71 Ų7171.2 Ų71.250%0.49737%0.367SS..THydrogen-bonded Turntrans-63.7-19.9179.281.80000114K117 V118 L119 Q123K117-S121 PolarHBondContact O-N 2.91Å; V118-S121 WeakPolarHBondContact O-CB 3.39Å; V118-S121 PolarHBondContact O-N 3.39Å; V118-S121 PolarHBondContact O-OG 2.81Å; L119-S121 PolarHBondContact O-N 2.96Å; S121-Q123 VanDerWaalsContact C-N 3.32Å
122Y98.3Very high96.9Very high8 Ų874.6 Ų74.63%0.03138%0.375CS..THydrogen-bonded Turntrans-78.7-15.9176.3-70.6-76.2000113.8S81 I84 D85 L88 V118 L119 H120 N124 R125 I126S81-Y122 VanDerWaalsContact CA-OH 3.24Å; S81-Y122 WeakPolarHBondContact CA-OH 3.48Å; S81-Y122 WeakPolarHBondContact CB-OH 3.42Å; S81-Y122 PolarHBondContact O-OH 2.77Å; I84-Y122 HydrophobicContact CB-CE2 4.4Å; I84-Y122 HydrophobicContact CD1-CE2 4.29Å; I84-Y122 HydrophobicContact CG2-CD1 3.94Å; I84-Y122 HydrophobicContact CG2-CD2 4.18Å; I84-Y122 HydrophobicContact CG2-CE1 3.6Å; I84-Y122 HydrophobicContact CG2-CE2 3.85Å; I84-Y122 HydrophobicContact CG2-CG 4.22Å; D85-Y122 VanDerWaalsContact CG-OH 3.3Å; D85-Y122 WeakPolarHBondContact OD1-CE1 3.19Å; D85-Y122 VanDerWaalsContact OD1-CZ 3.3Å; D85-Y122 PolarHBondContact OD1-OH 3.28Å; L88-Y122 HydrophobicContact CD1-CD1 3.54Å; L88-Y122 HydrophobicContact CD1-CE1 3.66Å; V118-Y122 HydrophobicContact CG1-CE2 4.05Å; V118-Y122 VanDerWaalsContact O-CD2 3.3Å; V118-Y122 WeakPolarHBondContact O-CD2 3.48Å; L119-Y122 PolarHBondContact O-N 2.83Å; H120-Y122 PolarHBondContact O-N 3.08Å; H120-Y122 VanDerWaalsContact O-N 3.16Å; Y122-N124 PolarHBondContact O-N 2.88Å; Y122-R125 VanDerWaalsContact O-CB 3.31Å; Y122-R125 WeakPolarHBondContact O-CB 3.28Å; Y122-R125 PolarHBondContact O-N 3.29Å; Y122-R125 VanDerWaalsContact O-N 3.14Å; Y122-R125 PolarHBondContact O-NE 3.37Å; Y122-I126 HydrophobicContact CD2-CD1 3.83Å; Y122-I126 HydrophobicContact CG-CD1 3.93Å; Y122-I126 HydrophobicContact CG-CG1 4.39Å; Y122-I126 HydrophobicContact CG-CG2 4.47Å
123Q96.5Very high96.7Very high154 Ų15477.5 Ų77.572%0.7239%0.394SS*.G310 helixtrans51.9-131.6-179.6-54.5176.24.800111.2H120 S121 R125H120-Q123 PolarHBondContact O-N 2.82Å; S121-Q123 VanDerWaalsContact C-N 3.32Å; Q123-R125 PolarHBondContact O-N 2.91Å
124N96.2Very high96.4Very high147 Ų14776.3 Ų76.379%0.78639%0.394SS*.G310 helixtrans-76.81.3-178.367.1-17.2000114.8Y122 I126Y122-N124 PolarHBondContact O-N 2.88Å; N124-I126 VanDerWaalsContact C-N 3.26Å; N124-I126 PolarHBondContact O-N 2.8Å
125R97.7Very high96.2Very high136 Ų13676 Ų7651%0.51339%0.385SS..G310 helixtrans-73.9-21177.4-62.8-174.9-69.8165-2.3112.6L88 Y122 Q123L88-R125 HydrophobicContact CD1-CB 4.42Å; L88-R125 HydrophobicContact CD2-CB 3.86Å; Y122-R125 VanDerWaalsContact O-CB 3.31Å; Y122-R125 WeakPolarHBondContact O-CB 3.28Å; Y122-R125 PolarHBondContact O-N 3.29Å; Y122-R125 VanDerWaalsContact O-N 3.14Å; Y122-R125 PolarHBondContact O-NE 3.37Å; Q123-R125 PolarHBondContact O-N 2.91Å
126I98.4Very high95.8Very high10 Ų1076.5 Ų76.55%0.05139%0.388CS..SBendtrans-130.8162.717467.6176.2000109.6I84 I104 V106 L119 Y122 N124 V128I84-I126 HydrophobicContact CG2-CG2 3.92Å; I104-I126 HydrophobicContact CB-CG2 4.15Å; I104-I126 HydrophobicContact CG2-CB 4.42Å; I104-I126 HydrophobicContact CG2-CG2 3.86Å; I104-I126 CarbonylContact O-C 3.56Å; I104-I126 WeakPolarHBondContact O-CA 3.17Å; V106-I126 HydrophobicContact CG2-CB 4.34Å; V106-I126 HydrophobicContact CG2-CD1 3.79Å; L119-I126 HydrophobicContact CD2-CD1 4.28Å; Y122-I126 HydrophobicContact CD2-CD1 3.83Å; Y122-I126 HydrophobicContact CG-CD1 3.93Å; Y122-I126 HydrophobicContact CG-CG1 4.39Å; Y122-I126 HydrophobicContact CG-CG2 4.47Å; N124-I126 VanDerWaalsContact C-N 3.26Å; N124-I126 PolarHBondContact O-N 2.8Å; I126-V128 HydrophobicContact CD1-CG2 3.87Å; I126-V128 HydrophobicContact CG1-CG2 4.18Å
127T98.4Very high95.2Very high58 Ų5880 Ų8036%0.35641%0.409SS..EExtended strand (participates in β ladder)trans-113.2110.7169.3-60.30000109.2I104 F105 V106 I129I104-T127 PolarHBondContact O-N 2.91Å; F105-T127 CarbonylContact C-O 3.59Å; F105-T127 VanDerWaalsContact CA-O 3.26Å; F105-T127 WeakPolarHBondContact CA-O 3.36Å; F105-T127 HydrophobicContact CD1-CG2 3.82Å; F105-T127 HydrophobicContact CE1-CG2 3.74Å; V106-T127 PolarHBondContact N-O 3.36Å; T127-I129 HydrophobicContact CG2-CG2 4.26Å
128V98Very high94Very high60 Ų6078 Ų7836%0.36441%0.412SS..EExtended strand (participates in β ladder)trans-83.8127.1176.4-175.70000109.2V106 H108 L119 I126V106-V128 CarbonylContact O-C 3.58Å; V106-V128 WeakPolarHBondContact O-CA 3.34Å; H108-V128 HydrophobicContact CB-CG1 4.16Å; L119-V128 HydrophobicContact CB-CG2 3.95Å; L119-V128 HydrophobicContact CD1-CG1 4.25Å; I126-V128 HydrophobicContact CD1-CG2 3.87Å; I126-V128 HydrophobicContact CG1-CG2 4.18Å
129I97.8Very high92.9Very high9 Ų979 Ų795%0.04642%0.418CS..EExtended strand (participates in β ladder)trans-117.5129.9174.760.6178.1000109.2L71 F105 V106 S107 H108 T127 W159 Q163 Y168L71-I129 HydrophobicContact CD1-CD1 4.22Å; F105-I129 HydrophobicContact CD1-CG2 4.19Å; V106-I129 PolarHBondContact O-N 2.82Å; S107-I129 WeakPolarHBondContact CA-O 3.46Å; H108-I129 PolarHBondContact N-O 3.49Å; T127-I129 HydrophobicContact CG2-CG2 4.26Å; I129-W159 HydrophobicContact CB-CH2 4.04Å; I129-W159 HydrophobicContact CB-CZ3 4.36Å; I129-W159 HydrophobicContact CD1-CZ3 4.19Å; I129-W159 HydrophobicContact CG1-CH2 4.21Å; I129-W159 HydrophobicContact CG1-CZ3 4.01Å; I129-Q163 HydrophobicContact CD1-CB 3.81Å; I129-Q163 HydrophobicContact CD1-CG 4.07Å; I129-Y168 HydrophobicContact CG2-CE2 4.02Å
130K96.3Very high91.4Very high74 Ų7488.6 Ų88.632%0.32246%0.463SS..  trans-132.2134.1-177.1-177.6161.8-174.4179.10110.4H108 D111 E116H108-K130 VanDerWaalsContact O-CG 3.29Å; H108-K130 WeakPolarHBondContact O-CG 3.02Å; D111-K130 WeakPolarHBondContact OD1-CE 3.38Å; D111-K130 IonicContact OD1-NZ 2.64Å; D111-K130 PolarHBondContact OD1-NZ 3.12Å; E116-K130 IonicContact OE2-NZ 3.05Å; E116-K130 PolarHBondContact OE2-NZ 3.41Å
131P95Very high90Very high18 Ų1886.3 Ų86.312%0.11746%0.461CS..  trans-59.1137.5170.5-20.131000110.9A109 T133 L135 W159A109-P131 HydrophobicContact CB-CG 3.99Å; P131-T133 VanDerWaalsContact C-N 3.28Å; P131-T133 WeakPolarHBondContact CB-O 3.49Å; P131-L135 HydrophobicContact CB-CD2 3.71Å; P131-L135 HydrophobicContact CB-CG 4.01Å; P131-L135 HydrophobicContact CG-CD1 3.8Å; P131-L135 HydrophobicContact CG-CD2 3.75Å; P131-L135 HydrophobicContact CG-CG 3.75Å; P131-W159 HydrophobicContact CB-CD2 4.41Å; P131-W159 HydrophobicContact CB-CZ2 4.18Å; P131-W159 HydrophobicContact CG-CD2 3.79Å; P131-W159 HydrophobicContact CG-CE3 3.84Å; P131-W159 HydrophobicContact CG-CG 4.43Å; P131-W159 HydrophobicContact CG-CH2 4.07Å; P131-W159 HydrophobicContact CG-CZ2 4.01Å; P131-W159 HydrophobicContact CG-CZ3 3.98Å
132K91.8Very high88.4Confident211 Ų21189.1 Ų89.192%0.91748%0.48SS*.SBendtrans-76.9-16.3175.8-67.8-177.8177.8-179.90113.6
133T90.4Very high87Confident104 Ų10491 Ų9164%0.63849%0.493SS*.SBendtrans-139.4154.8-178.253.50000108.6P131 L135P131-T133 VanDerWaalsContact C-N 3.28Å; P131-T133 WeakPolarHBondContact CB-O 3.49Å; T133-L135 PolarHBondContact O-N 2.88Å
134P89.8Confident86.1Confident112 Ų11287 Ų8773%0.72748%0.482SS*.  trans-53.6132.7175-26.135.2000111.4T136P134-T136 VanDerWaalsContact C-N 3.25Å; P134-T136 PolarHBondContact O-N 3.27Å
135L92.3Very high85.4Confident45 Ų4589.5 Ų89.524%0.23649%0.485CS..SBendtrans-73.4-18.4-178.2-65.5-179.6000113.6A109 P131 T133 H155 H156 W159A109-L135 HydrophobicContact CB-CD1 4.08Å; P131-L135 HydrophobicContact CB-CD2 3.71Å; P131-L135 HydrophobicContact CB-CG 4.01Å; P131-L135 HydrophobicContact CG-CD1 3.8Å; P131-L135 HydrophobicContact CG-CD2 3.75Å; P131-L135 HydrophobicContact CG-CG 3.75Å; T133-L135 PolarHBondContact O-N 2.88Å; L135-H155 HydrophobicContact CB-CB 4.1Å; L135-H155 PolarHBondContact O-ND1 3.07Å; L135-H156 HydrophobicContact CD1-CB 4.2Å; L135-W159 HydrophobicContact CD1-CB 3.88Å; L135-W159 HydrophobicContact CD1-CG 4.26Å; L135-W159 HydrophobicContact CD2-CB 3.71Å; L135-W159 HydrophobicContact CD2-CD2 4.27Å; L135-W159 HydrophobicContact CD2-CG 3.54Å; L135-W159 HydrophobicContact CG-CB 4.47Å
136T89Confident84.6Confident10 Ų1086 Ų866%0.06148%0.479CS..SBendtrans-130146.4178.256.80000109.4P134 H152 H155P134-T136 VanDerWaalsContact C-N 3.25Å; P134-T136 PolarHBondContact O-N 3.27Å; T136-H152 PolarHBondContact OG1-CE1 2.92Å; T136-H152 PolarHBondContact OG1-ND1 3.43Å; T136-H152 VanDerWaalsContact OG1-ND1 3.13Å; T136-H155 HydrophobicContact CG2-CB 3.8Å
137N84.2Confident84Confident132 Ų13288.4 Ų88.471%0.70649%0.489SS*.PPolyproline II helixtrans-78.5143.3169.1-66.8-29.6000109.7V139N137-V139 PolarHBondContact O-N 3.15Å
138P74.2Confident83.5Confident123 Ų12387 Ų8780%0.79948%0.479SS*.PPolyproline II helixtrans-57.2128.5170.4-20.931.6000110.4
139V73.9Confident83.1Confident55 Ų5584.8 Ų84.833%0.33347%0.467SS..PPolyproline II helixtrans-79.4128.2174.3-177.30000108.6N137 S141 T143 E148 R151N137-V139 PolarHBondContact O-N 3.15Å; V139-S141 VanDerWaalsContact C-N 3.27Å; V139-S141 WeakPolarHBondContact CG1-OG 3.45Å; V139-S141 PolarHBondContact O-N 3.41Å; V139-T143 HydrophobicContact CG1-CG2 4.25Å; V139-T143 WeakPolarHBondContact CG1-OG1 3.48Å; V139-E148 WeakPolarHBondContact CB-OE1 3.38Å; V139-E148 WeakPolarHBondContact CG2-OE1 3.24Å; V139-R151 VanDerWaalsContact CG2-NH1 3.31Å
140Q67Low82.8Confident206 Ų20686.5 Ų86.596%0.96347%0.474SS*.SBendtrans-71.1-20.9-178.1-69.1-179.66.400113.4
141S66.9Low82.7Confident70 Ų7084.1 Ų84.149%0.4946%0.463SS..SBendtrans-81.8162.6-178.462.80000112.7V139 T143V139-S141 VanDerWaalsContact C-N 3.27Å; V139-S141 WeakPolarHBondContact CG1-OG 3.45Å; V139-S141 PolarHBondContact O-N 3.41Å; S141-T143 PolarHBondContact O-N 3.1Å; S141-T143 PolarHBondContact O-OG1 3.33Å
142S64.9Low82.6Confident130 Ų13087.9 Ų87.991%0.90948%0.479SS*.  trans-67.948.6168.162.30000112.9
143T67.9Low82.7Confident48 Ų4880 Ų8029%0.29445%0.448SS..  trans-64.3144.9170.529.50000109.3V139 S141 F147 E148V139-T143 HydrophobicContact CG1-CG2 4.25Å; V139-T143 WeakPolarHBondContact CG1-OG1 3.48Å; S141-T143 PolarHBondContact O-N 3.1Å; S141-T143 PolarHBondContact O-OG1 3.33Å; T143-F147 HydrophobicContact CG2-CD1 3.68Å; T143-F147 HydrophobicContact CG2-CE1 3.88Å; T143-F147 HydrophobicContact CG2-CG 4.44Å; T143-E148 PolarHBondContact OG1-OE1 3.38Å
144S77.4Confident83Confident70 Ų7075 Ų7549%0.4942%0.417SS..  trans-65.6144.1-179.373.70000110.2V146 F147 E148S144-V146 PolarHBondContact O-N 2.82Å; S144-V146 VanDerWaalsContact O-N 3.07Å; S144-F147 WeakPolarHBondContact O-CB 3Å; S144-F147 PolarHBondContact O-N 3.4Å; S144-F147 WeakPolarHBondContact OG-CB 3.34Å; S144-F147 PolarHBondContact OG-N 3.02Å; S144-F147 VanDerWaalsContact OG-N 3.17Å; S144-E148 PolarHBondContact O-N 3.08Å
145K81.3Confident83.4Confident198 Ų19872 Ų7286%0.86139%0.394SS*.Hα-helixtrans-53.2-31.2173.7-68.8-175.7177.7-1780112.6G149K145-G149 PolarHBondContact O-N 3.11Å
146V81.4Confident83.6Confident63 Ų6370.6 Ų70.638%0.38239%0.386SS..Hα-helixtrans-64.5-44.8176.3176.10000110.8S144 G149 Y150S144-V146 PolarHBondContact O-N 2.82Å; S144-V146 VanDerWaalsContact O-N 3.07Å; V146-G149 PolarHBondContact O-N 3.29Å; V146-Y150 HydrophobicContact CG1-CD2 3.89Å; V146-Y150 HydrophobicContact CG1-CE2 3.5Å; V146-Y150 WeakPolarHBondContact O-CD2 3.49Å; V146-Y150 PolarHBondContact O-N 2.9Å; V146-Y150 VanDerWaalsContact O-N 3.11Å
147F85.4Confident84.1Confident60 Ų6070.3 Ų70.326%0.26338%0.384SS..Hα-helixtrans-60.8-48.2177.3-178.7-97.7000111.7T143 S144 G149 Y150 R151 I254T143-F147 HydrophobicContact CG2-CD1 3.68Å; T143-F147 HydrophobicContact CG2-CE1 3.88Å; T143-F147 HydrophobicContact CG2-CG 4.44Å; S144-F147 WeakPolarHBondContact O-CB 3Å; S144-F147 PolarHBondContact O-N 3.4Å; S144-F147 WeakPolarHBondContact OG-CB 3.34Å; S144-F147 PolarHBondContact OG-N 3.02Å; S144-F147 VanDerWaalsContact OG-N 3.17Å; F147-G149 VanDerWaalsContact C-N 3.28Å; F147-G149 PolarHBondContact O-N 3.47Å; F147-Y150 PolarHBondContact O-N 2.9Å; F147-Y150 VanDerWaalsContact O-N 3.16Å; F147-R151 HydrophobicContact CD1-CG 4.3Å; F147-R151 HydrophobicContact CE1-CG 4.1Å; F147-R151 HydrophobicContact CZ-CG 4.48Å; F147-R151 WeakPolarHBondContact O-CG 3.45Å; F147-R151 PolarHBondContact O-N 3.29Å; F147-I254 HydrophobicContact CD2-CD1 4.2Å; F147-I254 HydrophobicContact CE2-CD1 3.56Å; F147-I254 HydrophobicContact CE2-CG2 4.25Å; F147-I254 HydrophobicContact CZ-CD1 4.34Å; F147-I254 HydrophobicContact CZ-CG2 4.43Å
148E87.8Confident84.8Confident30 Ų3067 Ų6714%0.1436%0.363CS..Hα-helixtrans-60.6-38.1175.7-65-50.3134.900112V139 T143 S144 Y150 R151 H152V139-E148 WeakPolarHBondContact CB-OE1 3.38Å; V139-E148 WeakPolarHBondContact CG2-OE1 3.24Å; T143-E148 PolarHBondContact OG1-OE1 3.38Å; S144-E148 PolarHBondContact O-N 3.08Å; E148-Y150 PolarHBondContact O-N 2.98Å; E148-R151 WeakPolarHBondContact O-CB 3.16Å; E148-R151 PolarHBondContact O-N 2.71Å; E148-R151 VanDerWaalsContact O-N 3.14Å; E148-R151 IonicContact OE2-CZ 3.4Å; E148-R151 IonicContact OE2-NH1 3.55Å; E148-R151 PolarHBondContact OE2-NH1 2.84Å; E148-H152 PolarHBondContact O-CD2 2.74Å; E148-H152 PolarHBondContact O-N 2.87Å
149G89.9Confident85.9Confident12 Ų1263.5 Ų63.512%0.12433%0.334CS..Hα-helixtrans-55.5-49.5173.100000112.6K145 V146 F147 R151 H152 V153 I287K145-G149 PolarHBondContact O-N 3.11Å; V146-G149 PolarHBondContact O-N 3.29Å; F147-G149 VanDerWaalsContact C-N 3.28Å; F147-G149 PolarHBondContact O-N 3.47Å; G149-R151 VanDerWaalsContact C-N 3.28Å; G149-R151 PolarHBondContact O-N 2.86Å; G149-H152 PolarHBondContact O-N 2.82Å; G149-V153 WeakPolarHBondContact O-CG2 3.4Å; G149-V153 PolarHBondContact O-N 3.25Å; G149-V153 VanDerWaalsContact O-N 3.08Å; G149-I287 WeakPolarHBondContact O-CD1 3.32Å
150Y91.9Very high87.1Confident45 Ų4560.9 Ų60.918%0.17632%0.318CS..Hα-helixtrans-63.6-33.5177.1-74.7-67.1000112.7V146 F147 E148 S154 Y255 I287 S288V146-Y150 HydrophobicContact CG1-CD2 3.89Å; V146-Y150 HydrophobicContact CG1-CE2 3.5Å; V146-Y150 WeakPolarHBondContact O-CD2 3.49Å; V146-Y150 PolarHBondContact O-N 2.9Å; V146-Y150 VanDerWaalsContact O-N 3.11Å; F147-Y150 PolarHBondContact O-N 2.9Å; F147-Y150 VanDerWaalsContact O-N 3.16Å; E148-Y150 PolarHBondContact O-N 2.98Å; Y150-S154 PolarHBondContact O-N 2.74Å; Y150-S154 VanDerWaalsContact O-N 3.07Å; Y150-Y255 AromaticContact CD1-CD1 3.79Å; Y150-Y255 HydrophobicContact CD1-CD1 3.79Å; Y150-Y255 AromaticContact CD1-CE1 3.6Å; Y150-Y255 HydrophobicContact CD1-CE1 3.6Å; Y150-Y255 HydrophobicContact CD2-CD1 4.49Å; Y150-Y255 AromaticContact CD2-CE1 3.54Å; Y150-Y255 HydrophobicContact CD2-CE1 3.54Å; Y150-Y255 HydrophobicContact CE1-CD1 4.11Å; Y150-Y255 AromaticContact CE1-CE1 3.79Å; Y150-Y255 HydrophobicContact CE1-CE1 3.79Å; Y150-Y255 AromaticContact CE2-CE1 3.74Å; Y150-Y255 HydrophobicContact CE2-CE1 3.74Å; Y150-Y255 AromaticContact CG-CD1 4Å; Y150-Y255 HydrophobicContact CG-CD1 4Å; Y150-Y255 AromaticContact CG-CE1 3.47Å; Y150-Y255 HydrophobicContact CG-CE1 3.47Å; Y150-Y255 VanDerWaalsContact CG-CE1 3.47Å; Y150-Y255 AromaticContact CZ-CE1 3.87Å; Y150-I287 HydrophobicContact CD1-CG2 4.11Å; Y150-I287 HydrophobicContact CD2-CG2 3.82Å; Y150-I287 HydrophobicContact CE1-CG2 4.1Å; Y150-I287 HydrophobicContact CE2-CG2 3.81Å; Y150-I287 HydrophobicContact CG-CG2 3.98Å; Y150-S288 WeakPolarHBondContact OH-CA 3.49Å
151R93.3Very high88.6Confident24 Ų2451.1 Ų51.19%0.09127%0.272CS..Hα-helixtrans-63.9-51.4173.6-69.5-176.170.2-115-6.5111.8V139 F147 E148 G149 V153 S154 H155 D253 I254V139-R151 VanDerWaalsContact CG2-NH1 3.31Å; F147-R151 HydrophobicContact CD1-CG 4.3Å; F147-R151 HydrophobicContact CE1-CG 4.1Å; F147-R151 HydrophobicContact CZ-CG 4.48Å; F147-R151 WeakPolarHBondContact O-CG 3.45Å; F147-R151 PolarHBondContact O-N 3.29Å; E148-R151 WeakPolarHBondContact O-CB 3.16Å; E148-R151 PolarHBondContact O-N 2.71Å; E148-R151 VanDerWaalsContact O-N 3.14Å; E148-R151 IonicContact OE2-CZ 3.4Å; E148-R151 IonicContact OE2-NH1 3.55Å; E148-R151 PolarHBondContact OE2-NH1 2.84Å; G149-R151 VanDerWaalsContact C-N 3.28Å; G149-R151 PolarHBondContact O-N 2.86Å; R151-V153 VanDerWaalsContact C-N 3.27Å; R151-V153 PolarHBondContact O-N 3.2Å; R151-S154 PolarHBondContact O-N 3.03Å; R151-S154 VanDerWaalsContact O-N 3.15Å; R151-H155 PolarHBondContact O-CD2 2.74Å; R151-H155 VanDerWaalsContact O-CD2 3.23Å; R151-H155 PolarHBondContact O-N 3.37Å; R151-D253 WeakPolarHBondContact CA-O 3.36Å; R151-D253 WeakPolarHBondContact CD-OD2 3.4Å; R151-D253 WeakPolarHBondContact CG-OD2 3.38Å; R151-D253 IonicContact CZ-OD1 2.86Å; R151-D253 IonicContact CZ-OD2 2.85Å; R151-D253 IonicContact NE-OD1 3.96Å; R151-D253 PolarHBondContact NE-OD1 2.78Å; R151-D253 IonicContact NE-OD2 2.97Å; R151-D253 PolarHBondContact NE-OD2 3.04Å; R151-D253 IonicContact NH2-OD1 3.37Å; R151-D253 PolarHBondContact NH2-OD1 2.85Å; R151-D253 VanDerWaalsContact NH2-OD1 3.15Å; R151-D253 IonicContact NH2-OD2 2.83Å; R151-I254 HydrophobicContact CB-CG2 4.14Å; R151-I254 HydrophobicContact CG-CG2 3.19Å
152H93.5Very high90.1Very high97 Ų9749 Ų4945%0.44926%0.256SS..Hα-helixtrans-54.5-45.6177.8-76.1-66.7000111.6T136 E148 G149 H155 H156T136-H152 PolarHBondContact OG1-CE1 2.92Å; T136-H152 PolarHBondContact OG1-ND1 3.43Å; T136-H152 VanDerWaalsContact OG1-ND1 3.13Å; E148-H152 PolarHBondContact O-CD2 2.74Å; E148-H152 PolarHBondContact O-N 2.87Å; G149-H152 PolarHBondContact O-N 2.82Å; H152-H155 PolarHBondContact O-N 3.29Å; H152-H156 WeakPolarHBondContact O-CB 3.43Å; H152-H156 PolarHBondContact O-N 2.85Å
153V94.8Very high91.7Very high45 Ų4544.9 Ų44.927%0.27322%0.222SC..Hα-helixtrans-61.6-48.2177.51740000111.6G149 R151 H155 H156 Y157 I287G149-V153 WeakPolarHBondContact O-CG2 3.4Å; G149-V153 PolarHBondContact O-N 3.25Å; G149-V153 VanDerWaalsContact O-N 3.08Å; R151-V153 VanDerWaalsContact C-N 3.27Å; R151-V153 PolarHBondContact O-N 3.2Å; V153-H155 VanDerWaalsContact C-N 3.35Å; V153-H155 PolarHBondContact O-N 3.49Å; V153-H156 PolarHBondContact O-N 3.18Å; V153-Y157 HydrophobicContact CG1-CD2 3.9Å; V153-Y157 HydrophobicContact CG1-CE2 3.88Å; V153-Y157 WeakPolarHBondContact O-CD2 3.4Å; V153-Y157 PolarHBondContact O-N 3.37Å; V153-I287 HydrophobicContact CG2-CD1 3.3Å
154S97Very high93.2Very high0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-58.8-46.6-179.5-163.80000112.2Y150 R151 Y157 K158 W251 P252 D253Y150-S154 PolarHBondContact O-N 2.74Å; Y150-S154 VanDerWaalsContact O-N 3.07Å; R151-S154 PolarHBondContact O-N 3.03Å; R151-S154 VanDerWaalsContact O-N 3.15Å; S154-Y157 PolarHBondContact O-N 2.77Å; S154-K158 PolarHBondContact O-N 2.72Å; S154-K158 VanDerWaalsContact O-N 3.13Å; S154-W251 PolarHBondContact O-NE1 3.35Å; S154-W251 PolarHBondContact OG-NE1 3.07Å; S154-P252 PolarHBondContact OG-O 3.22Å; S154-D253 VanDerWaalsContact CB-O 3.22Å; S154-D253 WeakPolarHBondContact CB-O 3.3Å
155H97.1Very high94.2Very high50 Ų5039.2 Ų39.223%0.23119%0.185CC..Hα-helixtrans-69.3-34.2179.5-77.4-106.8000112.5L135 T136 R151 H152 V153 K158 W159 D253L135-H155 HydrophobicContact CB-CB 4.1Å; L135-H155 PolarHBondContact O-ND1 3.07Å; T136-H155 HydrophobicContact CG2-CB 3.8Å; R151-H155 PolarHBondContact O-CD2 2.74Å; R151-H155 VanDerWaalsContact O-CD2 3.23Å; R151-H155 PolarHBondContact O-N 3.37Å; H152-H155 PolarHBondContact O-N 3.29Å; V153-H155 VanDerWaalsContact C-N 3.35Å; V153-H155 PolarHBondContact O-N 3.49Å; H155-K158 PolarHBondContact O-N 3.14Å; H155-W159 WeakPolarHBondContact O-CB 3.4Å; H155-W159 PolarHBondContact O-N 3.21Å; H155-D253 IonicContact CD2-OD1 3.09Å; H155-D253 IonicContact CE1-OD1 2.95Å; H155-D253 IonicContact NE2-OD1 3.42Å; H155-D253 PolarHBondContact NE2-OD1 3.1Å
156H97.6Very high95Very high14 Ų1433.6 Ų33.67%0.06516%0.162CC..Hα-helixtrans-61.4-49.9174-176.6-173.4000111.4I73 A74 S107 A109 L135 H152 V153 K158 W159 A160I73-H156 VanDerWaalsContact CG2-CE1 3.44Å; I73-H156 WeakPolarHBondContact CG2-CE1 3.49Å; A74-H156 PolarHBondContact O-CE1 2.98Å; A74-H156 VanDerWaalsContact O-CE1 3.28Å; S107-H156 PolarHBondContact O-CE1 2.73Å; S107-H156 VanDerWaalsContact O-CE1 3.28Å; S107-H156 PolarHBondContact O-NE2 2.84Å; S107-H156 VanDerWaalsContact O-NE2 3.08Å; S107-H156 PolarHBondContact OG-CD2 3.17Å; S107-H156 PolarHBondContact OG-NE2 3.35Å; A109-H156 HydrophobicContact CB-CB 4.29Å; A109-H156 WeakPolarHBondContact CB-CD2 3.29Å; A109-H156 VanDerWaalsContact CB-NE2 3.34Å; A109-H156 WeakPolarHBondContact CB-NE2 3.13Å; L135-H156 HydrophobicContact CD1-CB 4.2Å; H152-H156 WeakPolarHBondContact O-CB 3.43Å; H152-H156 PolarHBondContact O-N 2.85Å; V153-H156 PolarHBondContact O-N 3.18Å; H156-K158 VanDerWaalsContact C-N 3.31Å; H156-K158 PolarHBondContact O-N 3.06Å; H156-W159 PolarHBondContact O-N 3.22Å; H156-A160 VanDerWaalsContact O-CB 3.26Å; H156-A160 WeakPolarHBondContact O-CB 3.32Å; H156-A160 PolarHBondContact O-N 3.4Å
157Y98.4Very high95.7Very high4 Ų435.1 Ų35.12%0.01617%0.172CC..Hα-helixtrans-56.7-46.2174.7-90.5-102.6000111.7I73 V153 S154 W159 A160 L161 I175 E177 W237 W256I73-Y157 HydrophobicContact CB-CE2 4.49Å; I73-Y157 HydrophobicContact CG1-CE1 4.24Å; I73-Y157 HydrophobicContact CG1-CE2 4.24Å; I73-Y157 HydrophobicContact CG2-CD2 4.34Å; I73-Y157 HydrophobicContact CG2-CE2 3.9Å; V153-Y157 HydrophobicContact CG1-CD2 3.9Å; V153-Y157 HydrophobicContact CG1-CE2 3.88Å; V153-Y157 WeakPolarHBondContact O-CD2 3.4Å; V153-Y157 PolarHBondContact O-N 3.37Å; S154-Y157 PolarHBondContact O-N 2.77Å; Y157-W159 PolarHBondContact O-N 3.21Å; Y157-A160 PolarHBondContact O-N 3.4Å; Y157-L161 WeakPolarHBondContact O-CB 3.4Å; Y157-L161 VanDerWaalsContact O-CG 3.24Å; Y157-L161 WeakPolarHBondContact O-CG 3.43Å; Y157-L161 PolarHBondContact O-N 2.99Å; Y157-I175 HydrophobicContact CE1-CG2 3.86Å; Y157-E177 WeakPolarHBondContact OH-CG 3.35Å; Y157-W237 HydrophobicContact CD1-CZ2 4.48Å; Y157-W237 HydrophobicContact CE1-CZ2 4.22Å; Y157-W256 HydrophobicContact CD1-CD2 4.27Å; Y157-W256 AromaticContact CD1-CE2 3.94Å; Y157-W256 HydrophobicContact CD1-CH2 4.23Å; Y157-W256 AromaticContact CD1-CZ2 3.95Å; Y157-W256 HydrophobicContact CD1-CZ2 3.95Å; Y157-W256 HydrophobicContact CD1-CZ3 4.49Å; Y157-W256 AromaticContact CD2-CE2 3.92Å; Y157-W256 HydrophobicContact CD2-CZ2 4.33Å; Y157-W256 AromaticContact CD2-NE1 3.55Å; Y157-W256 AromaticContact CE1-CE2 3.82Å; Y157-W256 AromaticContact CE1-CH2 3.65Å; Y157-W256 HydrophobicContact CE1-CH2 3.65Å; Y157-W256 AromaticContact CE1-CZ2 3.36Å; Y157-W256 HydrophobicContact CE1-CZ2 3.36Å; Y157-W256 HydrophobicContact CE1-CZ3 4.32Å; Y157-W256 AromaticContact CE2-CE2 3.8Å; Y157-W256 AromaticContact CE2-CZ2 3.81Å; Y157-W256 HydrophobicContact CE2-CZ2 3.81Å; Y157-W256 AromaticContact CE2-NE1 3.58Å; Y157-W256 HydrophobicContact CG-CD2 4.31Å; Y157-W256 AromaticContact CG-CE2 3.99Å; Y157-W256 HydrophobicContact CG-CZ2 4.38Å; Y157-W256 AromaticContact CG-NE1 3.97Å; Y157-W256 AromaticContact CZ-CE2 3.75Å; Y157-W256 AromaticContact CZ-CZ2 3.29Å
158K98.4Very high96.3Very high64 Ų6436.9 Ų36.928%0.27818%0.177SC..Hα-helixtrans-57.3-52.4178.9-170.8178-176.1174.60111.9S154 H155 H156 D162 W244 R248 W251S154-K158 PolarHBondContact O-N 2.72Å; S154-K158 VanDerWaalsContact O-N 3.13Å; H155-K158 PolarHBondContact O-N 3.14Å; H156-K158 VanDerWaalsContact C-N 3.31Å; H156-K158 PolarHBondContact O-N 3.06Å; K158-D162 WeakPolarHBondContact O-CB 3.1Å; K158-D162 PolarHBondContact O-N 2.81Å; K158-W244 HydrophobicContact CB-CH2 4.46Å; K158-W244 HydrophobicContact CG-CH2 4.14Å; K158-W244 HydrophobicContact CG-CZ2 4.36Å; K158-R248 WeakPolarHBondContact CE-O 3.46Å; K158-W251 HydrophobicContact CB-CG 4.14Å; K158-W251 HydrophobicContact CD-CB 4.02Å; K158-W251 HydrophobicContact CD-CG 4.11Å; K158-W251 HydrophobicContact CG-CB 4.38Å; K158-W251 HydrophobicContact CG-CG 4.14Å
159W98.3Very high96.7Very high49 Ų4940.1 Ų40.119%0.18620%0.195CC..Hα-helixtrans-62.3-46.9-178.5179.386.9000111.7S107 I129 P131 L135 H155 H156 Y157 L161 D162 Q163S107-W159 WeakPolarHBondContact OG-CZ3 3.32Å; I129-W159 HydrophobicContact CB-CH2 4.04Å; I129-W159 HydrophobicContact CB-CZ3 4.36Å; I129-W159 HydrophobicContact CD1-CZ3 4.19Å; I129-W159 HydrophobicContact CG1-CH2 4.21Å; I129-W159 HydrophobicContact CG1-CZ3 4.01Å; P131-W159 HydrophobicContact CB-CD2 4.41Å; P131-W159 HydrophobicContact CB-CZ2 4.18Å; P131-W159 HydrophobicContact CG-CD2 3.79Å; P131-W159 HydrophobicContact CG-CE3 3.84Å; P131-W159 HydrophobicContact CG-CG 4.43Å; P131-W159 HydrophobicContact CG-CH2 4.07Å; P131-W159 HydrophobicContact CG-CZ2 4.01Å; P131-W159 HydrophobicContact CG-CZ3 3.98Å; L135-W159 HydrophobicContact CD1-CB 3.88Å; L135-W159 HydrophobicContact CD1-CG 4.26Å; L135-W159 HydrophobicContact CD2-CB 3.71Å; L135-W159 HydrophobicContact CD2-CD2 4.27Å; L135-W159 HydrophobicContact CD2-CG 3.54Å; L135-W159 HydrophobicContact CG-CB 4.47Å; H155-W159 WeakPolarHBondContact O-CB 3.4Å; H155-W159 PolarHBondContact O-N 3.21Å; H156-W159 PolarHBondContact O-N 3.22Å; Y157-W159 PolarHBondContact O-N 3.21Å; W159-L161 PolarHBondContact O-N 3.41Å; W159-D162 PolarHBondContact O-N 2.76Å; W159-Q163 HydrophobicContact CD2-CG 4Å; W159-Q163 HydrophobicContact CE3-CG 4.01Å; W159-Q163 HydrophobicContact CH2-CG 3.64Å; W159-Q163 HydrophobicContact CZ2-CG 3.63Å; W159-Q163 HydrophobicContact CZ3-CG 3.83Å; W159-Q163 WeakPolarHBondContact O-CG 3.47Å; W159-Q163 PolarHBondContact O-N 3.48Å
160A98.6Very high97.1Very high0 Ų042.3 Ų42.30%020%0.2CC..Hα-helixtrans-64.6-41.1-177.200000111.7L71 I73 S107 H156 Y157 Q163 I164L71-A160 HydrophobicContact CD1-CB 4.37Å; L71-A160 HydrophobicContact CD2-CB 3.87Å; I73-A160 HydrophobicContact CD1-CB 3.76Å; S107-A160 WeakPolarHBondContact OG-CB 3.4Å; H156-A160 VanDerWaalsContact O-CB 3.26Å; H156-A160 WeakPolarHBondContact O-CB 3.32Å; H156-A160 PolarHBondContact O-N 3.4Å; Y157-A160 PolarHBondContact O-N 3.4Å; A160-Q163 WeakPolarHBondContact O-CB 3.48Å; A160-Q163 PolarHBondContact O-N 2.86Å; A160-I164 WeakPolarHBondContact O-CG1 3Å; A160-I164 PolarHBondContact O-N 3.47Å; A160-I164 VanDerWaalsContact O-N 3.15Å
161L98.7Very high97.3Very high0 Ų043.3 Ų43.30%021%0.214CC..Hα-helixtrans-67-39.4175.5-70.3168.3000112L71 Y157 W159 Q163 I164 F165 V173 I175 L239 W244L71-L161 HydrophobicContact CD2-CD2 4.22Å; Y157-L161 WeakPolarHBondContact O-CB 3.4Å; Y157-L161 VanDerWaalsContact O-CG 3.24Å; Y157-L161 WeakPolarHBondContact O-CG 3.43Å; Y157-L161 PolarHBondContact O-N 2.99Å; W159-L161 PolarHBondContact O-N 3.41Å; L161-Q163 VanDerWaalsContact C-N 3.31Å; L161-Q163 PolarHBondContact O-N 2.85Å; L161-I164 PolarHBondContact O-N 3.33Å; L161-F165 HydrophobicContact CB-CD2 4.23Å; L161-F165 HydrophobicContact CB-CE2 4.49Å; L161-F165 HydrophobicContact CD2-CD2 4.33Å; L161-F165 HydrophobicContact CD2-CE2 3.83Å; L161-F165 WeakPolarHBondContact O-CB 3.18Å; L161-F165 VanDerWaalsContact O-CD2 3.29Å; L161-F165 WeakPolarHBondContact O-CD2 3.17Å; L161-F165 PolarHBondContact O-N 2.86Å; L161-V173 HydrophobicContact CD2-CG1 3.89Å; L161-I175 HydrophobicContact CD1-CD1 4.44Å; L161-I175 HydrophobicContact CD2-CD1 3.69Å; L161-I175 HydrophobicContact CD2-CG1 4.18Å; L161-L239 HydrophobicContact CD2-CD2 4.16Å; L161-W244 HydrophobicContact CB-CD2 3.95Å; L161-W244 HydrophobicContact CB-CE3 4.1Å; L161-W244 HydrophobicContact CB-CH2 3.83Å; L161-W244 HydrophobicContact CB-CZ2 3.61Å; L161-W244 HydrophobicContact CB-CZ3 4.05Å; L161-W244 HydrophobicContact CD1-CD2 4.45Å; L161-W244 HydrophobicContact CD1-CE3 3.77Å; L161-W244 HydrophobicContact CD1-CH2 3.93Å; L161-W244 HydrophobicContact CD1-CZ3 3.48Å; L161-W244 VanDerWaalsContact CD1-CZ3 3.48Å; L161-W244 HydrophobicContact CG-CE3 4.49Å; L161-W244 HydrophobicContact CG-CZ3 4.4Å
162D98.5Very high97.5Very high27 Ų2742.1 Ų42.114%0.14421%0.209CC..Hα-helixtrans-62.7-36.5172.7-88.7-7.6000112.1K158 W159 M166 V167 W244 R248K158-D162 WeakPolarHBondContact O-CB 3.1Å; K158-D162 PolarHBondContact O-N 2.81Å; W159-D162 PolarHBondContact O-N 2.76Å; D162-M166 HydrophobicContact CB-CG 4.34Å; D162-M166 WeakPolarHBondContact O-CA 3.4Å; D162-M166 WeakPolarHBondContact O-CB 3.36Å; D162-M166 PolarHBondContact O-N 2.68Å; D162-V167 PolarHBondContact O-N 3.25Å; D162-W244 WeakPolarHBondContact OD1-CZ2 3.39Å; D162-W244 PolarHBondContact OD1-NE1 3.11Å; D162-R248 IonicContact OD1-CZ 3.67Å; D162-R248 IonicContact OD1-NE 3.62Å; D162-R248 PolarHBondContact OD1-NE 2.93Å; D162-R248 IonicContact OD1-NH2 2.79Å; D162-R248 PolarHBondContact OD1-NH2 3.07Å; D162-R248 IonicContact OD2-CZ 2.73Å; D162-R248 IonicContact OD2-NE 2.93Å; D162-R248 IonicContact OD2-NH2 3.71Å; D162-R248 PolarHBondContact OD2-NH2 3.03Å
163Q98.6Very high97.8Very high42 Ų4237.5 Ų37.520%0.19619%0.188CC..Iπ-helixtrans-58.7-52.4171.9-64.2-49.4-67.900110.7I129 W159 A160 L161 F165 V167 Y168I129-Q163 HydrophobicContact CD1-CB 3.81Å; I129-Q163 HydrophobicContact CD1-CG 4.07Å; W159-Q163 HydrophobicContact CD2-CG 4Å; W159-Q163 HydrophobicContact CE3-CG 4.01Å; W159-Q163 HydrophobicContact CH2-CG 3.64Å; W159-Q163 HydrophobicContact CZ2-CG 3.63Å; W159-Q163 HydrophobicContact CZ3-CG 3.83Å; W159-Q163 WeakPolarHBondContact O-CG 3.47Å; W159-Q163 PolarHBondContact O-N 3.48Å; A160-Q163 WeakPolarHBondContact O-CB 3.48Å; A160-Q163 PolarHBondContact O-N 2.86Å; L161-Q163 VanDerWaalsContact C-N 3.31Å; L161-Q163 PolarHBondContact O-N 2.85Å; Q163-F165 PolarHBondContact O-N 3.2Å; Q163-V167 WeakPolarHBondContact O-CA 2.91Å; Q163-V167 WeakPolarHBondContact O-CB 3.28Å; Q163-V167 PolarHBondContact O-N 3.29Å; Q163-V167 VanDerWaalsContact O-N 3.15Å; Q163-Y168 HydrophobicContact CB-CD2 4.48Å; Q163-Y168 WeakPolarHBondContact O-CD2 3.21Å; Q163-Y168 PolarHBondContact O-N 3.33Å
164I98.6Very high98Very high0 Ų035.4 Ų35.40%018%0.175CC..Iπ-helixtrans-64.4-45.9-176-62-56.5000112.3P69 L71 F105 A160 L161 Y168 N169 Y170 V173P69-I164 HydrophobicContact CG-CG2 4.03Å; L71-I164 HydrophobicContact CB-CG1 4.34Å; L71-I164 HydrophobicContact CD1-CD1 4.31Å; L71-I164 HydrophobicContact CD1-CG1 4.17Å; L71-I164 HydrophobicContact CD2-CG1 3.92Å; L71-I164 HydrophobicContact CG-CG1 4.37Å; F105-I164 HydrophobicContact CB-CD1 3.92Å; F105-I164 HydrophobicContact CD1-CD1 3.95Å; F105-I164 HydrophobicContact CD2-CD1 3.75Å; F105-I164 HydrophobicContact CE1-CD1 4.44Å; F105-I164 HydrophobicContact CE2-CD1 4.25Å; F105-I164 HydrophobicContact CG-CD1 3.58Å; A160-I164 WeakPolarHBondContact O-CG1 3Å; A160-I164 PolarHBondContact O-N 3.47Å; A160-I164 VanDerWaalsContact O-N 3.15Å; L161-I164 PolarHBondContact O-N 3.33Å; I164-Y168 CarbonylContact O-C 3.58Å; I164-N169 PolarHBondContact O-N 3.5Å; I164-Y170 HydrophobicContact CG2-CD2 4.05Å; I164-Y170 HydrophobicContact CG2-CG 4.49Å; I164-Y170 PolarHBondContact O-N 3.4Å; I164-Y170 VanDerWaalsContact O-N 3.09Å; I164-V173 HydrophobicContact CG1-CG2 4.4Å; I164-V173 HydrophobicContact CG2-CB 3.88Å; I164-V173 HydrophobicContact CG2-CG2 3.93Å
165F98.5Very high98.1Very high0 Ų035.4 Ų35.40%018%0.175CC..Iπ-helixtrans-88.5-31.6-171.9-71-55.2000114.6L161 Q163 Y170 V173 L239 R241 W244L161-F165 HydrophobicContact CB-CD2 4.23Å; L161-F165 HydrophobicContact CB-CE2 4.49Å; L161-F165 HydrophobicContact CD2-CD2 4.33Å; L161-F165 HydrophobicContact CD2-CE2 3.83Å; L161-F165 WeakPolarHBondContact O-CB 3.18Å; L161-F165 VanDerWaalsContact O-CD2 3.29Å; L161-F165 WeakPolarHBondContact O-CD2 3.17Å; L161-F165 PolarHBondContact O-N 2.86Å; Q163-F165 PolarHBondContact O-N 3.2Å; F165-Y170 WeakPolarHBondContact CD1-O 3.08Å; F165-V173 HydrophobicContact CE1-CG1 4.28Å; F165-V173 HydrophobicContact CE2-CG1 3.81Å; F165-V173 HydrophobicContact CZ-CB 4.24Å; F165-V173 HydrophobicContact CZ-CG1 3.49Å; F165-V173 VanDerWaalsContact CZ-CG1 3.49Å; F165-L239 HydrophobicContact CE2-CD1 4.21Å; F165-L239 HydrophobicContact CE2-CD2 4.17Å; F165-L239 HydrophobicContact CE2-CG 4.1Å; F165-L239 HydrophobicContact CZ-CD2 4.06Å; F165-L239 HydrophobicContact CZ-CG 3.94Å; F165-R241 HydrophobicContact CB-CG 4.24Å; F165-R241 HydrophobicContact CD1-CB 3.52Å; F165-R241 HydrophobicContact CD1-CG 3.84Å; F165-R241 HydrophobicContact CE1-CB 3.73Å; F165-R241 HydrophobicContact CG-CB 4.34Å; F165-R241 HydrophobicContact CG-CG 4.26Å; F165-R241 PolarHBondContact O-NE 3.47Å; F165-W244 HydrophobicContact CB-CG 4.45Å; F165-W244 HydrophobicContact CD2-CB 3.59Å; F165-W244 AromaticContact CD2-CD1 3.27Å; F165-W244 HydrophobicContact CD2-CD2 4.07Å; F165-W244 AromaticContact CD2-CG 3.32Å; F165-W244 HydrophobicContact CD2-CG 3.32Å; F165-W244 AromaticContact CD2-NE1 3.93Å; F165-W244 HydrophobicContact CE2-CB 3.59Å; F165-W244 HydrophobicContact CE2-CD2 4.4Å; F165-W244 AromaticContact CE2-CG 3.75Å; F165-W244 HydrophobicContact CE2-CG 3.75Å; F165-W244 HydrophobicContact CG-CB 4.26Å; F165-W244 AromaticContact CG-CD1 3.72Å; F165-W244 HydrophobicContact CG-CG 4.11Å; F165-W244 HydrophobicContact CZ-CB 4.28Å
166M97.8Very high98.1Very high80 Ų8033 Ų3339%0.39416%0.164SC..Iπ-helixtrans-104.9-37.5-172.8-50.4-55.1-67.100112.1D162 L245D162-M166 HydrophobicContact CB-CG 4.34Å; D162-M166 WeakPolarHBondContact O-CA 3.4Å; D162-M166 WeakPolarHBondContact O-CB 3.36Å; D162-M166 PolarHBondContact O-N 2.68Å; M166-L245 HydrophobicContact CE-CD2 4.09Å; M166-L245 HydrophobicContact SD-CD2 3.66Å
167V97.5Very high98.1Very high95 Ų9534.5 Ų34.558%0.57617%0.171SC*.Iπ-helixtrans-89.6-56.5-179.6-176.20000110.9D162 Q163 N169D162-V167 PolarHBondContact O-N 3.25Å; Q163-V167 WeakPolarHBondContact O-CA 2.91Å; Q163-V167 WeakPolarHBondContact O-CB 3.28Å; Q163-V167 PolarHBondContact O-N 3.29Å; Q163-V167 VanDerWaalsContact O-N 3.15Å; V167-N169 VanDerWaalsContact C-N 3.28Å; V167-N169 PolarHBondContact O-N 3.05Å
168Y97.3Very high98Very high97 Ų9735.3 Ų35.338%0.3818%0.175SC..SBendtrans-79.8-10.7177.7-69.7-79.8000113.4F105 I129 Q163 I164 Y170F105-Y168 HydrophobicContact CD1-CE2 4.25Å; F105-Y168 AromaticContact CE1-CD1 3.94Å; F105-Y168 HydrophobicContact CE1-CD1 3.94Å; F105-Y168 AromaticContact CE1-CD2 3.98Å; F105-Y168 HydrophobicContact CE1-CD2 3.98Å; F105-Y168 AromaticContact CE1-CE1 3.68Å; F105-Y168 HydrophobicContact CE1-CE1 3.68Å; F105-Y168 AromaticContact CE1-CE2 3.74Å; F105-Y168 HydrophobicContact CE1-CE2 3.74Å; F105-Y168 HydrophobicContact CE1-CG 4.09Å; F105-Y168 AromaticContact CE1-CZ 3.58Å; F105-Y168 AromaticContact CZ-CD1 3.99Å; F105-Y168 HydrophobicContact CZ-CD1 3.99Å; F105-Y168 HydrophobicContact CZ-CD2 4.46Å; F105-Y168 HydrophobicContact CZ-CE1 4.12Å; F105-Y168 HydrophobicContact CZ-CG 4.17Å; I129-Y168 HydrophobicContact CG2-CE2 4.02Å; Q163-Y168 HydrophobicContact CB-CD2 4.48Å; Q163-Y168 WeakPolarHBondContact O-CD2 3.21Å; Q163-Y168 PolarHBondContact O-N 3.33Å; I164-Y168 CarbonylContact O-C 3.58Å; Y168-Y170 VanDerWaalsContact C-N 3.27Å; Y168-Y170 HydrophobicContact CG-CE2 4.32Å; Y168-Y170 PolarHBondContact O-N 2.87Å
169N96.8Very high97.8Very high97 Ų9733.2 Ų33.252%0.51917%0.168SC..  trans5931.2171.3-166.345.3000114.7I164 V167 R241I164-N169 PolarHBondContact O-N 3.5Å; V167-N169 VanDerWaalsContact C-N 3.28Å; V167-N169 PolarHBondContact O-N 3.05Å; N169-R241 VanDerWaalsContact OD1-CZ 3.25Å; N169-R241 PolarHBondContact OD1-NH1 2.88Å; N169-R241 PolarHBondContact OD1-NH2 2.76Å
170Y97.8Very high97.7Very high58 Ų5830.9 Ų30.923%0.22716%0.159CC..  trans-72.1156.3172.6-71-71000111.6T67 P69 P103 F105 I164 F165 Y168 R241T67-Y170 HydrophobicContact CG2-CD1 4.41Å; T67-Y170 HydrophobicContact CG2-CE1 3.73Å; P69-Y170 HydrophobicContact CB-CD2 4.14Å; P69-Y170 HydrophobicContact CB-CE2 4.25Å; P69-Y170 HydrophobicContact CB-CG 4.32Å; P69-Y170 HydrophobicContact CG-CD1 4.03Å; P69-Y170 HydrophobicContact CG-CD2 3.86Å; P69-Y170 HydrophobicContact CG-CE2 4.42Å; P69-Y170 HydrophobicContact CG-CG 3.63Å; P103-Y170 HydrophobicContact CG-CE1 4.46Å; F105-Y170 HydrophobicContact CE2-CD2 4.5Å; F105-Y170 AromaticContact CE2-CE2 3.62Å; F105-Y170 HydrophobicContact CE2-CE2 3.62Å; F105-Y170 AromaticContact CZ-CE2 3.72Å; F105-Y170 HydrophobicContact CZ-CE2 3.72Å; I164-Y170 HydrophobicContact CG2-CD2 4.05Å; I164-Y170 HydrophobicContact CG2-CG 4.49Å; I164-Y170 PolarHBondContact O-N 3.4Å; I164-Y170 VanDerWaalsContact O-N 3.09Å; F165-Y170 WeakPolarHBondContact CD1-O 3.08Å; Y168-Y170 VanDerWaalsContact C-N 3.27Å; Y168-Y170 HydrophobicContact CG-CE2 4.32Å; Y168-Y170 PolarHBondContact O-N 2.87Å; Y170-R241 WeakPolarHBondContact O-CD 3.46Å
171S96.3Very high97.7Very high66 Ų6632.8 Ų32.846%0.46217%0.169SC..SBendtrans-96.1-12.8-179.760.40000113.9R241S171-R241 WeakPolarHBondContact O-CB 3.5Å; S171-R241 PolarHBondContact O-N 3.42Å
172T98.1Very high97.7Very high0 Ų033.2 Ų33.20%017%0.171CC..EExtended strand (participates in β ladder)trans-150.8161.4-177.8-173.10000109.4I68 P69 Y194 L239I68-T172 HydrophobicContact CB-CG2 4.31Å; I68-T172 HydrophobicContact CG1-CG2 4.16Å; I68-T172 HydrophobicContact CG2-CG2 4.03Å; P69-T172 WeakPolarHBondContact CD-O 3.26Å; P69-T172 WeakPolarHBondContact CG-O 3.15Å; T172-Y194 HydrophobicContact CG2-CD2 4.01Å; T172-Y194 HydrophobicContact CG2-CE2 3.69Å; T172-L239 WeakPolarHBondContact CA-O 3.39Å; T172-L239 PolarHBondContact OG1-O 2.76Å
173V98.7Very high97.7Very high0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-153.2144.1169.566.60000110.6P69 L71 L161 I164 F165 I175 M238 L239P69-V173 HydrophobicContact CB-CG2 4.44Å; P69-V173 HydrophobicContact CG-CB 4.13Å; P69-V173 HydrophobicContact CG-CG2 4.15Å; P69-V173 WeakPolarHBondContact O-CA 3.49Å; P69-V173 WeakPolarHBondContact O-CG2 3.34Å; L71-V173 HydrophobicContact CB-CG2 3.53Å; L161-V173 HydrophobicContact CD2-CG1 3.89Å; I164-V173 HydrophobicContact CG1-CG2 4.4Å; I164-V173 HydrophobicContact CG2-CB 3.88Å; I164-V173 HydrophobicContact CG2-CG2 3.93Å; F165-V173 HydrophobicContact CE1-CG1 4.28Å; F165-V173 HydrophobicContact CE2-CG1 3.81Å; F165-V173 HydrophobicContact CZ-CB 4.24Å; F165-V173 HydrophobicContact CZ-CG1 3.49Å; F165-V173 VanDerWaalsContact CZ-CG1 3.49Å; V173-I175 HydrophobicContact CG1-CG1 4.18Å; V173-M238 VanDerWaalsContact O-CA 3.24Å; V173-M238 WeakPolarHBondContact O-CA 3.4Å; V173-L239 HydrophobicContact CG1-CD2 3.35Å; V173-L239 HydrophobicContact CG1-CG 4.46Å; V173-L239 PolarHBondContact N-O 3.39Å; V173-L239 VanDerWaalsContact N-O 3.13Å; V173-L239 PolarHBondContact O-N 2.8Å
174I98.9Very high97.6Very high0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-96.3122.4164.9-59.2162.5000107.6I68 P69 V70 L71 F102 V176 F186 L187 F190 W237 M238I68-I174 HydrophobicContact CG2-CD1 3.6Å; I68-I174 HydrophobicContact CG2-CG1 3.76Å; P69-I174 PolarHBondContact O-N 2.8Å; V70-I174 CarbonylContact C-O 3.49Å; V70-I174 VanDerWaalsContact CA-O 3.3Å; V70-I174 WeakPolarHBondContact CA-O 3.43Å; V70-I174 HydrophobicContact CG1-CB 4.43Å; V70-I174 HydrophobicContact CG1-CG2 4.46Å; V70-I174 HydrophobicContact CG2-CB 4.3Å; V70-I174 HydrophobicContact CG2-CD1 4.16Å; L71-I174 PolarHBondContact N-O 2.86Å; F102-I174 HydrophobicContact CD1-CD1 4.5Å; I174-V176 HydrophobicContact CG2-CG2 4.23Å; I174-F186 HydrophobicContact CG2-CE1 3.93Å; I174-F186 HydrophobicContact CG2-CZ 3.95Å; I174-L187 HydrophobicContact CD1-CD2 4.18Å; I174-F190 HydrophobicContact CD1-CB 3.49Å; I174-F190 VanDerWaalsContact CD1-CB 3.49Å; I174-F190 HydrophobicContact CD1-CD1 4.48Å; I174-F190 HydrophobicContact CD1-CD2 3.91Å; I174-F190 HydrophobicContact CD1-CG 3.7Å; I174-F190 HydrophobicContact CG1-CB 4Å; I174-F190 HydrophobicContact CG1-CD1 4.09Å; I174-F190 HydrophobicContact CG1-CD2 4.11Å; I174-F190 HydrophobicContact CG1-CG 3.78Å; I174-F190 HydrophobicContact CG2-CD2 3.78Å; I174-F190 HydrophobicContact CG2-CE1 4.48Å; I174-F190 HydrophobicContact CG2-CE2 3.69Å; I174-F190 HydrophobicContact CG2-CG 4.25Å; I174-F190 HydrophobicContact CG2-CZ 4.06Å; I174-W237 CarbonylContact C-O 3.46Å; I174-W237 WeakPolarHBondContact CA-O 3.4Å; I174-M238 HydrophobicContact CD1-CE 3.91Å; I174-M238 HydrophobicContact CG1-CB 4.32Å; I174-M238 HydrophobicContact CG1-CE 3.44Å; I174-M238 VanDerWaalsContact CG1-CE 3.44Å
175I98.8Very high97.6Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-96.8133.8177.3-60.6160.3000109.1L71 I73 Y157 L161 V173 G236 W237 L239L71-I175 CarbonylContact O-C 3.47Å; L71-I175 WeakPolarHBondContact O-CA 3.38Å; I73-I175 HydrophobicContact CG1-CG2 3.93Å; Y157-I175 HydrophobicContact CE1-CG2 3.86Å; L161-I175 HydrophobicContact CD1-CD1 4.44Å; L161-I175 HydrophobicContact CD2-CD1 3.69Å; L161-I175 HydrophobicContact CD2-CG1 4.18Å; V173-I175 HydrophobicContact CG1-CG1 4.18Å; I175-G236 CarbonylContact O-C 3.58Å; I175-G236 WeakPolarHBondContact O-CA 3.38Å; I175-W237 HydrophobicContact CD1-CD2 3.92Å; I175-W237 VanDerWaalsContact CD1-CE2 3.4Å; I175-W237 HydrophobicContact CD1-CE3 4.15Å; I175-W237 HydrophobicContact CD1-CH2 3.48Å; I175-W237 VanDerWaalsContact CD1-CH2 3.48Å; I175-W237 HydrophobicContact CD1-CZ2 3.18Å; I175-W237 HydrophobicContact CD1-CZ3 3.97Å; I175-W237 HydrophobicContact CG1-CZ2 4.49Å; I175-W237 PolarHBondContact N-O 2.86Å; I175-W237 PolarHBondContact O-N 3.46Å; I175-L239 HydrophobicContact CD1-CD2 3.61Å; I175-L239 HydrophobicContact CG1-CD2 4.33Å
176V98.6Very high97.5Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-130.2129177.8178.30000108.3V70 L71 V72 I73 P83 L87 I174 L180 L182 F186V70-V176 HydrophobicContact CG1-CG2 3.77Å; L71-V176 PolarHBondContact O-N 3.37Å; V72-V176 CarbonylContact C-O 3.56Å; V72-V176 WeakPolarHBondContact CA-O 3.27Å; V72-V176 HydrophobicContact CG2-CB 4.32Å; I73-V176 PolarHBondContact N-O 3.27Å; P83-V176 HydrophobicContact CB-CG1 3.85Å; L87-V176 HydrophobicContact CD1-CG2 4.38Å; I174-V176 HydrophobicContact CG2-CG2 4.23Å; V176-L180 HydrophobicContact CG1-CB 4.35Å; V176-L180 HydrophobicContact CG1-CD1 4.16Å; V176-L182 HydrophobicContact CG1-CD1 4.37Å; V176-L182 HydrophobicContact CG1-CD2 4.23Å; V176-F186 HydrophobicContact CG2-CE1 4.06Å; V176-F186 HydrophobicContact CG2-CZ 3.76Å
177E96.8Very high97.5Very high45 Ų4528 Ų2821%0.2115%0.148CC..EExtended strand (participates in β ladder)trans-80.4153.2173.3-69.8160.5-112.500110.3Y157 D179 L180Y157-E177 WeakPolarHBondContact OH-CG 3.35Å; E177-D179 WeakPolarHBondContact CB-OD1 3.35Å; E177-D179 PolarHBondContact O-N 3.24Å; E177-D179 VanDerWaalsContact O-N 3.08Å; E177-L180 HydrophobicContact CB-CD1 4.07Å; E177-L180 HydrophobicContact CB-CD2 4.45Å; E177-L180 HydrophobicContact CB-CG 3.92Å; E177-L180 PolarHBondContact O-N 2.94Å
178D95.5Very high97.4Very high21 Ų2124.1 Ų24.111%0.11213%0.125CC..THydrogen-bonded Turntrans-66.2-7.8-176.56222.2000115.1I73 A74 C75 R77 A80I73-D178 WeakPolarHBondContact O-CB 3.5Å; I73-D178 PolarHBondContact O-N 2.59Å; A74-D178 WeakPolarHBondContact CA-OD2 3.39Å; A74-D178 HydrophobicContact CB-CB 4.12Å; C75-D178 PolarHBondContact N-OD2 2.85Å; C75-D178 VanDerWaalsContact N-OD2 3.1Å; R77-D178 HydrophobicContact CB-CB 4.49Å; R77-D178 WeakPolarHBondContact CD-O 3.47Å; R77-D178 VanDerWaalsContact CD-OD1 3.26Å; R77-D178 WeakPolarHBondContact CD-OD1 3.34Å; R77-D178 IonicContact NE-OD1 2.79Å; R77-D178 PolarHBondContact NE-OD1 2.96Å; A80-D178 HydrophobicContact CB-CB 3.79Å
179D94.4Very high97.4Very high21 Ų2119.5 Ų19.511%0.11211%0.107CC..THydrogen-bonded Turntrans-113.521.4-176.674.2-21000113.6E177 T281 F282 G283E177-D179 WeakPolarHBondContact CB-OD1 3.35Å; E177-D179 PolarHBondContact O-N 3.24Å; E177-D179 VanDerWaalsContact O-N 3.08Å; D179-T281 CarbonylContact O-C 3.55Å; D179-T281 VanDerWaalsContact O-CA 3.28Å; D179-T281 WeakPolarHBondContact O-CA 3.38Å; D179-T281 PolarHBondContact O-OG1 2.87Å; D179-T281 PolarHBondContact OD2-OG1 2.83Å; D179-F282 VanDerWaalsContact CA-CZ 3.43Å; D179-F282 HydrophobicContact CB-CE2 4.23Å; D179-F282 HydrophobicContact CB-CZ 4.35Å; D179-F282 WeakPolarHBondContact O-CD1 3.42Å; D179-F282 WeakPolarHBondContact O-CE1 3.38Å; D179-F282 WeakPolarHBondContact O-CG 3.43Å; D179-F282 PolarHBondContact O-N 3.5Å; D179-G283 WeakPolarHBondContact OD2-CA 3.37Å
180L97.1Very high97.4Very high0 Ų014.9 Ų14.90%08%0.082CC..EExtended strand (participates in β ladder)trans-99.9134-179.4-57-175.7000113.9P83 V176 E177 L182 L235 I280P83-L180 WeakPolarHBondContact CB-O 3.42Å; V176-L180 HydrophobicContact CG1-CB 4.35Å; V176-L180 HydrophobicContact CG1-CD1 4.16Å; E177-L180 HydrophobicContact CB-CD1 4.07Å; E177-L180 HydrophobicContact CB-CD2 4.45Å; E177-L180 HydrophobicContact CB-CG 3.92Å; E177-L180 PolarHBondContact O-N 2.94Å; L180-L182 HydrophobicContact CB-CD2 3.88Å; L180-L235 HydrophobicContact CD2-CB 4.47Å; L180-L235 HydrophobicContact CD2-CD2 3.95Å; L180-I280 CarbonylContact C-O 3.5Å; L180-I280 VanDerWaalsContact CA-O 3.28Å; L180-I280 WeakPolarHBondContact CA-O 3.34Å
181D97.8Very high97.3Very high39 Ų3912.1 Ų12.121%0.2097%0.071CC..EExtended strand (participates in β ladder)trans-92.6136159.7-76.9-26.7000109.4R82 S279 I280 F282 L302R82-D181 IonicContact CZ-OD1 2.76Å; R82-D181 IonicContact NE-OD1 3.67Å; R82-D181 PolarHBondContact NE-OD1 2.79Å; R82-D181 VanDerWaalsContact NE-OD1 3.09Å; R82-D181 VanDerWaalsContact NH2-CG 3.29Å; R82-D181 IonicContact NH2-OD1 3.28Å; R82-D181 PolarHBondContact NH2-OD1 3.29Å; R82-D181 IonicContact NH2-OD2 2.82Å; R82-D181 PolarHBondContact NH2-OD2 2.86Å; D181-S279 VanDerWaalsContact O-CA 3.31Å; D181-S279 WeakPolarHBondContact O-CA 3.44Å; D181-I280 HydrophobicContact CB-CG1 3.94Å; D181-I280 PolarHBondContact N-O 3.23Å; D181-I280 PolarHBondContact O-N 3.35Å; D181-F282 HydrophobicContact CB-CD1 4.45Å; D181-F282 WeakPolarHBondContact OD1-CD1 3.36Å; D181-L302 HydrophobicContact CB-CD2 4.09Å
182L98.6Very high97.2Very high9 Ų99.1 Ų9.15%0.0475%0.051CC..EExtended strand (participates in β ladder)trans-115.6140-170.9-45.7177.3000112.4P83 K86 L87 V176 L180 F186P83-L182 HydrophobicContact CB-CD1 4.29Å; K86-L182 WeakPolarHBondContact CE-O 3.31Å; K86-L182 HydrophobicContact CG-CB 3.86Å; K86-L182 HydrophobicContact CG-CD1 4.49Å; L87-L182 HydrophobicContact CD1-CD1 4.35Å; L87-L182 HydrophobicContact CD2-CD1 3.7Å; L87-L182 HydrophobicContact CG-CD1 3.67Å; V176-L182 HydrophobicContact CG1-CD1 4.37Å; V176-L182 HydrophobicContact CG1-CD2 4.23Å; L180-L182 HydrophobicContact CB-CD2 3.88Å; L182-F186 HydrophobicContact CB-CB 4.23Å; L182-F186 HydrophobicContact CB-CD2 4.13Å; L182-F186 HydrophobicContact CB-CG 4.11Å; L182-F186 HydrophobicContact CD1-CD1 4.17Å; L182-F186 HydrophobicContact CD1-CE1 4.18Å; L182-F186 HydrophobicContact CD1-CG 4.41Å; L182-F186 HydrophobicContact CD1-CZ 4.4Å; L182-F186 HydrophobicContact CD2-CD2 3.98Å; L182-F186 HydrophobicContact CD2-CE2 3.7Å; L182-F186 HydrophobicContact CD2-CZ 4.04Å; L182-F186 HydrophobicContact CG-CD2 4.47Å
183A98.4Very high97.2Very high0 Ų09.1 Ų9.10%05%0.051CC..  trans-69.3158-179.900000112.3D185 F186 R278 L302 S303A183-D185 PolarHBondContact O-N 3.45Å; A183-F186 VanDerWaalsContact O-CB 3.32Å; A183-F186 WeakPolarHBondContact O-CB 3.11Å; A183-F186 PolarHBondContact O-N 2.83Å; A183-F186 VanDerWaalsContact O-N 3.17Å; A183-R278 HydrophobicContact CB-CB 4.19Å; A183-R278 HydrophobicContact CB-CG 4.02Å; A183-R278 WeakPolarHBondContact CB-O 3.47Å; A183-R278 PolarHBondContact N-O 3.44Å; A183-L302 HydrophobicContact CB-CD1 3.99Å; A183-L302 HydrophobicContact CB-CG 4.42Å; A183-S303 WeakPolarHBondContact CB-O 3.11Å
184P97.9Very high97Very high32 Ų3210.8 Ų10.821%0.2086%0.057CC..THydrogen-bonded Turntrans-62.5-19.7178.9-24.236.1000115.4L90 S303 K306L90-P184 WeakPolarHBondContact CD2-O 3.1Å; P184-S303 VanDerWaalsContact CD-O 3.26Å; P184-S303 WeakPolarHBondContact CD-O 3.44Å; P184-K306 HydrophobicContact CB-CD 4.4Å; P184-K306 HydrophobicContact CB-CG 3.67Å
185D97Very high96.8Very high6 Ų613.7 Ų13.73%0.0327%0.073CC..THydrogen-bonded Turntrans-10712.6177.559.86.8000113.9A183 L187 S188 Y189 R278 V307A183-D185 PolarHBondContact O-N 3.45Å; D185-L187 PolarHBondContact O-N 3.49Å; D185-S188 WeakPolarHBondContact O-CB 3.41Å; D185-S188 PolarHBondContact O-N 3.27Å; D185-Y189 PolarHBondContact O-N 2.75Å; D185-R278 WeakPolarHBondContact OD1-CG 3.37Å; D185-R278 IonicContact OD1-CZ 2.7Å; D185-R278 IonicContact OD1-NE 2.8Å; D185-R278 PolarHBondContact OD1-NE 2.87Å; D185-R278 IonicContact OD1-NH2 3.66Å; D185-R278 IonicContact OD2-CZ 2.8Å; D185-R278 IonicContact OD2-NE 3.27Å; D185-R278 PolarHBondContact OD2-NE 2.75Å; D185-R278 IonicContact OD2-NH2 3.47Å; D185-R278 PolarHBondContact OD2-NH2 2.85Å; D185-V307 WeakPolarHBondContact CB-O 3.38Å; D185-V307 WeakPolarHBondContact OD2-CB 3.47Å; D185-V307 PolarHBondContact OD2-N 2.7Å; D185-V307 VanDerWaalsContact OD2-N 3.12Å
186F98.4Very high96.6Very high0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-50.9-49.4-172.9178.7-93.4000113.9L87 L90 I174 V176 L182 A183 Y189 F190 A208 R278L87-F186 HydrophobicContact CD2-CD1 4.15Å; L87-F186 HydrophobicContact CD2-CE1 4Å; L90-F186 HydrophobicContact CD1-CB 3.84Å; I174-F186 HydrophobicContact CG2-CE1 3.93Å; I174-F186 HydrophobicContact CG2-CZ 3.95Å; V176-F186 HydrophobicContact CG2-CE1 4.06Å; V176-F186 HydrophobicContact CG2-CZ 3.76Å; L182-F186 HydrophobicContact CB-CB 4.23Å; L182-F186 HydrophobicContact CB-CD2 4.13Å; L182-F186 HydrophobicContact CB-CG 4.11Å; L182-F186 HydrophobicContact CD1-CD1 4.17Å; L182-F186 HydrophobicContact CD1-CE1 4.18Å; L182-F186 HydrophobicContact CD1-CG 4.41Å; L182-F186 HydrophobicContact CD1-CZ 4.4Å; L182-F186 HydrophobicContact CD2-CD2 3.98Å; L182-F186 HydrophobicContact CD2-CE2 3.7Å; L182-F186 HydrophobicContact CD2-CZ 4.04Å; L182-F186 HydrophobicContact CG-CD2 4.47Å; A183-F186 VanDerWaalsContact O-CB 3.32Å; A183-F186 WeakPolarHBondContact O-CB 3.11Å; A183-F186 PolarHBondContact O-N 2.83Å; A183-F186 VanDerWaalsContact O-N 3.17Å; F186-Y189 WeakPolarHBondContact O-CB 3.48Å; F186-F190 HydrophobicContact CD1-CD2 4.2Å; F186-F190 HydrophobicContact CD1-CE2 4.38Å; F186-F190 HydrophobicContact CD2-CE2 4.11Å; F186-F190 AromaticContact CE1-CD2 3.88Å; F186-F190 HydrophobicContact CE1-CD2 3.88Å; F186-F190 AromaticContact CE1-CE2 3.82Å; F186-F190 HydrophobicContact CE1-CE2 3.82Å; F186-F190 HydrophobicContact CE2-CD2 4.27Å; F186-F190 AromaticContact CE2-CE2 3.53Å; F186-F190 HydrophobicContact CE2-CE2 3.53Å; F186-F190 AromaticContact CZ-CD2 3.93Å; F186-F190 HydrophobicContact CZ-CD2 3.93Å; F186-F190 AromaticContact CZ-CE2 3.36Å; F186-F190 HydrophobicContact CZ-CE2 3.36Å; F186-F190 HydrophobicContact CZ-CZ 4.39Å; F186-F190 WeakPolarHBondContact O-CD2 3.34Å; F186-F190 PolarHBondContact O-N 2.8Å; F186-A208 HydrophobicContact CD2-CB 4.11Å; F186-A208 HydrophobicContact CE2-CB 3.74Å; F186-R278 HydrophobicContact CD2-CB 4.2Å; F186-R278 WeakPolarHBondContact CD2-O 3.36Å
187L96.7Very high96.5Very high2 Ų214.6 Ų14.61%0.018%0.077CC..Hα-helixtrans-71.8-34.9178.7-64.8-178.2000112.4V70 L87 L90 M94 F102 I174 D185 Y189 F190 V191V70-L187 HydrophobicContact CG2-CD2 4.05Å; L87-L187 HydrophobicContact CD2-CD2 4.09Å; L90-L187 HydrophobicContact CB-CD1 3.61Å; L90-L187 HydrophobicContact CB-CG 4Å; L90-L187 HydrophobicContact CD1-CG 4.36Å; M94-L187 HydrophobicContact SD-CB 3.26Å; M94-L187 WeakPolarHBondContact SD-CB 3.25Å; M94-L187 HydrophobicContact SD-CD1 4.16Å; M94-L187 HydrophobicContact SD-CG 4.36Å; F102-L187 HydrophobicContact CB-CD1 4.4Å; F102-L187 HydrophobicContact CD1-CD1 4.29Å; F102-L187 HydrophobicContact CD1-CD2 3.9Å; F102-L187 HydrophobicContact CD2-CD1 3.9Å; F102-L187 HydrophobicContact CE1-CB 4.26Å; F102-L187 HydrophobicContact CE1-CD2 4.18Å; F102-L187 HydrophobicContact CE2-CD1 4.25Å; F102-L187 HydrophobicContact CG-CD1 3.93Å; F102-L187 HydrophobicContact CG-CD2 4.3Å; F102-L187 HydrophobicContact CZ-CB 4.18Å; I174-L187 HydrophobicContact CD1-CD2 4.18Å; D185-L187 PolarHBondContact O-N 3.49Å; L187-Y189 VanDerWaalsContact C-N 3.35Å; L187-Y189 PolarHBondContact O-N 3.27Å; L187-F190 PolarHBondContact O-N 2.73Å; L187-V191 WeakPolarHBondContact O-CG2 3.4Å; L187-V191 PolarHBondContact O-N 2.99Å
188S95.2Very high96.4Very high13 Ų1314.5 Ų14.59%0.0918%0.08CC..Hα-helixtrans-62.3-43.7175.5-172.80000111.1D185 F190 V191 G192 V307 N308 F309D185-S188 WeakPolarHBondContact O-CB 3.41Å; D185-S188 PolarHBondContact O-N 3.27Å; S188-F190 VanDerWaalsContact C-N 3.31Å; S188-F190 PolarHBondContact O-N 3.33Å; S188-V191 PolarHBondContact O-N 3.31Å; S188-V191 VanDerWaalsContact O-N 3.17Å; S188-G192 PolarHBondContact O-N 3.15Å; S188-V307 PolarHBondContact OG-O 3.46Å; S188-N308 WeakPolarHBondContact OG-CA 3.22Å; S188-N308 PolarHBondContact OG-OD1 3.42Å; S188-F309 WeakPolarHBondContact O-CB 3.47Å; S188-F309 PolarHBondContact OG-N 3.37Å
189Y97.7Very high96.4Very high0 Ų020.1 Ų20.10%011%0.105CC..Hα-helixtrans-52.3-49172.8164.8-99.8000111.6D185 F186 L187 V191 G192 A193 S207 A208 L226 I272 R278 F309D185-Y189 PolarHBondContact O-N 2.75Å; F186-Y189 WeakPolarHBondContact O-CB 3.48Å; L187-Y189 VanDerWaalsContact C-N 3.35Å; L187-Y189 PolarHBondContact O-N 3.27Å; Y189-V191 PolarHBondContact O-N 3.08Å; Y189-G192 PolarHBondContact O-N 3.31Å; Y189-A193 WeakPolarHBondContact O-CB 3.4Å; Y189-A193 PolarHBondContact O-N 2.97Å; Y189-S207 PolarHBondContact OH-O 3Å; Y189-A208 HydrophobicContact CD1-CB 4.48Å; Y189-A208 HydrophobicContact CE1-CB 4.27Å; Y189-L226 HydrophobicContact CD2-CD1 4.49Å; Y189-L226 HydrophobicContact CD2-CD2 3.98Å; Y189-L226 HydrophobicContact CE2-CD1 4.19Å; Y189-L226 HydrophobicContact CE2-CD2 3.67Å; Y189-I272 HydrophobicContact CE2-CG2 4.46Å; Y189-I272 PolarHBondContact OH-O 2.78Å; Y189-R278 HydrophobicContact CG-CG 4.28Å; Y189-F309 VanDerWaalsContact CA-CD2 3.43Å; Y189-F309 HydrophobicContact CD2-CD2 4.46Å; Y189-F309 HydrophobicContact CD2-CE1 4.49Å; Y189-F309 HydrophobicContact CD2-CE2 4.26Å; Y189-F309 HydrophobicContact CD2-CZ 4.28Å
190F97.8Very high96.5Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-70.1-28.8-179.8-83.8-60.8000114.2I174 F186 L187 S188 A193 Y194 A206 A208 M238I174-F190 HydrophobicContact CD1-CB 3.49Å; I174-F190 VanDerWaalsContact CD1-CB 3.49Å; I174-F190 HydrophobicContact CD1-CD1 4.48Å; I174-F190 HydrophobicContact CD1-CD2 3.91Å; I174-F190 HydrophobicContact CD1-CG 3.7Å; I174-F190 HydrophobicContact CG1-CB 4Å; I174-F190 HydrophobicContact CG1-CD1 4.09Å; I174-F190 HydrophobicContact CG1-CD2 4.11Å; I174-F190 HydrophobicContact CG1-CG 3.78Å; I174-F190 HydrophobicContact CG2-CD2 3.78Å; I174-F190 HydrophobicContact CG2-CE1 4.48Å; I174-F190 HydrophobicContact CG2-CE2 3.69Å; I174-F190 HydrophobicContact CG2-CG 4.25Å; I174-F190 HydrophobicContact CG2-CZ 4.06Å; F186-F190 HydrophobicContact CD1-CD2 4.2Å; F186-F190 HydrophobicContact CD1-CE2 4.38Å; F186-F190 HydrophobicContact CD2-CE2 4.11Å; F186-F190 AromaticContact CE1-CD2 3.88Å; F186-F190 HydrophobicContact CE1-CD2 3.88Å; F186-F190 AromaticContact CE1-CE2 3.82Å; F186-F190 HydrophobicContact CE1-CE2 3.82Å; F186-F190 HydrophobicContact CE2-CD2 4.27Å; F186-F190 AromaticContact CE2-CE2 3.53Å; F186-F190 HydrophobicContact CE2-CE2 3.53Å; F186-F190 AromaticContact CZ-CD2 3.93Å; F186-F190 HydrophobicContact CZ-CD2 3.93Å; F186-F190 AromaticContact CZ-CE2 3.36Å; F186-F190 HydrophobicContact CZ-CE2 3.36Å; F186-F190 HydrophobicContact CZ-CZ 4.39Å; F186-F190 WeakPolarHBondContact O-CD2 3.34Å; F186-F190 PolarHBondContact O-N 2.8Å; L187-F190 PolarHBondContact O-N 2.73Å; S188-F190 VanDerWaalsContact C-N 3.31Å; S188-F190 PolarHBondContact O-N 3.33Å; F190-A193 PolarHBondContact O-N 3.34Å; F190-Y194 VanDerWaalsContact O-CB 3.22Å; F190-Y194 WeakPolarHBondContact O-CB 3.35Å; F190-Y194 PolarHBondContact O-N 3.17Å; F190-A206 HydrophobicContact CE1-CB 4.23Å; F190-A208 HydrophobicContact CE2-CB 4.01Å; F190-A208 HydrophobicContact CZ-CB 4.01Å; F190-M238 HydrophobicContact CB-CE 3.68Å; F190-M238 HydrophobicContact CD1-CB 3.5Å; F190-M238 VanDerWaalsContact CD1-CB 3.5Å; F190-M238 HydrophobicContact CD1-CE 3.75Å; F190-M238 HydrophobicContact CD1-CG 4.45Å; F190-M238 HydrophobicContact CD1-SD 4.33Å; F190-M238 HydrophobicContact CE1-CB 3.49Å; F190-M238 VanDerWaalsContact CE1-CB 3.49Å; F190-M238 HydrophobicContact CG-CE 4.04Å; F190-M238 WeakPolarHBondContact O-CE 3.36Å
191V94.9Very high96.5Very high0 Ų025.3 Ų25.30%013%0.133CC..Hα-helixtrans-64-46.7169.8169.70000111.1I68 M94 F100 F102 L187 S188 Y189 A193 Y194 N195 H310I68-V191 HydrophobicContact CD1-CG2 4.27Å; M94-V191 HydrophobicContact CE-CG2 3.85Å; F100-V191 HydrophobicContact CD1-CG1 4.13Å; F100-V191 HydrophobicContact CD1-CG2 3.84Å; F100-V191 HydrophobicContact CD2-CG1 4.18Å; F100-V191 HydrophobicContact CD2-CG2 4.41Å; F100-V191 HydrophobicContact CE1-CB 4.46Å; F100-V191 HydrophobicContact CE1-CG1 3.6Å; F100-V191 HydrophobicContact CE1-CG2 4.12Å; F100-V191 HydrophobicContact CE2-CG1 3.66Å; F100-V191 HydrophobicContact CG-CG1 4.41Å; F100-V191 HydrophobicContact CG-CG2 4.01Å; F100-V191 HydrophobicContact CZ-CG1 3.35Å; F102-V191 HydrophobicContact CE1-CG2 4.11Å; F102-V191 HydrophobicContact CZ-CG2 3.62Å; L187-V191 WeakPolarHBondContact O-CG2 3.4Å; L187-V191 PolarHBondContact O-N 2.99Å; S188-V191 PolarHBondContact O-N 3.31Å; S188-V191 VanDerWaalsContact O-N 3.17Å; Y189-V191 PolarHBondContact O-N 3.08Å; V191-A193 VanDerWaalsContact C-N 3.34Å; V191-A193 PolarHBondContact O-N 3.14Å; V191-Y194 PolarHBondContact O-N 2.93Å; V191-N195 PolarHBondContact O-N 3.2Å; V191-H310 HydrophobicContact CB-CB 4.39Å; V191-H310 HydrophobicContact CG1-CB 3.66Å; V191-H310 VanDerWaalsContact CG1-CD2 3.43Å; V191-H310 WeakPolarHBondContact CG1-CD2 3.33Å
192G94.9Very high96.5Very high3 Ų325.8 Ų25.83%0.03114%0.138CC..Hα-helixtrans-59.5-45174.700000112S188 Y189 N195S188-G192 PolarHBondContact O-N 3.15Å; Y189-G192 PolarHBondContact O-N 3.31Å; G192-N195 PolarHBondContact O-N 2.76Å
193A96.4Very high96.5Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-67.9-33.9179.300000113.7Y189 F190 V191 N195 L196 L197 A206Y189-A193 WeakPolarHBondContact O-CB 3.4Å; Y189-A193 PolarHBondContact O-N 2.97Å; F190-A193 PolarHBondContact O-N 3.34Å; V191-A193 VanDerWaalsContact C-N 3.34Å; V191-A193 PolarHBondContact O-N 3.14Å; A193-N195 VanDerWaalsContact C-N 3.32Å; A193-N195 PolarHBondContact O-N 2.91Å; A193-L196 WeakPolarHBondContact O-CB 3.32Å; A193-L196 PolarHBondContact O-N 2.8Å; A193-L197 PolarHBondContact O-N 3.14Å; A193-A206 HydrophobicContact CB-CB 3.55Å
194Y96.1Very high96.5Very high36 Ų3626 Ų2614%0.14114%0.139CC..Hα-helixtrans-59.3-42.1176.4172.5-103000112.1V66 I68 T172 F190 V191 L196 L197 T198 M238 L240V66-Y194 HydrophobicContact CG1-CD1 4.27Å; V66-Y194 HydrophobicContact CG1-CE1 3.64Å; I68-Y194 HydrophobicContact CD1-CD1 4.21Å; I68-Y194 HydrophobicContact CD1-CD2 4.3Å; I68-Y194 HydrophobicContact CD1-CG 3.9Å; T172-Y194 HydrophobicContact CG2-CD2 4.01Å; T172-Y194 HydrophobicContact CG2-CE2 3.69Å; F190-Y194 VanDerWaalsContact O-CB 3.22Å; F190-Y194 WeakPolarHBondContact O-CB 3.35Å; F190-Y194 PolarHBondContact O-N 3.17Å; V191-Y194 PolarHBondContact O-N 2.93Å; Y194-L196 VanDerWaalsContact C-N 3.29Å; Y194-L196 PolarHBondContact O-N 3.16Å; Y194-L197 PolarHBondContact O-N 2.53Å; Y194-T198 HydrophobicContact CD2-CG2 3.92Å; Y194-T198 HydrophobicContact CE1-CG2 4.13Å; Y194-T198 HydrophobicContact CE2-CG2 3.46Å; Y194-T198 VanDerWaalsContact CE2-CG2 3.46Å; Y194-T198 HydrophobicContact CG-CG2 4.43Å; Y194-T198 WeakPolarHBondContact O-CG2 3.27Å; Y194-T198 PolarHBondContact O-N 3.18Å; Y194-T198 PolarHBondContact O-OG1 2.02Å; Y194-M238 HydrophobicContact CD2-SD 4.17Å; Y194-L240 HydrophobicContact CD2-CD2 4.36Å; Y194-L240 HydrophobicContact CE2-CD2 4.28Å
195N93Very high96.5Very high60 Ų6024.5 Ų24.532%0.32113%0.129SC..Hα-helixtrans-61.1-39177.2-71.5-15.8000111.8V191 G192 A193 T198 Q199V191-N195 PolarHBondContact O-N 3.2Å; G192-N195 PolarHBondContact O-N 2.76Å; A193-N195 VanDerWaalsContact C-N 3.32Å; A193-N195 PolarHBondContact O-N 2.91Å; N195-T198 PolarHBondContact O-OG1 3.25Å; N195-Q199 VanDerWaalsContact O-CG 3.23Å; N195-Q199 WeakPolarHBondContact O-CG 3.33Å; N195-Q199 PolarHBondContact O-NE2 2.95Å
196L95.8Very high96.6Very high13 Ų1324.2 Ų24.27%0.06813%0.127CC..Hα-helixtrans-67.5-51.6174.9-63.8168.9000111.4A193 Y194 T198 Q199 D200 L203 I272 L314 L317A193-L196 WeakPolarHBondContact O-CB 3.32Å; A193-L196 PolarHBondContact O-N 2.8Å; Y194-L196 VanDerWaalsContact C-N 3.29Å; Y194-L196 PolarHBondContact O-N 3.16Å; L196-T198 VanDerWaalsContact C-N 3.26Å; L196-T198 PolarHBondContact O-N 2.79Å; L196-Q199 PolarHBondContact O-N 3.11Å; L196-Q199 VanDerWaalsContact O-N 3.08Å; L196-D200 WeakPolarHBondContact O-CB 3.45Å; L196-D200 PolarHBondContact O-N 3.33Å; L196-L203 HydrophobicContact CB-CD1 3.9Å; L196-I272 HydrophobicContact CD1-CD1 4.25Å; L196-I272 HydrophobicContact CD1-CG1 4.13Å; L196-L314 HydrophobicContact CD1-CB 4.08Å; L196-L314 HydrophobicContact CD1-CD1 4.21Å; L196-L314 HydrophobicContact CD2-CB 4.18Å; L196-L314 HydrophobicContact CG-CB 4.36Å; L196-L317 HydrophobicContact CD1-CB 4.04Å; L196-L317 HydrophobicContact CD1-CD1 3.65Å; L196-L317 HydrophobicContact CD2-CB 4.33Å
197L96.6Very high96.6Very high6 Ų624.2 Ų24.23%0.03113%0.127CC..Hα-helixtrans-58.4-35.8-176.2-80.1167.9000113.2A193 Y194 Q199 L203 A206 M238 L240A193-L197 PolarHBondContact O-N 3.14Å; Y194-L197 PolarHBondContact O-N 2.53Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-L203 HydrophobicContact CD2-CB 3.65Å; L197-A206 HydrophobicContact CD1-CB 3.89Å; L197-M238 HydrophobicContact CD1-CB 4.33Å; L197-M238 HydrophobicContact CD1-CG 3.89Å; L197-M238 HydrophobicContact CD1-SD 3.71Å; L197-L240 HydrophobicContact CB-CD1 4.15Å; L197-L240 HydrophobicContact CB-CD2 4.44Å; L197-L240 HydrophobicContact CB-CG 4.26Å; L197-L240 VanDerWaalsContact O-CD1 3.28Å; L197-L240 WeakPolarHBondContact O-CD1 3.14Å
198T95.2Very high96.7Very high43 Ų4324.1 Ų24.126%0.26413%0.127SC..Hα-helixtrans-78.2-16.2-178.952.90000114.1K57 Y194 N195 L196 L240K57-T198 PolarHBondContact NZ-O 2.96Å; Y194-T198 HydrophobicContact CD2-CG2 3.92Å; Y194-T198 HydrophobicContact CE1-CG2 4.13Å; Y194-T198 HydrophobicContact CE2-CG2 3.46Å; Y194-T198 VanDerWaalsContact CE2-CG2 3.46Å; Y194-T198 HydrophobicContact CG-CG2 4.43Å; Y194-T198 WeakPolarHBondContact O-CG2 3.27Å; Y194-T198 PolarHBondContact O-N 3.18Å; Y194-T198 PolarHBondContact O-OG1 2.02Å; N195-T198 PolarHBondContact O-OG1 3.25Å; L196-T198 VanDerWaalsContact C-N 3.26Å; L196-T198 PolarHBondContact O-N 2.79Å; T198-L240 HydrophobicContact CG2-CD1 4.14Å; T198-L240 HydrophobicContact CG2-CD2 4.15Å
199Q94.1Very high96.9Very high139 Ų13923.6 Ų23.665%0.6512%0.123SC*.Hα-helixtrans-109.9-30.4-175.3-63.717826.500112.7N195 L196 L197N195-Q199 VanDerWaalsContact O-CG 3.23Å; N195-Q199 WeakPolarHBondContact O-CG 3.33Å; N195-Q199 PolarHBondContact O-NE2 2.95Å; L196-Q199 PolarHBondContact O-N 3.11Å; L196-Q199 VanDerWaalsContact O-N 3.08Å; L197-Q199 VanDerWaalsContact C-N 3.32Å
200D96.8Very high96.9Very high20 Ų2023.7 Ų23.711%0.10712%0.124CC..  trans-108.3102.3-176.2-173.8-3.8000111.3L196 T202 L203 R228 E319L196-D200 WeakPolarHBondContact O-CB 3.45Å; L196-D200 PolarHBondContact O-N 3.33Å; D200-T202 PolarHBondContact O-N 2.69Å; D200-T202 VanDerWaalsContact O-N 3.14Å; D200-T202 VanDerWaalsContact OD1-CB 3.32Å; D200-T202 WeakPolarHBondContact OD1-CB 3.38Å; D200-T202 PolarHBondContact OD1-N 3Å; D200-T202 PolarHBondContact OD1-OG1 3.1Å; D200-T202 PolarHBondContact OD2-OG1 3.2Å; D200-T202 VanDerWaalsContact OD2-OG1 3.14Å; D200-L203 HydrophobicContact CB-CD1 4.12Å; D200-L203 HydrophobicContact CB-CG 4.37Å; D200-L203 PolarHBondContact O-N 3.2Å; D200-L203 VanDerWaalsContact O-N 3.1Å; D200-R228 IonicContact OD2-CZ 3.07Å; D200-R228 IonicContact OD2-NH1 2.85Å; D200-R228 PolarHBondContact OD2-NH1 3.39Å; D200-R228 IonicContact OD2-NH2 2.81Å; D200-E319 PolarHBondContact OD2-N 3.5Å
201N96.6Very high96.8Very high110 Ų11023.8 Ų23.859%0.58812%0.124SC*.THydrogen-bonded Turntrans-67.8-8.3178.2-72.6-52.6000113.8K242N201-K242 PolarHBondContact OD1-NZ 2.75Å
202T98.4Very high97Very high49 Ų4923.9 Ų23.930%0.30112%0.124SC..THydrogen-bonded Turntrans-85.91.1174.573.40000112.1D200 R228 R269 A270 E319D200-T202 PolarHBondContact O-N 2.69Å; D200-T202 VanDerWaalsContact O-N 3.14Å; D200-T202 VanDerWaalsContact OD1-CB 3.32Å; D200-T202 WeakPolarHBondContact OD1-CB 3.38Å; D200-T202 PolarHBondContact OD1-N 3Å; D200-T202 PolarHBondContact OD1-OG1 3.1Å; D200-T202 PolarHBondContact OD2-OG1 3.2Å; D200-T202 VanDerWaalsContact OD2-OG1 3.14Å; T202-R228 PolarHBondContact O-NH2 2.87Å; T202-R228 PolarHBondContact OG1-NH2 3.27Å; T202-R269 CarbonylContact O-C 3.53Å; T202-R269 WeakPolarHBondContact O-CA 3.49Å; T202-R269 VanDerWaalsContact O-CB 3.26Å; T202-R269 WeakPolarHBondContact O-CB 3.48Å; T202-A270 PolarHBondContact O-N 2.85Å; T202-E319 HydrophobicContact CG2-CB 4.13Å; T202-E319 HydrophobicContact CG2-CG 4.03Å; T202-E319 WeakPolarHBondContact OG1-CB 3.42Å
203L98.6Very high97.1Very high10 Ų1023.7 Ų23.75%0.05212%0.123CC..EExtended strand (participates in β ladder)trans-103.4147.3168-65.4171.3000110.9L196 L197 D200 A270 I272L196-L203 HydrophobicContact CB-CD1 3.9Å; L197-L203 HydrophobicContact CD2-CB 3.65Å; D200-L203 HydrophobicContact CB-CD1 4.12Å; D200-L203 HydrophobicContact CB-CG 4.37Å; D200-L203 PolarHBondContact O-N 3.2Å; D200-L203 VanDerWaalsContact O-N 3.1Å; L203-A270 CarbonylContact C-O 3.53Å; L203-A270 VanDerWaalsContact CA-O 3.24Å; L203-A270 WeakPolarHBondContact CA-O 3.41Å; L203-A270 HydrophobicContact CD2-CB 4.09Å; L203-A270 WeakPolarHBondContact CD2-O 3.1Å; L203-I272 HydrophobicContact CD1-CD1 3.88Å; L203-I272 HydrophobicContact CD1-CG1 3.89Å; L203-I272 HydrophobicContact CD2-CD1 3.71Å; L203-I272 HydrophobicContact CD2-CG1 4.05Å; L203-I272 HydrophobicContact CG-CD1 4.47Å
204F98.3Very high97Very high4 Ų424.8 Ų24.82%0.01813%0.127CC..EExtended strand (participates in β ladder)trans-124.1-17.9171.175.1-80.6000113.9F232 F243 M260 R266 R269 A270 C271F204-F232 HydrophobicContact CE2-CD2 4.04Å; F204-F232 HydrophobicContact CZ-CB 4.17Å; F204-F232 HydrophobicContact CZ-CD2 4.33Å; F204-F243 HydrophobicContact CB-CD1 4.39Å; F204-F243 HydrophobicContact CB-CD2 4.02Å; F204-F243 HydrophobicContact CB-CE1 4.46Å; F204-F243 HydrophobicContact CB-CE2 4.08Å; F204-F243 HydrophobicContact CB-CG 4.17Å; F204-F243 HydrophobicContact CB-CZ 4.3Å; F204-F243 HydrophobicContact CD2-CD1 4.22Å; F204-F243 AromaticContact CD2-CE1 3.57Å; F204-F243 HydrophobicContact CD2-CE1 3.57Å; F204-F243 HydrophobicContact CD2-CE2 4.04Å; F204-F243 AromaticContact CD2-CZ 3.46Å; F204-F243 HydrophobicContact CD2-CZ 3.46Å; F204-F243 VanDerWaalsContact CD2-CZ 3.46Å; F204-F243 HydrophobicContact CE2-CE1 4.34Å; F204-F243 HydrophobicContact CE2-CZ 4.14Å; F204-F243 HydrophobicContact CG-CE1 4.48Å; F204-F243 HydrophobicContact CG-CE2 4.38Å; F204-F243 HydrophobicContact CG-CZ 4.22Å; F204-M260 HydrophobicContact CD2-CE 4.38Å; F204-M260 HydrophobicContact CE2-CE 4.03Å; F204-R266 HydrophobicContact CE1-CG 3.91Å; F204-R266 HydrophobicContact CZ-CG 4.45Å; F204-R269 HydrophobicContact CB-CB 4.13Å; F204-R269 HydrophobicContact CD1-CB 3.6Å; F204-R269 HydrophobicContact CE1-CB 4.49Å; F204-R269 HydrophobicContact CG-CB 4.3Å; F204-A270 VanDerWaalsContact CD1-O 3.24Å; F204-A270 WeakPolarHBondContact CD1-O 3.27Å; F204-A270 PolarHBondContact N-O 3.45Å; F204-C271 WeakPolarHBondContact CE1-SG 3.3Å; F204-C271 WeakPolarHBondContact CZ-SG 3.44Å
205C98.8Very high97Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-152169.2175.993.50000113.5F232 W237 M238 C271 I272C205-F232 HydrophobicContact CB-CE2 4.47Å; C205-F232 VanDerWaalsContact SG-CD2 3.56Å; C205-W237 HydrophobicContact CB-CE3 4.39Å; C205-M238 CarbonylContact C-O 3.59Å; C205-M238 WeakPolarHBondContact CA-O 3.49Å; C205-M238 WeakPolarHBondContact CB-O 3.35Å; C205-C271 HydrophobicContact CB-CB 4.21Å; C205-C271 WeakPolarHBondContact CB-SG 3.23Å; C205-C271 CarbonylContact O-C 3.36Å; C205-C271 WeakPolarHBondContact O-CA 3.45Å; C205-C271 WeakPolarHBondContact O-CB 3.45Å; C205-C271 WeakPolarHBondContact SG-CB 3.21Å; C205-C271 CovalentContact SG-SG 2.02Å; C205-C271 PolarHBondContact SG-SG 2.69Å; C205-I272 PolarHBondContact O-N 3.07Å; C205-I272 VanDerWaalsContact O-N 3.07Å
206A98.7Very high97.1Very high0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-128.9136.1161.800000108F190 A193 L197 W237 M238 I272F190-A206 HydrophobicContact CE1-CB 4.23Å; A193-A206 HydrophobicContact CB-CB 3.55Å; L197-A206 HydrophobicContact CD1-CB 3.89Å; A206-W237 CarbonylContact O-C 3.08Å; A206-W237 WeakPolarHBondContact O-CA 3.26Å; A206-W237 VanDerWaalsContact O-CB 3.28Å; A206-W237 WeakPolarHBondContact O-CB 3.25Å; A206-M238 PolarHBondContact N-O 3.38Å; A206-M238 PolarHBondContact O-N 2.86Å; A206-I272 CarbonylContact C-O 3.57Å; A206-I272 WeakPolarHBondContact CA-O 3.26Å; A206-I272 HydrophobicContact CB-CB 4.1Å
207S98.8Very high97.2Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-122133.9-180169.50000110Y189 F209 G234 I272 R273 P274Y189-S207 PolarHBondContact OH-O 3Å; S207-F209 PolarHBondContact O-N 3.25Å; S207-F209 PolarHBondContact OG-N 2.82Å; S207-G234 PolarHBondContact OG-O 2.86Å; S207-I272 PolarHBondContact N-O 2.8Å; S207-R273 WeakPolarHBondContact O-CA 3.43Å; S207-P274 WeakPolarHBondContact O-CD 3.4Å
208A98.7Very high97.3Very high0 Ų029.4 Ų29.40%015%0.15CC..SBendtrans-72.8-3.9173.100000112.6F186 Y189 F190 G236 S277 R278 S279F186-A208 HydrophobicContact CD2-CB 4.11Å; F186-A208 HydrophobicContact CE2-CB 3.74Å; Y189-A208 HydrophobicContact CD1-CB 4.48Å; Y189-A208 HydrophobicContact CE1-CB 4.27Å; F190-A208 HydrophobicContact CE2-CB 4.01Å; F190-A208 HydrophobicContact CZ-CB 4.01Å; A208-G236 WeakPolarHBondContact CB-O 3.05Å; A208-G236 PolarHBondContact N-O 2.89Å; A208-S277 CarbonylContact O-C 3.54Å; A208-S277 WeakPolarHBondContact O-CA 3.32Å; A208-R278 HydrophobicContact CB-CB 3.62Å; A208-R278 PolarHBondContact O-N 2.89Å; A208-S279 VanDerWaalsContact CB-OG 3.23Å; A208-S279 WeakPolarHBondContact CB-OG 3.18Å; A208-S279 PolarHBondContact O-N 3.38Å; A208-S279 PolarHBondContact O-OG 3.13Å
209F98.5Very high97.3Very high2 Ų228 Ų281%0.00914%0.141CC..  trans-106.6138.1-173-175.3-111.4000112.9S207 D211 P233 L235 L297 I300S207-F209 PolarHBondContact O-N 3.25Å; S207-F209 PolarHBondContact OG-N 2.82Å; F209-D211 VanDerWaalsContact CE1-CA 3.46Å; F209-D211 HydrophobicContact CE1-CB 4.17Å; F209-P233 HydrophobicContact CD1-CB 4.27Å; F209-L235 HydrophobicContact CB-CB 3.79Å; F209-L235 HydrophobicContact CD1-CB 4.3Å; F209-L235 HydrophobicContact CD1-CD1 3.75Å; F209-L235 HydrophobicContact CD1-CG 4.47Å; F209-L235 HydrophobicContact CD2-CB 4.17Å; F209-L235 HydrophobicContact CD2-CD1 3.76Å; F209-L235 HydrophobicContact CE1-CD1 3.65Å; F209-L235 HydrophobicContact CE2-CD1 3.66Å; F209-L235 HydrophobicContact CG-CB 3.85Å; F209-L235 HydrophobicContact CG-CD1 3.8Å; F209-L235 HydrophobicContact CG-CG 4.4Å; F209-L235 HydrophobicContact CZ-CD1 3.62Å; F209-L297 HydrophobicContact CZ-CD2 3.84Å; F209-I300 HydrophobicContact CD2-CG2 4.38Å; F209-I300 HydrophobicContact CE2-CB 4.22Å; F209-I300 HydrophobicContact CE2-CG1 3.89Å; F209-I300 HydrophobicContact CE2-CG2 3.8Å; F209-I300 HydrophobicContact CZ-CD1 4.41Å; F209-I300 HydrophobicContact CZ-CG1 4Å
210N98.2Very high97.5Very high3 Ų326 Ų262%0.01613%0.134CC..  trans-108.3111.1166.2178.8-11.3000109.3N212 G213 E275 S277 N386N210-N212 PolarHBondContact O-N 3.25Å; N210-N212 VanDerWaalsContact OD1-C 3.3Å; N210-N212 WeakPolarHBondContact OD1-CA 3.12Å; N210-N212 PolarHBondContact OD1-N 3.03Å; N210-G213 WeakPolarHBondContact O-CA 3.36Å; N210-G213 PolarHBondContact O-N 3.05Å; N210-G213 PolarHBondContact OD1-N 3.12Å; N210-G213 VanDerWaalsContact OD1-N 3.11Å; N210-E275 PolarHBondContact ND2-O 3.09Å; N210-S277 WeakPolarHBondContact CB-OG 3.17Å; N210-S277 PolarHBondContact N-OG 2.79Å; N210-N386 PolarHBondContact OD1-ND2 2.8Å; N210-N386 PolarHBondContact OD1-OD1 3.36Å
211D96.7Very high97.4Very high1 Ų129 Ų291%0.00515%0.153CC..THydrogen-bonded Turntrans-55.9-35.4176.9-57.2-93000114.3F209 G213 M376 R385 N386F209-D211 VanDerWaalsContact CE1-CA 3.46Å; F209-D211 HydrophobicContact CE1-CB 4.17Å; D211-G213 VanDerWaalsContact C-N 3.34Å; D211-M376 HydrophobicContact CB-SD 4Å; D211-M376 VanDerWaalsContact O-SD 3.39Å; D211-R385 HydrophobicContact CB-CB 3.73Å; D211-R385 HydrophobicContact CB-CG 4.3Å; D211-R385 WeakPolarHBondContact OD1-CD 3.44Å; D211-R385 IonicContact OD1-CZ 2.74Å; D211-R385 IonicContact OD1-NH1 3.29Å; D211-R385 PolarHBondContact OD1-NH1 2.84Å; D211-N386 WeakPolarHBondContact CB-ND2 3.41Å; D211-N386 PolarHBondContact N-ND2 3.48Å; D211-N386 PolarHBondContact OD2-ND2 2.93Å
212N97.3Very high97.4Very high2 Ų229.2 Ų29.21%0.01115%0.146CC..THydrogen-bonded Turntrans-99.623.4175.9-66.4-53.6000111.5N210 R214 L217 M376 R385N210-N212 PolarHBondContact O-N 3.25Å; N210-N212 VanDerWaalsContact OD1-C 3.3Å; N210-N212 WeakPolarHBondContact OD1-CA 3.12Å; N210-N212 PolarHBondContact OD1-N 3.03Å; N212-R214 PolarHBondContact O-N 3.27Å; N212-L217 HydrophobicContact CB-CD1 4.22Å; N212-L217 VanDerWaalsContact O-CB 3.31Å; N212-L217 WeakPolarHBondContact O-CB 3.09Å; N212-M376 PolarHBondContact OD1-N 3.02Å; N212-R385 PolarHBondContact ND2-O 3.34Å
213G97.6Very high97.4Very high0 Ų028.1 Ų28.10%014%0.139CC..  trans-72.628.7-174.200000115.6N210 D211 K301N210-G213 WeakPolarHBondContact O-CA 3.36Å; N210-G213 PolarHBondContact O-N 3.05Å; N210-G213 PolarHBondContact OD1-N 3.12Å; N210-G213 VanDerWaalsContact OD1-N 3.11Å; D211-G213 VanDerWaalsContact C-N 3.34Å; G213-K301 PolarHBondContact O-N 3.38Å
214R95.5Very high97.4Very high23 Ų2330 Ų309%0.08715%0.148CC..BIsolated β-bridgetrans-77.9149178.4-58.9179.2176.8177.2-4.5110.2N212 Q216 L217 I218 S295 H296 F299 I300 G374N212-R214 PolarHBondContact O-N 3.27Å; R214-Q216 PolarHBondContact O-N 3.19Å; R214-L217 HydrophobicContact CB-CD1 4.48Å; R214-L217 PolarHBondContact O-N 3.06Å; R214-I218 WeakPolarHBondContact O-CG1 3.24Å; R214-I218 PolarHBondContact O-N 3.11Å; R214-S295 PolarHBondContact NH2-O 3.47Å; R214-H296 PolarHBondContact NH2-CD2 2.83Å; R214-H296 PolarHBondContact NH2-NE2 3.38Å; R214-F299 HydrophobicContact CG-CB 4.17Å; R214-I300 HydrophobicContact CG-CD1 4Å; R214-G374 PolarHBondContact NH1-O 2.88Å
215L95.2Very high97.4Very high102 Ų10231.4 Ų31.453%0.53416%0.155SC..G310 helixtrans-52.9-36.1-175.1-172.564.1000113.8L217 I220L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 2.89Å; L215-I220 HydrophobicContact CD1-CG2 3.54Å
216Q95.2Very high97.4Very high102 Ų10231.5 Ų31.548%0.47716%0.156SC..G310 helixtrans-82.4-2.8-18074.9-82.217.300115.2R214 F395R214-Q216 PolarHBondContact O-N 3.19Å; Q216-F395 CarbonylContact C-O 3.57Å; Q216-F395 VanDerWaalsContact O-O 3.08Å
217L97.7Very high97.4Very high3 Ų332 Ų322%0.01616%0.157CC..G310 helixtrans-119.11.2-177.5-66.4-177.5000113N212 R214 L215 L373 I375 V394 F395 V396N212-L217 HydrophobicContact CB-CD1 4.22Å; N212-L217 VanDerWaalsContact O-CB 3.31Å; N212-L217 WeakPolarHBondContact O-CB 3.09Å; R214-L217 HydrophobicContact CB-CD1 4.48Å; R214-L217 PolarHBondContact O-N 3.06Å; L215-L217 VanDerWaalsContact C-N 3.32Å; L215-L217 PolarHBondContact O-N 2.89Å; L217-L373 WeakPolarHBondContact CD2-O 3.13Å; L217-I375 HydrophobicContact CD1-CG1 4.07Å; L217-I375 HydrophobicContact CD2-CG1 4.22Å; L217-V394 HydrophobicContact CB-CB 4.43Å; L217-V394 HydrophobicContact CB-CG1 4.49Å; L217-V394 HydrophobicContact CD2-CB 4.25Å; L217-V394 HydrophobicContact CD2-CG1 4.41Å; L217-F395 CarbonylContact C-O 3.6Å; L217-F395 WeakPolarHBondContact CA-O 3.4Å; L217-F395 PolarHBondContact O-N 2.76Å; L217-V396 HydrophobicContact CD2-CG2 3.87Å
218I97.9Very high97.4Very high5 Ų532 Ų323%0.02616%0.158CC..SBendtrans-126.6150.9-175.265.9-177.3000112.1R214 I220 E275 I276 K301 F395R214-I218 WeakPolarHBondContact O-CG1 3.24Å; R214-I218 PolarHBondContact O-N 3.11Å; I218-I220 HydrophobicContact CD1-CG2 4.16Å; I218-I220 HydrophobicContact CG1-CG2 4.03Å; I218-I220 PolarHBondContact O-N 2.79Å; I218-E275 HydrophobicContact CB-CG 4.45Å; I218-E275 WeakPolarHBondContact CG2-O 3.34Å; I218-I276 HydrophobicContact CD1-CG1 4.41Å; I218-I276 HydrophobicContact CD1-CG2 4.31Å; I218-K301 HydrophobicContact CD1-CB 3.64Å; I218-K301 HydrophobicContact CD1-CG 4.02Å; I218-F395 PolarHBondContact N-O 3.28Å
219D96.8Very high97.4Very high14 Ų1432 Ų328%0.07516%0.158CC..  trans-86.895.8170.2-170.5-13.4000110.1T221 R222 E275 F395D219-T221 PolarHBondContact O-N 2.88Å; D219-T221 VanDerWaalsContact O-N 3.13Å; D219-T221 WeakPolarHBondContact OD1-CB 3.44Å; D219-T221 PolarHBondContact OD1-N 3.14Å; D219-T221 PolarHBondContact OD1-OG1 2.96Å; D219-R222 HydrophobicContact CB-CB 4.36Å; D219-R222 HydrophobicContact CB-CG 4.34Å; D219-R222 PolarHBondContact O-N 3.48Å; D219-R222 WeakPolarHBondContact OD2-CG 3.24Å; D219-E275 HydrophobicContact CB-CG 4.34Å; D219-E275 WeakPolarHBondContact CB-OE1 3.2Å; D219-E275 PolarHBondContact N-OE1 2.82Å; D219-F395 HydrophobicContact CB-CB 4.03Å; D219-F395 HydrophobicContact CB-CD1 3.85Å; D219-F395 HydrophobicContact CB-CD2 3.88Å; D219-F395 HydrophobicContact CB-CE1 4.18Å; D219-F395 HydrophobicContact CB-CE2 4.21Å; D219-F395 HydrophobicContact CB-CG 3.67Å; D219-F395 HydrophobicContact CB-CZ 4.34Å
220I96.5Very high97.4Very high97 Ų9732.6 Ų32.650%0.49716%0.161SC..THydrogen-bonded Turntrans-64.5-14.7178.461.2167.7000113.6L215 I218 R222L215-I220 HydrophobicContact CD1-CG2 3.54Å; I218-I220 HydrophobicContact CD1-CG2 4.16Å; I218-I220 HydrophobicContact CG1-CG2 4.03Å; I218-I220 PolarHBondContact O-N 2.79Å; I220-R222 VanDerWaalsContact C-N 3.32Å
221T95.7Very high97.4Very high82 Ų8232.5 Ų32.550%0.50316%0.16SC..THydrogen-bonded Turntrans-85.2-8.7-179.275.50000112.7D219 P223D219-T221 PolarHBondContact O-N 2.88Å; D219-T221 VanDerWaalsContact O-N 3.13Å; D219-T221 WeakPolarHBondContact OD1-CB 3.44Å; D219-T221 PolarHBondContact OD1-N 3.14Å; D219-T221 PolarHBondContact OD1-OG1 2.96Å; T221-P223 VanDerWaalsContact O-CD 3.26Å; T221-P223 WeakPolarHBondContact O-CD 3.44Å
222R96.9Very high97.4Very high115 Ų11532.5 Ų32.543%0.43416%0.16SC..  trans-119.259.1-177-59.9-62.7-54.2-126.30.9111.9D219 I220 E224 L225D219-R222 HydrophobicContact CB-CB 4.36Å; D219-R222 HydrophobicContact CB-CG 4.34Å; D219-R222 PolarHBondContact O-N 3.48Å; D219-R222 WeakPolarHBondContact OD2-CG 3.24Å; I220-R222 VanDerWaalsContact C-N 3.32Å; R222-E224 VanDerWaalsContact C-OE2 3.31Å; R222-E224 WeakPolarHBondContact CA-OE2 3.29Å; R222-E224 IonicContact CZ-OE1 3.53Å; R222-E224 IonicContact NE-OE1 2.82Å; R222-E224 PolarHBondContact NE-OE1 2.85Å; R222-E224 IonicContact NH2-OE1 3.71Å; R222-E224 PolarHBondContact NH2-OE1 3.13Å; R222-E224 PolarHBondContact O-N 3.21Å; R222-L225 HydrophobicContact CB-CB 3.93Å; R222-L225 HydrophobicContact CB-CD2 4.23Å; R222-L225 WeakPolarHBondContact O-CB 3.38Å; R222-L225 PolarHBondContact O-N 3.21Å; R222-L225 VanDerWaalsContact O-N 3.14Å
223P97.9Very high97.4Very high25 Ų2532.6 Ų32.616%0.16216%0.161CC..THydrogen-bonded Turntrans-60.5-27.5-178.727.7-35.9000112.9T221 L225 I276 R278 A305 V307T221-P223 VanDerWaalsContact O-CD 3.26Å; T221-P223 WeakPolarHBondContact O-CD 3.44Å; P223-L225 VanDerWaalsContact C-N 3.33Å; P223-I276 HydrophobicContact CB-CD1 4.02Å; P223-R278 PolarHBondContact O-NH1 3.23Å; P223-R278 PolarHBondContact O-NH2 2.94Å; P223-A305 HydrophobicContact CB-CB 3.69Å; P223-A305 HydrophobicContact CG-CB 4.03Å; P223-V307 HydrophobicContact CB-CG2 3.92Å; P223-V307 HydrophobicContact CG-CG2 4.05Å
224E98.1Very high97.2Very high51 Ų5132.9 Ų32.924%0.23816%0.164CC..THydrogen-bonded Turntrans-79.5-10.6-18080-58.8151.300114.5R222 L226 V307 F309 L312R222-E224 VanDerWaalsContact C-OE2 3.31Å; R222-E224 WeakPolarHBondContact CA-OE2 3.29Å; R222-E224 IonicContact CZ-OE1 3.53Å; R222-E224 IonicContact NE-OE1 2.82Å; R222-E224 PolarHBondContact NE-OE1 2.85Å; R222-E224 IonicContact NH2-OE1 3.71Å; R222-E224 PolarHBondContact NH2-OE1 3.13Å; R222-E224 PolarHBondContact O-N 3.21Å; E224-L226 PolarHBondContact O-N 3.18Å; E224-V307 HydrophobicContact CB-CG1 3.7Å; E224-V307 HydrophobicContact CB-CG2 4.31Å; E224-F309 WeakPolarHBondContact O-CE1 3.33Å; E224-L312 HydrophobicContact CB-CD1 3.87Å
225L98.2Very high97.2Very high33 Ų3333 Ų3317%0.17317%0.166CC..  trans-72.4129-175.8-178.559000111.5R222 P223 Y227 E275R222-L225 HydrophobicContact CB-CB 3.93Å; R222-L225 HydrophobicContact CB-CD2 4.23Å; R222-L225 WeakPolarHBondContact O-CB 3.38Å; R222-L225 PolarHBondContact O-N 3.21Å; R222-L225 VanDerWaalsContact O-N 3.14Å; P223-L225 VanDerWaalsContact C-N 3.33Å; L225-Y227 HydrophobicContact CD2-CE2 3.86Å; L225-Y227 WeakPolarHBondContact CD2-OH 3.44Å; L225-Y227 HydrophobicContact CG-CD2 4.47Å; L225-Y227 HydrophobicContact CG-CE2 3.69Å; L225-E275 HydrophobicContact CB-CB 4.03Å; L225-E275 HydrophobicContact CD2-CB 4.43Å; L225-E275 HydrophobicContact CG-CB 4.32Å; L225-E275 PolarHBondContact O-N 3.24Å
226L98.7Very high97.4Very high1 Ų128.1 Ų28.11%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-122.4157.9177.5-54.8-176.3000110.2Y189 E224 I272 R273 P274 F309 L314 Y316 L317Y189-L226 HydrophobicContact CD2-CD1 4.49Å; Y189-L226 HydrophobicContact CD2-CD2 3.98Å; Y189-L226 HydrophobicContact CE2-CD1 4.19Å; Y189-L226 HydrophobicContact CE2-CD2 3.67Å; E224-L226 PolarHBondContact O-N 3.18Å; L226-I272 HydrophobicContact CB-CG2 4.24Å; L226-I272 HydrophobicContact CD1-CG2 4.07Å; L226-R273 CarbonylContact C-O 3.54Å; L226-R273 WeakPolarHBondContact CA-O 3.38Å; L226-P274 HydrophobicContact CD2-CB 3.83Å; L226-F309 HydrophobicContact CD1-CD1 3.98Å; L226-F309 HydrophobicContact CD1-CE1 3.89Å; L226-F309 HydrophobicContact CD2-CD1 4.47Å; L226-F309 HydrophobicContact CD2-CE1 3.62Å; L226-F309 HydrophobicContact CD2-CZ 4.03Å; L226-F309 HydrophobicContact CG-CD1 4.4Å; L226-F309 HydrophobicContact CG-CE1 3.81Å; L226-L314 HydrophobicContact CD1-CD1 4.09Å; L226-L314 HydrophobicContact CD1-CD2 4.07Å; L226-Y316 PolarHBondContact N-OH 2.83Å; L226-Y316 PolarHBondContact O-OH 2.75Å; L226-L317 HydrophobicContact CB-CD1 3.76Å; L226-L317 HydrophobicContact CB-CD2 4.3Å; L226-L317 HydrophobicContact CD1-CD1 3.9Å; L226-L317 HydrophobicContact CG-CD1 4.42Å
227Y98.8Very high97.5Very high10 Ų1023.2 Ų23.24%0.03912%0.118CC..EExtended strand (participates in β ladder)trans-133.1156.6179.3-64.4-94.8000110.8L225 I272 R273 E275 Y322 P393 R400L225-Y227 HydrophobicContact CD2-CE2 3.86Å; L225-Y227 WeakPolarHBondContact CD2-OH 3.44Å; L225-Y227 HydrophobicContact CG-CD2 4.47Å; L225-Y227 HydrophobicContact CG-CE2 3.69Å; Y227-I272 CarbonylContact O-C 3.49Å; Y227-I272 WeakPolarHBondContact O-CA 3.46Å; Y227-R273 VanDerWaalsContact CB-CZ 3.44Å; Y227-R273 PolarHBondContact N-O 3.04Å; Y227-R273 PolarHBondContact O-N 3.43Å; Y227-E275 HydrophobicContact CE2-CB 4.01Å; Y227-E275 WeakPolarHBondContact CE2-OE2 3.3Å; Y227-E275 PolarHBondContact OH-OE2 2.82Å; Y227-Y322 WeakPolarHBondContact CD1-OH 3.38Å; Y227-P393 HydrophobicContact CD1-CG 3.98Å; Y227-P393 HydrophobicContact CE1-CB 4.16Å; Y227-P393 HydrophobicContact CE1-CG 3.9Å; Y227-R400 PolarHBondContact OH-NH1 3.38Å; Y227-R400 PolarHBondContact OH-NH2 2.67Å
228R98.8Very high97.6Very high1 Ų123.1 Ų23.10%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-82.1149.1157-59.8179.872.196.3-3.2109D200 T202 A270 C271 I272 L317 E319 Y322 Y388D200-R228 IonicContact OD2-CZ 3.07Å; D200-R228 IonicContact OD2-NH1 2.85Å; D200-R228 PolarHBondContact OD2-NH1 3.39Å; D200-R228 IonicContact OD2-NH2 2.81Å; T202-R228 PolarHBondContact O-NH2 2.87Å; T202-R228 PolarHBondContact OG1-NH2 3.27Å; R228-A270 HydrophobicContact CB-CB 4.18Å; R228-C271 CarbonylContact C-O 3.55Å; R228-C271 WeakPolarHBondContact CA-O 3.48Å; R228-I272 HydrophobicContact CG-CD1 4.06Å; R228-L317 WeakPolarHBondContact CD-O 3.14Å; R228-L317 HydrophobicContact CG-CD2 4.43Å; R228-L317 PolarHBondContact NH1-O 3.26Å; R228-E319 IonicContact CZ-OE2 3.71Å; R228-E319 IonicContact NE-OE2 3.69Å; R228-E319 PolarHBondContact NE-OE2 3.17Å; R228-E319 IonicContact NH2-OE2 2.75Å; R228-E319 PolarHBondContact NH2-OE2 3.32Å; R228-Y322 HydrophobicContact CB-CD1 4.02Å; R228-Y322 HydrophobicContact CB-CE1 3.69Å; R228-Y322 HydrophobicContact CG-CD1 3.78Å; R228-Y322 HydrophobicContact CG-CD2 4.32Å; R228-Y322 HydrophobicContact CG-CE1 3.87Å; R228-Y322 HydrophobicContact CG-CE2 4.42Å; R228-Y322 HydrophobicContact CG-CG 3.98Å; R228-Y322 PolarHBondContact N-OH 2.93Å; R228-Y388 HydrophobicContact CB-CD2 3.71Å; R228-Y388 HydrophobicContact CB-CE2 3.92Å; R228-Y388 HydrophobicContact CB-CG 4.18Å; R228-Y388 WeakPolarHBondContact O-CB 3.37Å
229T98.7Very high97.6Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-143.5131.9174.1175.10000109.2F231 P233 A270 C271 R273 A387T229-F231 WeakPolarHBondContact CG2-O 3.38Å; T229-F231 PolarHBondContact OG1-N 3.29Å; T229-F231 PolarHBondContact OG1-O 2.81Å; T229-P233 HydrophobicContact CG2-CG 4.01Å; T229-A270 CarbonylContact O-C 3.54Å; T229-A270 VanDerWaalsContact O-CA 3.29Å; T229-A270 WeakPolarHBondContact O-CA 3.35Å; T229-A270 WeakPolarHBondContact O-CB 3.23Å; T229-C271 HydrophobicContact CG2-CB 4.07Å; T229-C271 WeakPolarHBondContact CG2-O 3.29Å; T229-C271 PolarHBondContact N-O 3.47Å; T229-C271 PolarHBondContact O-N 2.85Å; T229-R273 HydrophobicContact CG2-CB 4.02Å; T229-R273 HydrophobicContact CG2-CG 3.74Å; T229-A387 CarbonylContact C-O 3.55Å; T229-A387 WeakPolarHBondContact CA-O 3.2Å
230D98.6Very high97.7Very high14 Ų1423.6 Ų23.68%0.07512%0.12CC..SBendtrans-78.7-15.4172.6-63.2-31.6000111.1R266 V383 A387 M389 Y412D230-R266 WeakPolarHBondContact O-CD 3.34Å; D230-R266 PolarHBondContact O-NE 3.29Å; D230-V383 HydrophobicContact CB-CG1 3.89Å; D230-A387 PolarHBondContact N-O 2.96Å; D230-M389 PolarHBondContact OD2-N 3.41Å; D230-Y412 HydrophobicContact CB-CE2 3.99Å; D230-Y412 WeakPolarHBondContact CB-OH 3.3Å; D230-Y412 WeakPolarHBondContact OD2-CE2 3.34Å; D230-Y412 PolarHBondContact OD2-OH 2.62Å
231F98.3Very high97.8Very high2 Ų222.4 Ų22.41%0.00911%0.109CC..SBendtrans-82.9135173-164.6-91.8000110.8T229 P233 R261 K380 V383 R385T229-F231 WeakPolarHBondContact CG2-O 3.38Å; T229-F231 PolarHBondContact OG1-N 3.29Å; T229-F231 PolarHBondContact OG1-O 2.81Å; F231-P233 WeakPolarHBondContact O-CD 3.38Å; F231-R261 HydrophobicContact CZ-CG 4.49Å; F231-R261 VanDerWaalsContact CZ-NE 3.31Å; F231-K380 HydrophobicContact CE2-CB 3.87Å; F231-K380 HydrophobicContact CE2-CG 3.61Å; F231-K380 HydrophobicContact CZ-CG 4.07Å; F231-V383 HydrophobicContact CB-CG1 3.92Å; F231-V383 HydrophobicContact CD2-CB 4.42Å; F231-V383 HydrophobicContact CD2-CG1 4.24Å; F231-V383 WeakPolarHBondContact CD2-O 3.29Å; F231-R385 HydrophobicContact CE1-CG 4.12Å; F231-R385 HydrophobicContact CE2-CG 4.12Å; F231-R385 HydrophobicContact CZ-CG 3.91Å
232F98.3Very high97.9Very high1 Ų125.1 Ų25.10%0.00411%0.113CC..  trans-79.8109.1171.3174.6-109.1000110.9F204 C205 W237 W256 M260 R261F204-F232 HydrophobicContact CE2-CD2 4.04Å; F204-F232 HydrophobicContact CZ-CB 4.17Å; F204-F232 HydrophobicContact CZ-CD2 4.33Å; C205-F232 HydrophobicContact CB-CE2 4.47Å; C205-F232 VanDerWaalsContact SG-CD2 3.56Å; F232-W237 AromaticContact CE2-CD2 3.84Å; F232-W237 HydrophobicContact CE2-CD2 3.84Å; F232-W237 AromaticContact CE2-CE3 3.72Å; F232-W237 HydrophobicContact CE2-CE3 3.72Å; F232-W237 HydrophobicContact CE2-CG 4.29Å; F232-W237 HydrophobicContact CE2-CH2 4.5Å; F232-W237 HydrophobicContact CE2-CZ3 4.05Å; F232-W237 AromaticContact CZ-CD2 3.74Å; F232-W237 HydrophobicContact CZ-CD2 3.74Å; F232-W237 AromaticContact CZ-CE2 3.72Å; F232-W237 AromaticContact CZ-CE3 3.99Å; F232-W237 HydrophobicContact CZ-CE3 3.99Å; F232-W237 HydrophobicContact CZ-CG 4.2Å; F232-W237 HydrophobicContact CZ-CH2 4.18Å; F232-W237 AromaticContact CZ-CZ2 3.96Å; F232-W237 HydrophobicContact CZ-CZ2 3.96Å; F232-W237 HydrophobicContact CZ-CZ3 4.18Å; F232-W256 AromaticContact CE1-CH2 3.99Å; F232-W256 HydrophobicContact CE1-CH2 3.99Å; F232-W256 AromaticContact CE1-CZ3 3.58Å; F232-W256 HydrophobicContact CE1-CZ3 3.58Å; F232-W256 HydrophobicContact CZ-CH2 4.13Å; F232-W256 AromaticContact CZ-CZ3 3.75Å; F232-W256 HydrophobicContact CZ-CZ3 3.75Å; F232-M260 HydrophobicContact CB-CB 4.36Å; F232-M260 HydrophobicContact CD1-CB 3.47Å; F232-M260 VanDerWaalsContact CD1-CB 3.47Å; F232-M260 HydrophobicContact CD1-CG 4.29Å; F232-M260 HydrophobicContact CD2-CB 4.44Å; F232-M260 HydrophobicContact CD2-CE 4.11Å; F232-M260 HydrophobicContact CE1-CB 3.81Å; F232-M260 HydrophobicContact CE1-CG 4.12Å; F232-M260 HydrophobicContact CE2-CE 3.82Å; F232-M260 HydrophobicContact CG-CB 3.83Å; F232-M260 HydrophobicContact CZ-CB 4.44Å; F232-M260 HydrophobicContact CZ-CE 4.04Å; F232-M260 HydrophobicContact CZ-CG 4.47Å; F232-R261 HydrophobicContact CB-CG 3.87Å; F232-R261 HydrophobicContact CD1-CG 4.49Å; F232-R261 PolarHBondContact O-NE 3.47Å; F232-R261 VanDerWaalsContact O-NE 3.16Å
233P96.7Very high98Very high4 Ų420 Ų203%0.0269%0.094CC..  trans-84.4-31.8-172.3-11.330.5000113.7F209 T229 F231F209-P233 HydrophobicContact CD1-CB 4.27Å; T229-P233 HydrophobicContact CG2-CG 4.01Å; F231-P233 WeakPolarHBondContact O-CD 3.38Å
234G94.1Very high98Very high5 Ų518.8 Ų18.85%0.0529%0.086CC..  trans74.6-142.4-176.900000113.6S207 G236S207-G234 PolarHBondContact OG-O 2.86Å; G234-G236 PolarHBondContact O-N 3.06Å
235L95.1Very high98Very high25 Ų2520.2 Ų20.213%0.13110%0.095CC..SBendtrans44.765.6171.7-65.2177.2000114.3L180 F209 S279 L297L180-L235 HydrophobicContact CD2-CB 4.47Å; L180-L235 HydrophobicContact CD2-CD2 3.95Å; F209-L235 HydrophobicContact CB-CB 3.79Å; F209-L235 HydrophobicContact CD1-CB 4.3Å; F209-L235 HydrophobicContact CD1-CD1 3.75Å; F209-L235 HydrophobicContact CD1-CG 4.47Å; F209-L235 HydrophobicContact CD2-CB 4.17Å; F209-L235 HydrophobicContact CD2-CD1 3.76Å; F209-L235 HydrophobicContact CE1-CD1 3.65Å; F209-L235 HydrophobicContact CE2-CD1 3.66Å; F209-L235 HydrophobicContact CG-CB 3.85Å; F209-L235 HydrophobicContact CG-CD1 3.8Å; F209-L235 HydrophobicContact CG-CG 4.4Å; F209-L235 HydrophobicContact CZ-CD1 3.62Å; L235-S279 WeakPolarHBondContact O-CB 3.45Å; L235-S279 PolarHBondContact O-OG 3.22Å; L235-L297 HydrophobicContact CD1-CD2 4.38Å
236G98.2Very high98Very high0 Ų021.9 Ų21.90%010%0.102CC..SBendtrans86.494.4-172.200000110.8I175 A208 G234I175-G236 CarbonylContact O-C 3.58Å; I175-G236 WeakPolarHBondContact O-CA 3.38Å; A208-G236 WeakPolarHBondContact CB-O 3.05Å; A208-G236 PolarHBondContact N-O 2.89Å; G234-G236 PolarHBondContact O-N 3.06Å
237W98.7Very high98Very high0 Ų022 Ų220%010%0.103CC..EExtended strand (participates in β ladder)trans-150.9155.8-170.860.6-77000113.2Y157 I174 I175 C205 A206 F232 L239 W256 M260Y157-W237 HydrophobicContact CD1-CZ2 4.48Å; Y157-W237 HydrophobicContact CE1-CZ2 4.22Å; I174-W237 CarbonylContact C-O 3.46Å; I174-W237 WeakPolarHBondContact CA-O 3.4Å; I175-W237 HydrophobicContact CD1-CD2 3.92Å; I175-W237 VanDerWaalsContact CD1-CE2 3.4Å; I175-W237 HydrophobicContact CD1-CE3 4.15Å; I175-W237 HydrophobicContact CD1-CH2 3.48Å; I175-W237 VanDerWaalsContact CD1-CH2 3.48Å; I175-W237 HydrophobicContact CD1-CZ2 3.18Å; I175-W237 HydrophobicContact CD1-CZ3 3.97Å; I175-W237 HydrophobicContact CG1-CZ2 4.49Å; I175-W237 PolarHBondContact N-O 2.86Å; I175-W237 PolarHBondContact O-N 3.46Å; C205-W237 HydrophobicContact CB-CE3 4.39Å; A206-W237 CarbonylContact O-C 3.08Å; A206-W237 WeakPolarHBondContact O-CA 3.26Å; A206-W237 VanDerWaalsContact O-CB 3.28Å; A206-W237 WeakPolarHBondContact O-CB 3.25Å; F232-W237 AromaticContact CE2-CD2 3.84Å; F232-W237 HydrophobicContact CE2-CD2 3.84Å; F232-W237 AromaticContact CE2-CE3 3.72Å; F232-W237 HydrophobicContact CE2-CE3 3.72Å; F232-W237 HydrophobicContact CE2-CG 4.29Å; F232-W237 HydrophobicContact CE2-CH2 4.5Å; F232-W237 HydrophobicContact CE2-CZ3 4.05Å; F232-W237 AromaticContact CZ-CD2 3.74Å; F232-W237 HydrophobicContact CZ-CD2 3.74Å; F232-W237 AromaticContact CZ-CE2 3.72Å; F232-W237 AromaticContact CZ-CE3 3.99Å; F232-W237 HydrophobicContact CZ-CE3 3.99Å; F232-W237 HydrophobicContact CZ-CG 4.2Å; F232-W237 HydrophobicContact CZ-CH2 4.18Å; F232-W237 AromaticContact CZ-CZ2 3.96Å; F232-W237 HydrophobicContact CZ-CZ2 3.96Å; F232-W237 HydrophobicContact CZ-CZ3 4.18Å; W237-L239 HydrophobicContact CE3-CB 4.27Å; W237-L239 HydrophobicContact CE3-CD2 4.27Å; W237-L239 HydrophobicContact CH2-CD1 4.04Å; W237-L239 HydrophobicContact CH2-CD2 4.24Å; W237-L239 HydrophobicContact CZ3-CB 3.82Å; W237-L239 HydrophobicContact CZ3-CD1 3.77Å; W237-L239 HydrophobicContact CZ3-CD2 3.79Å; W237-L239 HydrophobicContact CZ3-CG 3.99Å; W237-W256 AromaticContact CE2-CH2 3.98Å; W237-W256 HydrophobicContact CH2-CZ3 4.2Å; W237-W256 HydrophobicContact CZ2-CE3 4.49Å; W237-W256 AromaticContact CZ2-CH2 3.73Å; W237-W256 HydrophobicContact CZ2-CH2 3.73Å; W237-W256 AromaticContact CZ2-CZ3 3.49Å; W237-W256 HydrophobicContact CZ2-CZ3 3.49Å; W237-W256 VanDerWaalsContact CZ2-CZ3 3.49Å; W237-W256 AromaticContact NE1-CH2 3.8Å; W237-M260 HydrophobicContact CH2-CE 3.91Å; W237-M260 HydrophobicContact CZ3-CE 3.83Å
238M98.8Very high98Very high0 Ų023.7 Ų23.70%011%0.109CC..EExtended strand (participates in β ladder)trans-116142.3179.9174.1-173.8-72.800110.7I68 V173 I174 F190 Y194 L197 C205 A206I68-M238 HydrophobicContact CD1-CE 4.34Å; I68-M238 HydrophobicContact CG2-CE 3.63Å; V173-M238 VanDerWaalsContact O-CA 3.24Å; V173-M238 WeakPolarHBondContact O-CA 3.4Å; I174-M238 HydrophobicContact CD1-CE 3.91Å; I174-M238 HydrophobicContact CG1-CB 4.32Å; I174-M238 HydrophobicContact CG1-CE 3.44Å; I174-M238 VanDerWaalsContact CG1-CE 3.44Å; F190-M238 HydrophobicContact CB-CE 3.68Å; F190-M238 HydrophobicContact CD1-CB 3.5Å; F190-M238 VanDerWaalsContact CD1-CB 3.5Å; F190-M238 HydrophobicContact CD1-CE 3.75Å; F190-M238 HydrophobicContact CD1-CG 4.45Å; F190-M238 HydrophobicContact CD1-SD 4.33Å; F190-M238 HydrophobicContact CE1-CB 3.49Å; F190-M238 VanDerWaalsContact CE1-CB 3.49Å; F190-M238 HydrophobicContact CG-CE 4.04Å; F190-M238 WeakPolarHBondContact O-CE 3.36Å; Y194-M238 HydrophobicContact CD2-SD 4.17Å; L197-M238 HydrophobicContact CD1-CB 4.33Å; L197-M238 HydrophobicContact CD1-CG 3.89Å; L197-M238 HydrophobicContact CD1-SD 3.71Å; C205-M238 CarbonylContact C-O 3.59Å; C205-M238 WeakPolarHBondContact CA-O 3.49Å; C205-M238 WeakPolarHBondContact CB-O 3.35Å; A206-M238 PolarHBondContact N-O 3.38Å; A206-M238 PolarHBondContact O-N 2.86Å
239L98.6Very high97.9Very high1 Ų130.5 Ų30.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-139.4158.9169.276.7171.8000111.4L161 F165 T172 V173 I175 W237 F243 W244L161-L239 HydrophobicContact CD2-CD2 4.16Å; F165-L239 HydrophobicContact CE2-CD1 4.21Å; F165-L239 HydrophobicContact CE2-CD2 4.17Å; F165-L239 HydrophobicContact CE2-CG 4.1Å; F165-L239 HydrophobicContact CZ-CD2 4.06Å; F165-L239 HydrophobicContact CZ-CG 3.94Å; T172-L239 WeakPolarHBondContact CA-O 3.39Å; T172-L239 PolarHBondContact OG1-O 2.76Å; V173-L239 HydrophobicContact CG1-CD2 3.35Å; V173-L239 HydrophobicContact CG1-CG 4.46Å; V173-L239 PolarHBondContact N-O 3.39Å; V173-L239 VanDerWaalsContact N-O 3.13Å; V173-L239 PolarHBondContact O-N 2.8Å; I175-L239 HydrophobicContact CD1-CD2 3.61Å; I175-L239 HydrophobicContact CG1-CD2 4.33Å; W237-L239 HydrophobicContact CE3-CB 4.27Å; W237-L239 HydrophobicContact CE3-CD2 4.27Å; W237-L239 HydrophobicContact CH2-CD1 4.04Å; W237-L239 HydrophobicContact CH2-CD2 4.24Å; W237-L239 HydrophobicContact CZ3-CB 3.82Å; W237-L239 HydrophobicContact CZ3-CD1 3.77Å; W237-L239 HydrophobicContact CZ3-CD2 3.79Å; W237-L239 HydrophobicContact CZ3-CG 3.99Å; L239-F243 HydrophobicContact CB-CD1 4.31Å; L239-F243 HydrophobicContact CD1-CD1 4.19Å; L239-W244 HydrophobicContact CD1-CB 4.39Å
240L98.5Very high97.7Very high29 Ų2932.8 Ų32.815%0.15216%0.164CC..EExtended strand (participates in β ladder)trans-95.2151.8174.5-57.8-174.8000111.5Y194 L197 T198 K242 F243 W244Y194-L240 HydrophobicContact CD2-CD2 4.36Å; Y194-L240 HydrophobicContact CE2-CD2 4.28Å; L197-L240 HydrophobicContact CB-CD1 4.15Å; L197-L240 HydrophobicContact CB-CD2 4.44Å; L197-L240 HydrophobicContact CB-CG 4.26Å; L197-L240 VanDerWaalsContact O-CD1 3.28Å; L197-L240 WeakPolarHBondContact O-CD1 3.14Å; T198-L240 HydrophobicContact CG2-CD1 4.14Å; T198-L240 HydrophobicContact CG2-CD2 4.15Å; L240-K242 PolarHBondContact O-N 3.33Å; L240-F243 PolarHBondContact O-N 3.15Å; L240-W244 PolarHBondContact O-N 2.91Å; L240-W244 VanDerWaalsContact O-N 3.11Å
241R98.5Very high97.7Very high72 Ų7233 Ų3327%0.27216%0.164SC..Hα-helixtrans-52.4-39.7173.9-177.1177.7-178.6-1729.9112.3F165 N169 Y170 S171 F243 W244 L245F165-R241 HydrophobicContact CB-CG 4.24Å; F165-R241 HydrophobicContact CD1-CB 3.52Å; F165-R241 HydrophobicContact CD1-CG 3.84Å; F165-R241 HydrophobicContact CE1-CB 3.73Å; F165-R241 HydrophobicContact CG-CB 4.34Å; F165-R241 HydrophobicContact CG-CG 4.26Å; F165-R241 PolarHBondContact O-NE 3.47Å; N169-R241 VanDerWaalsContact OD1-CZ 3.25Å; N169-R241 PolarHBondContact OD1-NH1 2.88Å; N169-R241 PolarHBondContact OD1-NH2 2.76Å; Y170-R241 WeakPolarHBondContact O-CD 3.46Å; S171-R241 WeakPolarHBondContact O-CB 3.5Å; S171-R241 PolarHBondContact O-N 3.42Å; R241-F243 VanDerWaalsContact C-N 3.25Å; R241-F243 PolarHBondContact O-N 2.69Å; R241-W244 WeakPolarHBondContact O-CB 3.22Å; R241-W244 PolarHBondContact O-N 3.29Å; R241-W244 VanDerWaalsContact O-N 3.12Å; R241-L245 HydrophobicContact CG-CD1 4.05Å; R241-L245 HydrophobicContact CG-CG 4.1Å; R241-L245 WeakPolarHBondContact O-CG 3.5Å; R241-L245 PolarHBondContact O-N 3.15Å
242K97.7Very high97.7Very high138 Ų13834.4 Ų34.460%0.617%0.173SC*.Hα-helixtrans-53.9-43.9178.1179.1-178.5173-176.80111.6N201 L240 E246N201-K242 PolarHBondContact OD1-NZ 2.75Å; L240-K242 PolarHBondContact O-N 3.33Å; K242-E246 PolarHBondContact O-N 3.2Å
243F98.4Very high97.5Very high7 Ų737.5 Ų37.53%0.03119%0.19CC..Hα-helixtrans-75-37.5178.2177.6-114.3000111.6F204 L239 L240 R241 L245 E246 I247 M260 V265F204-F243 HydrophobicContact CB-CD1 4.39Å; F204-F243 HydrophobicContact CB-CD2 4.02Å; F204-F243 HydrophobicContact CB-CE1 4.46Å; F204-F243 HydrophobicContact CB-CE2 4.08Å; F204-F243 HydrophobicContact CB-CG 4.17Å; F204-F243 HydrophobicContact CB-CZ 4.3Å; F204-F243 HydrophobicContact CD2-CD1 4.22Å; F204-F243 AromaticContact CD2-CE1 3.57Å; F204-F243 HydrophobicContact CD2-CE1 3.57Å; F204-F243 HydrophobicContact CD2-CE2 4.04Å; F204-F243 AromaticContact CD2-CZ 3.46Å; F204-F243 HydrophobicContact CD2-CZ 3.46Å; F204-F243 VanDerWaalsContact CD2-CZ 3.46Å; F204-F243 HydrophobicContact CE2-CE1 4.34Å; F204-F243 HydrophobicContact CE2-CZ 4.14Å; F204-F243 HydrophobicContact CG-CE1 4.48Å; F204-F243 HydrophobicContact CG-CE2 4.38Å; F204-F243 HydrophobicContact CG-CZ 4.22Å; L239-F243 HydrophobicContact CB-CD1 4.31Å; L239-F243 HydrophobicContact CD1-CD1 4.19Å; L240-F243 PolarHBondContact O-N 3.15Å; R241-F243 VanDerWaalsContact C-N 3.25Å; R241-F243 PolarHBondContact O-N 2.69Å; F243-L245 PolarHBondContact O-N 3.15Å; F243-E246 VanDerWaalsContact O-CB 3.31Å; F243-E246 WeakPolarHBondContact O-CB 3.4Å; F243-E246 PolarHBondContact O-N 3.44Å; F243-E246 VanDerWaalsContact O-N 3.15Å; F243-I247 HydrophobicContact CD1-CD1 4.24Å; F243-I247 HydrophobicContact CD2-CG2 4.14Å; F243-I247 HydrophobicContact CE1-CD1 3.63Å; F243-I247 HydrophobicContact CE1-CG2 4.44Å; F243-I247 HydrophobicContact CE2-CG2 3.57Å; F243-I247 HydrophobicContact CZ-CD1 3.86Å; F243-I247 HydrophobicContact CZ-CG2 3.75Å; F243-I247 PolarHBondContact O-N 3.29Å; F243-M260 HydrophobicContact CE1-CE 3.52Å; F243-M260 HydrophobicContact CE1-SD 4Å; F243-M260 HydrophobicContact CZ-CE 4.02Å; F243-M260 HydrophobicContact CZ-SD 4.16Å; F243-V265 HydrophobicContact CE2-CG1 4.32Å; F243-V265 HydrophobicContact CZ-CG1 3.96Å
244W98.6Very high97.4Very high0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-57.1-48173.2178.4-117.1000112.7K158 L161 D162 F165 L239 L240 R241 E246 I247 R248 W251K158-W244 HydrophobicContact CB-CH2 4.46Å; K158-W244 HydrophobicContact CG-CH2 4.14Å; K158-W244 HydrophobicContact CG-CZ2 4.36Å; L161-W244 HydrophobicContact CB-CD2 3.95Å; L161-W244 HydrophobicContact CB-CE3 4.1Å; L161-W244 HydrophobicContact CB-CH2 3.83Å; L161-W244 HydrophobicContact CB-CZ2 3.61Å; L161-W244 HydrophobicContact CB-CZ3 4.05Å; L161-W244 HydrophobicContact CD1-CD2 4.45Å; L161-W244 HydrophobicContact CD1-CE3 3.77Å; L161-W244 HydrophobicContact CD1-CH2 3.93Å; L161-W244 HydrophobicContact CD1-CZ3 3.48Å; L161-W244 VanDerWaalsContact CD1-CZ3 3.48Å; L161-W244 HydrophobicContact CG-CE3 4.49Å; L161-W244 HydrophobicContact CG-CZ3 4.4Å; D162-W244 WeakPolarHBondContact OD1-CZ2 3.39Å; D162-W244 PolarHBondContact OD1-NE1 3.11Å; F165-W244 HydrophobicContact CB-CG 4.45Å; F165-W244 HydrophobicContact CD2-CB 3.59Å; F165-W244 AromaticContact CD2-CD1 3.27Å; F165-W244 HydrophobicContact CD2-CD2 4.07Å; F165-W244 AromaticContact CD2-CG 3.32Å; F165-W244 HydrophobicContact CD2-CG 3.32Å; F165-W244 AromaticContact CD2-NE1 3.93Å; F165-W244 HydrophobicContact CE2-CB 3.59Å; F165-W244 HydrophobicContact CE2-CD2 4.4Å; F165-W244 AromaticContact CE2-CG 3.75Å; F165-W244 HydrophobicContact CE2-CG 3.75Å; F165-W244 HydrophobicContact CG-CB 4.26Å; F165-W244 AromaticContact CG-CD1 3.72Å; F165-W244 HydrophobicContact CG-CG 4.11Å; F165-W244 HydrophobicContact CZ-CB 4.28Å; L239-W244 HydrophobicContact CD1-CB 4.39Å; L240-W244 PolarHBondContact O-N 2.91Å; L240-W244 VanDerWaalsContact O-N 3.11Å; R241-W244 WeakPolarHBondContact O-CB 3.22Å; R241-W244 PolarHBondContact O-N 3.29Å; R241-W244 VanDerWaalsContact O-N 3.12Å; W244-E246 PolarHBondContact O-N 3.44Å; W244-I247 HydrophobicContact CE3-CD1 4.18Å; W244-I247 HydrophobicContact CE3-CG1 3.99Å; W244-I247 HydrophobicContact CZ3-CD1 4.37Å; W244-I247 HydrophobicContact CZ3-CG1 4.27Å; W244-I247 PolarHBondContact O-N 3.01Å; W244-I247 VanDerWaalsContact O-N 3.11Å; W244-R248 HydrophobicContact CD2-CB 3.94Å; W244-R248 HydrophobicContact CE3-CB 4.31Å; W244-R248 HydrophobicContact CH2-CB 3.91Å; W244-R248 HydrophobicContact CZ2-CB 3.53Å; W244-R248 HydrophobicContact CZ3-CB 4.29Å; W244-R248 VanDerWaalsContact O-CB 3.28Å; W244-R248 WeakPolarHBondContact O-CB 3.42Å; W244-R248 WeakPolarHBondContact O-CG 3.05Å; W244-R248 PolarHBondContact O-N 2.89Å; W244-W251 HydrophobicContact CH2-CD2 4.22Å; W244-W251 HydrophobicContact CH2-CE3 4.14Å; W244-W251 HydrophobicContact CZ3-CD2 4.18Å; W244-W251 AromaticContact CZ3-CE3 3.65Å; W244-W251 HydrophobicContact CZ3-CE3 3.65Å; W244-W251 HydrophobicContact CZ3-CH2 4.27Å; W244-W251 AromaticContact CZ3-CZ3 3.73Å; W244-W251 HydrophobicContact CZ3-CZ3 3.73Å
245L98.5Very high97.3Very high81 Ų8143.5 Ų43.542%0.42421%0.214SC..Hα-helixtrans-60-28.6178.3-69.3176.8000112.8M166 R241 F243M166-L245 HydrophobicContact CE-CD2 4.09Å; M166-L245 HydrophobicContact SD-CD2 3.66Å; R241-L245 HydrophobicContact CG-CD1 4.05Å; R241-L245 HydrophobicContact CG-CG 4.1Å; R241-L245 WeakPolarHBondContact O-CG 3.5Å; R241-L245 PolarHBondContact O-N 3.15Å; F243-L245 PolarHBondContact O-N 3.15Å
246E98Very high97.4Very high68 Ų6843.1 Ų43.132%0.31821%0.21SC..Hα-helixtrans-72-36.8177.2-174.1-172.515500112.5K242 F243 W244 K267 R269K242-E246 PolarHBondContact O-N 3.2Å; F243-E246 VanDerWaalsContact O-CB 3.31Å; F243-E246 WeakPolarHBondContact O-CB 3.4Å; F243-E246 PolarHBondContact O-N 3.44Å; F243-E246 VanDerWaalsContact O-N 3.15Å; W244-E246 PolarHBondContact O-N 3.44Å; E246-K267 VanDerWaalsContact OE1-CD 3.27Å; E246-K267 WeakPolarHBondContact OE1-CD 3.45Å; E246-K267 WeakPolarHBondContact OE1-CE 3.09Å; E246-K267 IonicContact OE1-NZ 2.82Å; E246-K267 PolarHBondContact OE1-NZ 3.41Å; E246-R269 IonicContact OE1-CZ 3.81Å; E246-R269 IonicContact OE1-NH1 2.74Å; E246-R269 IonicContact OE1-NH2 3.62Å; E246-R269 PolarHBondContact OE1-NH2 3.13Å; E246-R269 IonicContact OE2-CZ 3.05Å; E246-R269 IonicContact OE2-NH1 3.83Å; E246-R269 PolarHBondContact OE2-NH1 3.18Å; E246-R269 IonicContact OE2-NH2 3.29Å; E246-R269 PolarHBondContact OE2-NH2 3.48Å
247I98.2Very high97.3Very high4 Ų445.2 Ų45.22%0.02122%0.222CC..Hα-helixtrans-105.9-20.6-168.770.2173.8000114.1F243 W244 E249 G250 W251 Y259 M260 V265F243-I247 HydrophobicContact CD1-CD1 4.24Å; F243-I247 HydrophobicContact CD2-CG2 4.14Å; F243-I247 HydrophobicContact CE1-CD1 3.63Å; F243-I247 HydrophobicContact CE1-CG2 4.44Å; F243-I247 HydrophobicContact CE2-CG2 3.57Å; F243-I247 HydrophobicContact CZ-CD1 3.86Å; F243-I247 HydrophobicContact CZ-CG2 3.75Å; F243-I247 PolarHBondContact O-N 3.29Å; W244-I247 HydrophobicContact CE3-CD1 4.18Å; W244-I247 HydrophobicContact CE3-CG1 3.99Å; W244-I247 HydrophobicContact CZ3-CD1 4.37Å; W244-I247 HydrophobicContact CZ3-CG1 4.27Å; W244-I247 PolarHBondContact O-N 3.01Å; W244-I247 VanDerWaalsContact O-N 3.11Å; I247-E249 VanDerWaalsContact C-N 3.3Å; I247-E249 PolarHBondContact O-N 3.14Å; I247-G250 CarbonylContact O-C 3.59Å; I247-G250 PolarHBondContact O-N 3.38Å; I247-W251 HydrophobicContact CD1-CE3 4.11Å; I247-W251 HydrophobicContact CD1-CZ3 3.74Å; I247-W251 HydrophobicContact CG1-CE3 4.39Å; I247-W251 HydrophobicContact CG1-CZ3 4.48Å; I247-W251 PolarHBondContact O-N 3.16Å; I247-W251 VanDerWaalsContact O-N 3.15Å; I247-Y259 HydrophobicContact CB-CE1 4.13Å; I247-Y259 HydrophobicContact CD1-CE1 4.47Å; I247-Y259 PolarHBondContact O-OH 3.08Å; I247-M260 HydrophobicContact CD1-SD 3.59Å; I247-M260 VanDerWaalsContact CD1-SD 3.59Å; I247-V265 HydrophobicContact CG2-CG1 3.93Å
248R97.8Very high97.1Very high45 Ų4547.5 Ų47.517%0.1723%0.233CC..G310 helixtrans-60.9-33-169.463.9179.1-67.9-74.3-11.7114.8K158 D162 W244 W251K158-R248 WeakPolarHBondContact CE-O 3.46Å; D162-R248 IonicContact OD1-CZ 3.67Å; D162-R248 IonicContact OD1-NE 3.62Å; D162-R248 PolarHBondContact OD1-NE 2.93Å; D162-R248 IonicContact OD1-NH2 2.79Å; D162-R248 PolarHBondContact OD1-NH2 3.07Å; D162-R248 IonicContact OD2-CZ 2.73Å; D162-R248 IonicContact OD2-NE 2.93Å; D162-R248 IonicContact OD2-NH2 3.71Å; D162-R248 PolarHBondContact OD2-NH2 3.03Å; W244-R248 HydrophobicContact CD2-CB 3.94Å; W244-R248 HydrophobicContact CE3-CB 4.31Å; W244-R248 HydrophobicContact CH2-CB 3.91Å; W244-R248 HydrophobicContact CZ2-CB 3.53Å; W244-R248 HydrophobicContact CZ3-CB 4.29Å; W244-R248 VanDerWaalsContact O-CB 3.28Å; W244-R248 WeakPolarHBondContact O-CB 3.42Å; W244-R248 WeakPolarHBondContact O-CG 3.05Å; W244-R248 PolarHBondContact O-N 2.89Å; R248-W251 WeakPolarHBondContact O-CB 3.39Å; R248-W251 PolarHBondContact O-N 3.23Å
249E96.5Very high97.1Very high145 Ų14548.7 Ų48.768%0.67824%0.237SC*.G310 helixtrans-70.3-36.1177.8-67.1-56.6145.600111.5I247 W251I247-E249 VanDerWaalsContact C-N 3.3Å; I247-E249 PolarHBondContact O-N 3.14Å; E249-W251 VanDerWaalsContact C-N 3.34Å
250G95.9Very high97Very high47 Ų4748.6 Ų48.649%0.48524%0.237SC..G310 helixtrans-91.612.1177.800000114.3I247 Y259I247-G250 CarbonylContact O-C 3.59Å; I247-G250 PolarHBondContact O-N 3.38Å; G250-Y259 WeakPolarHBondContact O-CE2 3.34Å; G250-Y259 PolarHBondContact O-OH 3.22Å
251W98.1Very high97Very high19 Ų1948.2 Ų48.27%0.07223%0.233CC..  trans-61.7132.1-175.9-168.9-93.3000111.1S154 K158 W244 I247 R248 E249 W256 Y259 M260S154-W251 PolarHBondContact O-NE1 3.35Å; S154-W251 PolarHBondContact OG-NE1 3.07Å; K158-W251 HydrophobicContact CB-CG 4.14Å; K158-W251 HydrophobicContact CD-CB 4.02Å; K158-W251 HydrophobicContact CD-CG 4.11Å; K158-W251 HydrophobicContact CG-CB 4.38Å; K158-W251 HydrophobicContact CG-CG 4.14Å; W244-W251 HydrophobicContact CH2-CD2 4.22Å; W244-W251 HydrophobicContact CH2-CE3 4.14Å; W244-W251 HydrophobicContact CZ3-CD2 4.18Å; W244-W251 AromaticContact CZ3-CE3 3.65Å; W244-W251 HydrophobicContact CZ3-CE3 3.65Å; W244-W251 HydrophobicContact CZ3-CH2 4.27Å; W244-W251 AromaticContact CZ3-CZ3 3.73Å; W244-W251 HydrophobicContact CZ3-CZ3 3.73Å; I247-W251 HydrophobicContact CD1-CE3 4.11Å; I247-W251 HydrophobicContact CD1-CZ3 3.74Å; I247-W251 HydrophobicContact CG1-CE3 4.39Å; I247-W251 HydrophobicContact CG1-CZ3 4.48Å; I247-W251 PolarHBondContact O-N 3.16Å; I247-W251 VanDerWaalsContact O-N 3.15Å; R248-W251 WeakPolarHBondContact O-CB 3.39Å; R248-W251 PolarHBondContact O-N 3.23Å; E249-W251 VanDerWaalsContact C-N 3.34Å; W251-W256 HydrophobicContact CH2-CB 3.86Å; W251-W256 HydrophobicContact CH2-CD2 4.12Å; W251-W256 AromaticContact CH2-CE3 3.7Å; W251-W256 HydrophobicContact CH2-CE3 3.7Å; W251-W256 HydrophobicContact CH2-CG 4.22Å; W251-W256 HydrophobicContact CZ2-CB 3.31Å; W251-W256 HydrophobicContact CZ2-CD2 4.02Å; W251-W256 HydrophobicContact CZ2-CE3 4.09Å; W251-W256 AromaticContact CZ2-CG 3.71Å; W251-W256 HydrophobicContact CZ2-CG 3.71Å; W251-Y259 HydrophobicContact CE3-CD1 4.23Å; W251-Y259 HydrophobicContact CE3-CE1 4Å; W251-Y259 HydrophobicContact CZ3-CD1 4.36Å; W251-Y259 HydrophobicContact CZ3-CE1 4.36Å; W251-M260 HydrophobicContact CZ3-SD 4.12Å
252P97.3Very high96.9Very high31 Ų3148.4 Ų48.420%0.20124%0.236CC..  trans-79.1163.6-169.636-41.4000112.8S154 I254 W256 Y259S154-P252 PolarHBondContact OG-O 3.22Å; P252-I254 WeakPolarHBondContact CB-O 3.48Å; P252-I254 WeakPolarHBondContact CG-O 3.38Å; P252-W256 HydrophobicContact CG-CB 4.22Å; P252-Y259 HydrophobicContact CG-CD1 4.25Å; P252-Y259 HydrophobicContact CG-CD2 4.34Å; P252-Y259 HydrophobicContact CG-CG 3.83Å
253D94.7Very high96.9Very high66 Ų6643 Ų4335%0.35322%0.216SC..SBendtrans-73.5-29.6174.4-171.463.3000112.4R151 S154 H155R151-D253 WeakPolarHBondContact CA-O 3.36Å; R151-D253 WeakPolarHBondContact CD-OD2 3.4Å; R151-D253 WeakPolarHBondContact CG-OD2 3.38Å; R151-D253 IonicContact CZ-OD1 2.86Å; R151-D253 IonicContact CZ-OD2 2.85Å; R151-D253 IonicContact NE-OD1 3.96Å; R151-D253 PolarHBondContact NE-OD1 2.78Å; R151-D253 IonicContact NE-OD2 2.97Å; R151-D253 PolarHBondContact NE-OD2 3.04Å; R151-D253 IonicContact NH2-OD1 3.37Å; R151-D253 PolarHBondContact NH2-OD1 2.85Å; R151-D253 VanDerWaalsContact NH2-OD1 3.15Å; R151-D253 IonicContact NH2-OD2 2.83Å; S154-D253 VanDerWaalsContact CB-O 3.22Å; S154-D253 WeakPolarHBondContact CB-O 3.3Å; H155-D253 IonicContact CD2-OD1 3.09Å; H155-D253 IonicContact CE1-OD1 2.95Å; H155-D253 IonicContact NE2-OD1 3.42Å; H155-D253 PolarHBondContact NE2-OD1 3.1Å
254I94.7Very high96.8Very high38 Ų3849.5 Ų49.520%0.19524%0.241CC..SBendtrans-142.9165.2179.359.1-177.6000111.1F147 R151 P252 W256F147-I254 HydrophobicContact CD2-CD1 4.2Å; F147-I254 HydrophobicContact CE2-CD1 3.56Å; F147-I254 HydrophobicContact CE2-CG2 4.25Å; F147-I254 HydrophobicContact CZ-CD1 4.34Å; F147-I254 HydrophobicContact CZ-CG2 4.43Å; R151-I254 HydrophobicContact CB-CG2 4.14Å; R151-I254 HydrophobicContact CG-CG2 3.19Å; P252-I254 WeakPolarHBondContact CB-O 3.48Å; P252-I254 WeakPolarHBondContact CG-O 3.38Å; I254-W256 VanDerWaalsContact C-N 3.33Å; I254-W256 PolarHBondContact O-N 3.11Å
255Y93.3Very high96.8Very high97 Ų9749.7 Ų49.738%0.3824%0.242SC..  trans52.349.5171.9-51.1-52.2000112.9Y150 D257 E258 Y259Y150-Y255 AromaticContact CD1-CD1 3.79Å; Y150-Y255 HydrophobicContact CD1-CD1 3.79Å; Y150-Y255 AromaticContact CD1-CE1 3.6Å; Y150-Y255 HydrophobicContact CD1-CE1 3.6Å; Y150-Y255 HydrophobicContact CD2-CD1 4.49Å; Y150-Y255 AromaticContact CD2-CE1 3.54Å; Y150-Y255 HydrophobicContact CD2-CE1 3.54Å; Y150-Y255 HydrophobicContact CE1-CD1 4.11Å; Y150-Y255 AromaticContact CE1-CE1 3.79Å; Y150-Y255 HydrophobicContact CE1-CE1 3.79Å; Y150-Y255 AromaticContact CE2-CE1 3.74Å; Y150-Y255 HydrophobicContact CE2-CE1 3.74Å; Y150-Y255 AromaticContact CG-CD1 4Å; Y150-Y255 HydrophobicContact CG-CD1 4Å; Y150-Y255 AromaticContact CG-CE1 3.47Å; Y150-Y255 HydrophobicContact CG-CE1 3.47Å; Y150-Y255 VanDerWaalsContact CG-CE1 3.47Å; Y150-Y255 AromaticContact CZ-CE1 3.87Å; Y255-D257 PolarHBondContact O-N 3.25Å; Y255-E258 WeakPolarHBondContact O-CB 3.2Å; Y255-E258 PolarHBondContact O-N 3.04Å; Y255-E258 VanDerWaalsContact O-N 3.08Å; Y255-Y259 PolarHBondContact O-N 2.94Å
256W97.1Very high96.7Very high17 Ų1746.6 Ų46.66%0.06423%0.225CC..Hα-helixtrans-56.5-33.1179.571.4-95.5000112.7Y157 F232 W237 W251 P252 I254 Y259 M260Y157-W256 HydrophobicContact CD1-CD2 4.27Å; Y157-W256 AromaticContact CD1-CE2 3.94Å; Y157-W256 HydrophobicContact CD1-CH2 4.23Å; Y157-W256 AromaticContact CD1-CZ2 3.95Å; Y157-W256 HydrophobicContact CD1-CZ2 3.95Å; Y157-W256 HydrophobicContact CD1-CZ3 4.49Å; Y157-W256 AromaticContact CD2-CE2 3.92Å; Y157-W256 HydrophobicContact CD2-CZ2 4.33Å; Y157-W256 AromaticContact CD2-NE1 3.55Å; Y157-W256 AromaticContact CE1-CE2 3.82Å; Y157-W256 AromaticContact CE1-CH2 3.65Å; Y157-W256 HydrophobicContact CE1-CH2 3.65Å; Y157-W256 AromaticContact CE1-CZ2 3.36Å; Y157-W256 HydrophobicContact CE1-CZ2 3.36Å; Y157-W256 HydrophobicContact CE1-CZ3 4.32Å; Y157-W256 AromaticContact CE2-CE2 3.8Å; Y157-W256 AromaticContact CE2-CZ2 3.81Å; Y157-W256 HydrophobicContact CE2-CZ2 3.81Å; Y157-W256 AromaticContact CE2-NE1 3.58Å; Y157-W256 HydrophobicContact CG-CD2 4.31Å; Y157-W256 AromaticContact CG-CE2 3.99Å; Y157-W256 HydrophobicContact CG-CZ2 4.38Å; Y157-W256 AromaticContact CG-NE1 3.97Å; Y157-W256 AromaticContact CZ-CE2 3.75Å; Y157-W256 AromaticContact CZ-CZ2 3.29Å; F232-W256 AromaticContact CE1-CH2 3.99Å; F232-W256 HydrophobicContact CE1-CH2 3.99Å; F232-W256 AromaticContact CE1-CZ3 3.58Å; F232-W256 HydrophobicContact CE1-CZ3 3.58Å; F232-W256 HydrophobicContact CZ-CH2 4.13Å; F232-W256 AromaticContact CZ-CZ3 3.75Å; F232-W256 HydrophobicContact CZ-CZ3 3.75Å; W237-W256 AromaticContact CE2-CH2 3.98Å; W237-W256 HydrophobicContact CH2-CZ3 4.2Å; W237-W256 HydrophobicContact CZ2-CE3 4.49Å; W237-W256 AromaticContact CZ2-CH2 3.73Å; W237-W256 HydrophobicContact CZ2-CH2 3.73Å; W237-W256 AromaticContact CZ2-CZ3 3.49Å; W237-W256 HydrophobicContact CZ2-CZ3 3.49Å; W237-W256 VanDerWaalsContact CZ2-CZ3 3.49Å; W237-W256 AromaticContact NE1-CH2 3.8Å; W251-W256 HydrophobicContact CH2-CB 3.86Å; W251-W256 HydrophobicContact CH2-CD2 4.12Å; W251-W256 AromaticContact CH2-CE3 3.7Å; W251-W256 HydrophobicContact CH2-CE3 3.7Å; W251-W256 HydrophobicContact CH2-CG 4.22Å; W251-W256 HydrophobicContact CZ2-CB 3.31Å; W251-W256 HydrophobicContact CZ2-CD2 4.02Å; W251-W256 HydrophobicContact CZ2-CE3 4.09Å; W251-W256 AromaticContact CZ2-CG 3.71Å; W251-W256 HydrophobicContact CZ2-CG 3.71Å; P252-W256 HydrophobicContact CG-CB 4.22Å; I254-W256 VanDerWaalsContact C-N 3.33Å; I254-W256 PolarHBondContact O-N 3.11Å; W256-Y259 WeakPolarHBondContact O-CB 3.43Å; W256-Y259 PolarHBondContact O-N 2.86Å; W256-M260 HydrophobicContact CE3-CG 3.88Å; W256-M260 HydrophobicContact CZ3-CG 4.09Å; W256-M260 WeakPolarHBondContact O-CG 3.49Å; W256-M260 PolarHBondContact O-N 3.45Å
257D95.1Very high96.6Very high45 Ų4549.2 Ų49.224%0.24124%0.235CC..Hα-helixtrans-68.2-39.3177.867.6-43.3000111.5Y255 M260 R261Y255-D257 PolarHBondContact O-N 3.25Å; D257-M260 WeakPolarHBondContact O-CB 3.49Å; D257-M260 PolarHBondContact O-N 3.27Å; D257-R261 WeakPolarHBondContact O-CG 3.22Å; D257-R261 PolarHBondContact O-N 3.24Å; D257-R261 IonicContact OD2-CZ 3.93Å; D257-R261 IonicContact OD2-NH1 3.53Å; D257-R261 PolarHBondContact OD2-NH1 2.64Å; D257-R261 IonicContact OD2-NH2 2.85Å
258E95.3Very high96.5Very high48 Ų4853.9 Ų53.922%0.22427%0.268CS..Hα-helixtrans-66.7-37.4171.7-67.3-72.7117.400112.1Y255 M260 R261 K262 K380Y255-E258 WeakPolarHBondContact O-CB 3.2Å; Y255-E258 PolarHBondContact O-N 3.04Å; Y255-E258 VanDerWaalsContact O-N 3.08Å; E258-M260 VanDerWaalsContact C-N 3.33Å; E258-R261 WeakPolarHBondContact O-CB 3.15Å; E258-R261 PolarHBondContact O-N 3.07Å; E258-R261 VanDerWaalsContact O-N 3.11Å; E258-R261 IonicContact OE1-CZ 3.33Å; E258-R261 IonicContact OE1-NH1 3.71Å; E258-R261 PolarHBondContact OE1-NH1 3.33Å; E258-K262 PolarHBondContact O-N 3.05Å; E258-K380 VanDerWaalsContact CD-NZ 3.34Å; E258-K380 WeakPolarHBondContact OE1-CE 3.4Å; E258-K380 IonicContact OE1-NZ 3.67Å; E258-K380 PolarHBondContact OE1-NZ 3.38Å; E258-K380 WeakPolarHBondContact OE2-CD 3.39Å; E258-K380 WeakPolarHBondContact OE2-CE 3.16Å; E258-K380 IonicContact OE2-NZ 3.66Å; E258-K380 PolarHBondContact OE2-NZ 3.19Å
259Y97.8Very high96.5Very high24 Ų2453.1 Ų53.19%0.09427%0.265CS..Hα-helixtrans-59.8-43.6172.4166.3-98.6000111.5I247 G250 W251 P252 Y255 W256 R261 K262 Y264 V265I247-Y259 HydrophobicContact CB-CE1 4.13Å; I247-Y259 HydrophobicContact CD1-CE1 4.47Å; I247-Y259 PolarHBondContact O-OH 3.08Å; G250-Y259 WeakPolarHBondContact O-CE2 3.34Å; G250-Y259 PolarHBondContact O-OH 3.22Å; W251-Y259 HydrophobicContact CE3-CD1 4.23Å; W251-Y259 HydrophobicContact CE3-CE1 4Å; W251-Y259 HydrophobicContact CZ3-CD1 4.36Å; W251-Y259 HydrophobicContact CZ3-CE1 4.36Å; P252-Y259 HydrophobicContact CG-CD1 4.25Å; P252-Y259 HydrophobicContact CG-CD2 4.34Å; P252-Y259 HydrophobicContact CG-CG 3.83Å; Y255-Y259 PolarHBondContact O-N 2.94Å; W256-Y259 WeakPolarHBondContact O-CB 3.43Å; W256-Y259 PolarHBondContact O-N 2.86Å; Y259-R261 PolarHBondContact O-N 3.02Å; Y259-R261 VanDerWaalsContact O-N 3.15Å; Y259-K262 WeakPolarHBondContact O-CB 3.34Å; Y259-K262 WeakPolarHBondContact O-CG 3.46Å; Y259-K262 PolarHBondContact O-N 2.78Å; Y259-Y264 HydrophobicContact CD2-CE2 4.5Å; Y259-Y264 HydrophobicContact CE2-CE2 4.03Å; Y259-V265 HydrophobicContact CD1-CG2 4.3Å; Y259-V265 HydrophobicContact CD2-CG2 3.89Å; Y259-V265 HydrophobicContact CE1-CG1 4.25Å; Y259-V265 HydrophobicContact CE1-CG2 3.91Å; Y259-V265 HydrophobicContact CE2-CG2 3.48Å; Y259-V265 VanDerWaalsContact CE2-CG2 3.48Å; Y259-V265 HydrophobicContact CG-CG2 4.28Å; Y259-V265 VanDerWaalsContact CZ-CG2 3.48Å; Y259-V265 WeakPolarHBondContact O-CG2 3.4Å
260M97.9Very high96.6Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-61.2-22.8175.5-67.9-73.1-70.500113.1F204 F232 W237 F243 I247 W251 W256 D257 E258F204-M260 HydrophobicContact CD2-CE 4.38Å; F204-M260 HydrophobicContact CE2-CE 4.03Å; F232-M260 HydrophobicContact CB-CB 4.36Å; F232-M260 HydrophobicContact CD1-CB 3.47Å; F232-M260 VanDerWaalsContact CD1-CB 3.47Å; F232-M260 HydrophobicContact CD1-CG 4.29Å; F232-M260 HydrophobicContact CD2-CB 4.44Å; F232-M260 HydrophobicContact CD2-CE 4.11Å; F232-M260 HydrophobicContact CE1-CB 3.81Å; F232-M260 HydrophobicContact CE1-CG 4.12Å; F232-M260 HydrophobicContact CE2-CE 3.82Å; F232-M260 HydrophobicContact CG-CB 3.83Å; F232-M260 HydrophobicContact CZ-CB 4.44Å; F232-M260 HydrophobicContact CZ-CE 4.04Å; F232-M260 HydrophobicContact CZ-CG 4.47Å; W237-M260 HydrophobicContact CH2-CE 3.91Å; W237-M260 HydrophobicContact CZ3-CE 3.83Å; F243-M260 HydrophobicContact CE1-CE 3.52Å; F243-M260 HydrophobicContact CE1-SD 4Å; F243-M260 HydrophobicContact CZ-CE 4.02Å; F243-M260 HydrophobicContact CZ-SD 4.16Å; I247-M260 HydrophobicContact CD1-SD 3.59Å; I247-M260 VanDerWaalsContact CD1-SD 3.59Å; W251-M260 HydrophobicContact CZ3-SD 4.12Å; W256-M260 HydrophobicContact CE3-CG 3.88Å; W256-M260 HydrophobicContact CZ3-CG 4.09Å; W256-M260 WeakPolarHBondContact O-CG 3.49Å; W256-M260 PolarHBondContact O-N 3.45Å; D257-M260 WeakPolarHBondContact O-CB 3.49Å; D257-M260 PolarHBondContact O-N 3.27Å; E258-M260 VanDerWaalsContact C-N 3.33Å
261R97.2Very high96.8Very high21 Ų2144 Ų448%0.07921%0.21CC..THydrogen-bonded Turntrans-87.7-6.2177.3-64.4171.9-172131.76.7113.6F231 F232 D257 E258 Y259 K380F231-R261 HydrophobicContact CZ-CG 4.49Å; F231-R261 VanDerWaalsContact CZ-NE 3.31Å; F232-R261 HydrophobicContact CB-CG 3.87Å; F232-R261 HydrophobicContact CD1-CG 4.49Å; F232-R261 PolarHBondContact O-NE 3.47Å; F232-R261 VanDerWaalsContact O-NE 3.16Å; D257-R261 WeakPolarHBondContact O-CG 3.22Å; D257-R261 PolarHBondContact O-N 3.24Å; D257-R261 IonicContact OD2-CZ 3.93Å; D257-R261 IonicContact OD2-NH1 3.53Å; D257-R261 PolarHBondContact OD2-NH1 2.64Å; D257-R261 IonicContact OD2-NH2 2.85Å; E258-R261 WeakPolarHBondContact O-CB 3.15Å; E258-R261 PolarHBondContact O-N 3.07Å; E258-R261 VanDerWaalsContact O-N 3.11Å; E258-R261 IonicContact OE1-CZ 3.33Å; E258-R261 IonicContact OE1-NH1 3.71Å; E258-R261 PolarHBondContact OE1-NH1 3.33Å; Y259-R261 PolarHBondContact O-N 3.02Å; Y259-R261 VanDerWaalsContact O-N 3.15Å; R261-K380 HydrophobicContact CB-CB 3.91Å; R261-K380 HydrophobicContact CB-CG 4.49Å; R261-K380 HydrophobicContact CG-CB 4.5Å
262K97.4Very high96.8Very high76 Ų7643.1 Ų43.133%0.3321%0.207SC..SBendtrans-68.3140.6178.7-63.8-63.8-176.4-178.30111.6E258 Y259 Y264 V265 R266E258-K262 PolarHBondContact O-N 3.05Å; Y259-K262 WeakPolarHBondContact O-CB 3.34Å; Y259-K262 WeakPolarHBondContact O-CG 3.46Å; Y259-K262 PolarHBondContact O-N 2.78Å; K262-Y264 VanDerWaalsContact C-N 3.31Å; K262-Y264 HydrophobicContact CB-CD1 3.88Å; K262-Y264 HydrophobicContact CB-CE1 3.52Å; K262-Y264 HydrophobicContact CB-CE2 4.32Å; K262-Y264 HydrophobicContact CB-CG 4.42Å; K262-Y264 HydrophobicContact CD-CE1 4.15Å; K262-Y264 HydrophobicContact CG-CE1 3.77Å; K262-Y264 PolarHBondContact O-N 3.19Å; K262-V265 HydrophobicContact CB-CB 4.42Å; K262-V265 HydrophobicContact CB-CG2 4.12Å; K262-V265 PolarHBondContact O-N 3.4Å; K262-V265 VanDerWaalsContact O-N 3.1Å; K262-R266 WeakPolarHBondContact O-CB 3.28Å; K262-R266 PolarHBondContact O-N 2.54Å
263S97Very high96.9Very high24 Ų2441.7 Ų41.717%0.16820%0.197CC..Hα-helixtrans-58.8-40.3-179.7540000112.9V265 R266 K267 E414S263-V265 VanDerWaalsContact C-N 3.3Å; S263-V265 PolarHBondContact O-N 2.77Å; S263-R266 PolarHBondContact O-N 3.28Å; S263-K267 PolarHBondContact O-N 2.75Å; S263-E414 WeakPolarHBondContact CB-OE1 3.14Å; S263-E414 PolarHBondContact OG-OE1 3.49Å
264Y96.3Very high97.1Very high143 Ų14338.5 Ų38.556%0.56118%0.18SC*.Hα-helixtrans-70.4-22.1178.364.9-99.1000114.1Y259 K262 K267Y259-Y264 HydrophobicContact CD2-CE2 4.5Å; Y259-Y264 HydrophobicContact CE2-CE2 4.03Å; K262-Y264 VanDerWaalsContact C-N 3.31Å; K262-Y264 HydrophobicContact CB-CD1 3.88Å; K262-Y264 HydrophobicContact CB-CE1 3.52Å; K262-Y264 HydrophobicContact CB-CE2 4.32Å; K262-Y264 HydrophobicContact CB-CG 4.42Å; K262-Y264 HydrophobicContact CD-CE1 4.15Å; K262-Y264 HydrophobicContact CG-CE1 3.77Å; K262-Y264 PolarHBondContact O-N 3.19Å; Y264-K267 WeakPolarHBondContact O-CE 3.47Å; Y264-K267 VanDerWaalsContact O-CG 3.32Å; Y264-K267 WeakPolarHBondContact O-CG 3.31Å
265V97.7Very high97.2Very high4 Ų436.8 Ų36.82%0.02417%0.172CC..Hα-helixtrans-82.2-48171.1177.10000109.6F243 I247 Y259 K262 S263 K267 R269F243-V265 HydrophobicContact CE2-CG1 4.32Å; F243-V265 HydrophobicContact CZ-CG1 3.96Å; I247-V265 HydrophobicContact CG2-CG1 3.93Å; Y259-V265 HydrophobicContact CD1-CG2 4.3Å; Y259-V265 HydrophobicContact CD2-CG2 3.89Å; Y259-V265 HydrophobicContact CE1-CG1 4.25Å; Y259-V265 HydrophobicContact CE1-CG2 3.91Å; Y259-V265 HydrophobicContact CE2-CG2 3.48Å; Y259-V265 VanDerWaalsContact CE2-CG2 3.48Å; Y259-V265 HydrophobicContact CG-CG2 4.28Å; Y259-V265 VanDerWaalsContact CZ-CG2 3.48Å; Y259-V265 WeakPolarHBondContact O-CG2 3.4Å; K262-V265 HydrophobicContact CB-CB 4.42Å; K262-V265 HydrophobicContact CB-CG2 4.12Å; K262-V265 PolarHBondContact O-N 3.4Å; K262-V265 VanDerWaalsContact O-N 3.1Å; S263-V265 VanDerWaalsContact C-N 3.3Å; S263-V265 PolarHBondContact O-N 2.77Å; V265-K267 PolarHBondContact O-N 3.5Å; V265-R269 PolarHBondContact O-NH2 2.92Å
266R96.6Very high97.5Very high16 Ų1632.7 Ų32.76%0.0616%0.156CC..Hα-helixtrans-62.8-38.7-179.5-177.816956.477.63.6112.8F204 D230 K262 S263 S268 R269F204-R266 HydrophobicContact CE1-CG 3.91Å; F204-R266 HydrophobicContact CZ-CG 4.45Å; D230-R266 WeakPolarHBondContact O-CD 3.34Å; D230-R266 PolarHBondContact O-NE 3.29Å; K262-R266 WeakPolarHBondContact O-CB 3.28Å; K262-R266 PolarHBondContact O-N 2.54Å; S263-R266 PolarHBondContact O-N 3.28Å; R266-S268 VanDerWaalsContact C-N 3.27Å; R266-S268 PolarHBondContact O-N 2.7Å; R266-R269 VanDerWaalsContact CD-O 3.28Å; R266-R269 WeakPolarHBondContact CD-O 3.28Å; R266-R269 WeakPolarHBondContact CG-O 3.18Å; R266-R269 WeakPolarHBondContact O-CB 2.99Å; R266-R269 WeakPolarHBondContact O-CG 3.34Å; R266-R269 PolarHBondContact O-N 2.84Å; R266-R269 PolarHBondContact O-NE 3.45Å
267K96.9Very high97.6Very high124 Ų12431.9 Ų31.954%0.53915%0.153SC..THydrogen-bonded Turntrans49.146.1-177.7-61.2-174.3179.2164.50113E246 S263 Y264 V265 R269E246-K267 VanDerWaalsContact OE1-CD 3.27Å; E246-K267 WeakPolarHBondContact OE1-CD 3.45Å; E246-K267 WeakPolarHBondContact OE1-CE 3.09Å; E246-K267 IonicContact OE1-NZ 2.82Å; E246-K267 PolarHBondContact OE1-NZ 3.41Å; S263-K267 PolarHBondContact O-N 2.75Å; Y264-K267 WeakPolarHBondContact O-CE 3.47Å; Y264-K267 VanDerWaalsContact O-CG 3.32Å; Y264-K267 WeakPolarHBondContact O-CG 3.31Å; V265-K267 PolarHBondContact O-N 3.5Å; K267-R269 PolarHBondContact O-N 2.87Å; K267-R269 VanDerWaalsContact O-N 3.08Å
268S96.3Very high97.7Very high101 Ų10129.7 Ų29.771%0.70614%0.141SC*.THydrogen-bonded Turntrans58.919.1-177.9-56.50000115.3R266R266-S268 VanDerWaalsContact C-N 3.27Å; R266-S268 PolarHBondContact O-N 2.7Å
269R98.3Very high97.9Very high29 Ų2927.4 Ų27.411%0.10913%0.131CC..  trans-84.2158.5170.1-61.2171.7-72.5-157.8-11.1110.8T202 F204 E246 V265 R266 K267T202-R269 CarbonylContact O-C 3.53Å; T202-R269 WeakPolarHBondContact O-CA 3.49Å; T202-R269 VanDerWaalsContact O-CB 3.26Å; T202-R269 WeakPolarHBondContact O-CB 3.48Å; F204-R269 HydrophobicContact CB-CB 4.13Å; F204-R269 HydrophobicContact CD1-CB 3.6Å; F204-R269 HydrophobicContact CE1-CB 4.49Å; F204-R269 HydrophobicContact CG-CB 4.3Å; E246-R269 IonicContact OE1-CZ 3.81Å; E246-R269 IonicContact OE1-NH1 2.74Å; E246-R269 IonicContact OE1-NH2 3.62Å; E246-R269 PolarHBondContact OE1-NH2 3.13Å; E246-R269 IonicContact OE2-CZ 3.05Å; E246-R269 IonicContact OE2-NH1 3.83Å; E246-R269 PolarHBondContact OE2-NH1 3.18Å; E246-R269 IonicContact OE2-NH2 3.29Å; E246-R269 PolarHBondContact OE2-NH2 3.48Å; V265-R269 PolarHBondContact O-NH2 2.92Å; R266-R269 VanDerWaalsContact CD-O 3.28Å; R266-R269 WeakPolarHBondContact CD-O 3.28Å; R266-R269 WeakPolarHBondContact CG-O 3.18Å; R266-R269 WeakPolarHBondContact O-CB 2.99Å; R266-R269 WeakPolarHBondContact O-CG 3.34Å; R266-R269 PolarHBondContact O-N 2.84Å; R266-R269 PolarHBondContact O-NE 3.45Å; K267-R269 PolarHBondContact O-N 2.87Å; K267-R269 VanDerWaalsContact O-N 3.08Å
270A98.6Very high97.8Very high1 Ų127.8 Ų27.81%0.00813%0.134CC..EExtended strand (participates in β ladder)trans-111.1171.1174.800000111.4T202 L203 F204 R228 T229 Y388T202-A270 PolarHBondContact O-N 2.85Å; L203-A270 CarbonylContact C-O 3.53Å; L203-A270 VanDerWaalsContact CA-O 3.24Å; L203-A270 WeakPolarHBondContact CA-O 3.41Å; L203-A270 HydrophobicContact CD2-CB 4.09Å; L203-A270 WeakPolarHBondContact CD2-O 3.1Å; F204-A270 VanDerWaalsContact CD1-O 3.24Å; F204-A270 WeakPolarHBondContact CD1-O 3.27Å; F204-A270 PolarHBondContact N-O 3.45Å; R228-A270 HydrophobicContact CB-CB 4.18Å; T229-A270 CarbonylContact O-C 3.54Å; T229-A270 VanDerWaalsContact O-CA 3.29Å; T229-A270 WeakPolarHBondContact O-CA 3.35Å; T229-A270 WeakPolarHBondContact O-CB 3.23Å; A270-Y388 HydrophobicContact CB-CD2 4.43Å; A270-Y388 HydrophobicContact CB-CE2 4.45Å
271C98.8Very high97.6Very high0 Ų028.2 Ų28.20%014%0.137CC..EExtended strand (participates in β ladder)trans-111.9159.1161-64.40000111.1F204 C205 R228 T229F204-C271 WeakPolarHBondContact CE1-SG 3.3Å; F204-C271 WeakPolarHBondContact CZ-SG 3.44Å; C205-C271 HydrophobicContact CB-CB 4.21Å; C205-C271 WeakPolarHBondContact CB-SG 3.23Å; C205-C271 CarbonylContact O-C 3.36Å; C205-C271 WeakPolarHBondContact O-CA 3.45Å; C205-C271 WeakPolarHBondContact O-CB 3.45Å; C205-C271 WeakPolarHBondContact SG-CB 3.21Å; C205-C271 CovalentContact SG-SG 2.02Å; C205-C271 PolarHBondContact SG-SG 2.69Å; R228-C271 CarbonylContact C-O 3.55Å; R228-C271 WeakPolarHBondContact CA-O 3.48Å; T229-C271 HydrophobicContact CG2-CB 4.07Å; T229-C271 WeakPolarHBondContact CG2-O 3.29Å; T229-C271 PolarHBondContact N-O 3.47Å; T229-C271 PolarHBondContact O-N 2.85Å
272I98.8Very high97.2Very high0 Ų029.9 Ų29.90%014%0.144CC..EExtended strand (participates in β ladder)trans-85.8139.1165.8-56.6-56.5000109.2Y189 L196 L203 C205 A206 S207 L226 Y227 R228 L317Y189-I272 HydrophobicContact CE2-CG2 4.46Å; Y189-I272 PolarHBondContact OH-O 2.78Å; L196-I272 HydrophobicContact CD1-CD1 4.25Å; L196-I272 HydrophobicContact CD1-CG1 4.13Å; L203-I272 HydrophobicContact CD1-CD1 3.88Å; L203-I272 HydrophobicContact CD1-CG1 3.89Å; L203-I272 HydrophobicContact CD2-CD1 3.71Å; L203-I272 HydrophobicContact CD2-CG1 4.05Å; L203-I272 HydrophobicContact CG-CD1 4.47Å; C205-I272 PolarHBondContact O-N 3.07Å; C205-I272 VanDerWaalsContact O-N 3.07Å; A206-I272 CarbonylContact C-O 3.57Å; A206-I272 WeakPolarHBondContact CA-O 3.26Å; A206-I272 HydrophobicContact CB-CB 4.1Å; S207-I272 PolarHBondContact N-O 2.8Å; L226-I272 HydrophobicContact CB-CG2 4.24Å; L226-I272 HydrophobicContact CD1-CG2 4.07Å; Y227-I272 CarbonylContact O-C 3.49Å; Y227-I272 WeakPolarHBondContact O-CA 3.46Å; R228-I272 HydrophobicContact CG-CD1 4.06Å; I272-L317 HydrophobicContact CD1-CB 4.27Å; I272-L317 HydrophobicContact CD1-CD1 4.38Å; I272-L317 HydrophobicContact CD1-CD2 4.48Å
273R98.7Very high96.5Very high1 Ų126.8 Ų26.80%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-137.2154.6170.864.1163.6179.782.91.2111.1S207 L226 Y227 T229 N386S207-R273 WeakPolarHBondContact O-CA 3.43Å; L226-R273 CarbonylContact C-O 3.54Å; L226-R273 WeakPolarHBondContact CA-O 3.38Å; Y227-R273 VanDerWaalsContact CB-CZ 3.44Å; Y227-R273 PolarHBondContact N-O 3.04Å; Y227-R273 PolarHBondContact O-N 3.43Å; T229-R273 HydrophobicContact CG2-CB 4.02Å; T229-R273 HydrophobicContact CG2-CG 3.74Å; R273-N386 WeakPolarHBondContact CD-OD1 3.35Å; R273-N386 VanDerWaalsContact NE-CG 3.34Å; R273-N386 PolarHBondContact NE-OD1 2.77Å; R273-N386 PolarHBondContact NH1-OD1 3.2Å; R273-N386 VanDerWaalsContact NH1-OD1 3.14Å; R273-N386 PolarHBondContact NH2-O 3.36Å
274P98.7Very high95.6Very high0 Ų032.2 Ų32.20%015%0.151CC..EExtended strand (participates in β ladder)trans-85.8163.1174.235.9-37.8000113.2S207 L226 I276S207-P274 WeakPolarHBondContact O-CD 3.4Å; L226-P274 HydrophobicContact CD2-CB 3.83Å; P274-I276 VanDerWaalsContact CB-O 3.23Å; P274-I276 WeakPolarHBondContact CB-O 3.42Å; P274-I276 VanDerWaalsContact CG-O 3.3Å; P274-I276 WeakPolarHBondContact CG-O 3.28Å
275E98.4Very high94.4Very high2 Ų230.2 Ų30.21%0.00915%0.154CC..SBendtrans-66.3-48.7165179.366.4165.900111N210 I218 D219 L225 Y227 R400N210-E275 PolarHBondContact ND2-O 3.09Å; I218-E275 HydrophobicContact CB-CG 4.45Å; I218-E275 WeakPolarHBondContact CG2-O 3.34Å; D219-E275 HydrophobicContact CB-CG 4.34Å; D219-E275 WeakPolarHBondContact CB-OE1 3.2Å; D219-E275 PolarHBondContact N-OE1 2.82Å; L225-E275 HydrophobicContact CB-CB 4.03Å; L225-E275 HydrophobicContact CD2-CB 4.43Å; L225-E275 HydrophobicContact CG-CB 4.32Å; L225-E275 PolarHBondContact O-N 3.24Å; Y227-E275 HydrophobicContact CE2-CB 4.01Å; Y227-E275 WeakPolarHBondContact CE2-OE2 3.3Å; Y227-E275 PolarHBondContact OH-OE2 2.82Å; E275-R400 IonicContact OE1-CZ 2.87Å; E275-R400 VanDerWaalsContact OE1-CZ 3.31Å; E275-R400 IonicContact OE1-NH1 3.82Å; E275-R400 PolarHBondContact OE1-NH1 2.9Å; E275-R400 IonicContact OE1-NH2 3.6Å; E275-R400 PolarHBondContact OE1-NH2 3.47Å; E275-R400 IonicContact OE2-NH1 2.71Å; E275-R400 PolarHBondContact OE2-NH1 2.92Å; E275-R400 IonicContact OE2-NH2 3.68Å
276I98.6Very high93.3Very high10 Ų1031.6 Ų31.65%0.05117%0.168CC..SBendtrans-106.6127176.8-45.6178.6000108.5I218 P223 P274 R278 K301I218-I276 HydrophobicContact CD1-CG1 4.41Å; I218-I276 HydrophobicContact CD1-CG2 4.31Å; P223-I276 HydrophobicContact CB-CD1 4.02Å; P274-I276 VanDerWaalsContact CB-O 3.23Å; P274-I276 WeakPolarHBondContact CB-O 3.42Å; P274-I276 VanDerWaalsContact CG-O 3.3Å; P274-I276 WeakPolarHBondContact CG-O 3.28Å; I276-R278 VanDerWaalsContact O-CD 3.29Å; I276-R278 WeakPolarHBondContact O-CD 3.41Å; I276-R278 PolarHBondContact O-N 3.14Å; I276-R278 PolarHBondContact O-NH1 3.33Å; I276-K301 HydrophobicContact CG2-CG 4.09Å
277S98.7Very high91.8Very high0 Ų033.6 Ų33.60%018%0.18CC..BIsolated β-bridgetrans-59.2139-176.1-57.80000112.4A208 N210 S279 I300 K301 S303A208-S277 CarbonylContact O-C 3.54Å; A208-S277 WeakPolarHBondContact O-CA 3.32Å; N210-S277 WeakPolarHBondContact CB-OG 3.17Å; N210-S277 PolarHBondContact N-OG 2.79Å; S277-S279 VanDerWaalsContact CB-O 3.27Å; S277-S279 WeakPolarHBondContact CB-O 3.39Å; S277-I300 WeakPolarHBondContact OG-CG2 3.35Å; S277-K301 PolarHBondContact N-O 3.39Å; S277-S303 WeakPolarHBondContact O-CB 3.35Å; S277-S303 PolarHBondContact O-N 2.8Å
278R98.7Very high90.4Very high0 Ų030.1 Ų30.10%017%0.171CC..SBendtrans-93.4-9.4173.2-92.158.8-165.9-168-4.1112.2A183 D185 F186 Y189 A208 P223 I276A183-R278 HydrophobicContact CB-CB 4.19Å; A183-R278 HydrophobicContact CB-CG 4.02Å; A183-R278 WeakPolarHBondContact CB-O 3.47Å; A183-R278 PolarHBondContact N-O 3.44Å; D185-R278 WeakPolarHBondContact OD1-CG 3.37Å; D185-R278 IonicContact OD1-CZ 2.7Å; D185-R278 IonicContact OD1-NE 2.8Å; D185-R278 PolarHBondContact OD1-NE 2.87Å; D185-R278 IonicContact OD1-NH2 3.66Å; D185-R278 IonicContact OD2-CZ 2.8Å; D185-R278 IonicContact OD2-NE 3.27Å; D185-R278 PolarHBondContact OD2-NE 2.75Å; D185-R278 IonicContact OD2-NH2 3.47Å; D185-R278 PolarHBondContact OD2-NH2 2.85Å; F186-R278 HydrophobicContact CD2-CB 4.2Å; F186-R278 WeakPolarHBondContact CD2-O 3.36Å; Y189-R278 HydrophobicContact CG-CG 4.28Å; A208-R278 HydrophobicContact CB-CB 3.62Å; A208-R278 PolarHBondContact O-N 2.89Å; P223-R278 PolarHBondContact O-NH1 3.23Å; P223-R278 PolarHBondContact O-NH2 2.94Å; I276-R278 VanDerWaalsContact O-CD 3.29Å; I276-R278 WeakPolarHBondContact O-CD 3.41Å; I276-R278 PolarHBondContact O-N 3.14Å; I276-R278 PolarHBondContact O-NH1 3.33Å
279S98.4Very high89Confident0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-140146.9173.948.20000109.7D181 A208 L235 S277D181-S279 VanDerWaalsContact O-CA 3.31Å; D181-S279 WeakPolarHBondContact O-CA 3.44Å; A208-S279 VanDerWaalsContact CB-OG 3.23Å; A208-S279 WeakPolarHBondContact CB-OG 3.18Å; A208-S279 PolarHBondContact O-N 3.38Å; A208-S279 PolarHBondContact O-OG 3.13Å; L235-S279 WeakPolarHBondContact O-CB 3.45Å; L235-S279 PolarHBondContact O-OG 3.22Å; S277-S279 VanDerWaalsContact CB-O 3.27Å; S277-S279 WeakPolarHBondContact CB-O 3.39Å
280I96.1Very high87.4Confident31 Ų3131.6 Ų31.616%0.15917%0.171CC..EExtended strand (participates in β ladder)trans-137.3151.1166.360.5169.1000108.6L180 D181 I300 L302L180-I280 CarbonylContact C-O 3.5Å; L180-I280 VanDerWaalsContact CA-O 3.28Å; L180-I280 WeakPolarHBondContact CA-O 3.34Å; D181-I280 HydrophobicContact CB-CG1 3.94Å; D181-I280 PolarHBondContact N-O 3.23Å; D181-I280 PolarHBondContact O-N 3.35Å; I280-I300 HydrophobicContact CG2-CB 4.12Å; I280-I300 HydrophobicContact CG2-CG2 3.83Å; I280-L302 HydrophobicContact CD1-CB 3.89Å; I280-L302 HydrophobicContact CD1-CD2 4.42Å; I280-L302 HydrophobicContact CG1-CB 4.06Å; I280-L302 HydrophobicContact CG1-CD1 4.31Å; I280-L302 HydrophobicContact CG1-CD2 4.28Å; I280-L302 HydrophobicContact CG1-CG 4.46Å; I280-L302 HydrophobicContact CG2-CB 3.96Å; I280-L302 HydrophobicContact CG2-CD1 4.26Å
281T93.2Very high85.9Confident10 Ų1036.6 Ų36.66%0.06120%0.195CC..EExtended strand (participates in β ladder)trans-85.2136.1170.3172.50000110.6D179 G283 F293 L297D179-T281 CarbonylContact O-C 3.55Å; D179-T281 VanDerWaalsContact O-CA 3.28Å; D179-T281 WeakPolarHBondContact O-CA 3.38Å; D179-T281 PolarHBondContact O-OG1 2.87Å; D179-T281 PolarHBondContact OD2-OG1 2.83Å; T281-G283 PolarHBondContact OG1-N 3.11Å; T281-F293 HydrophobicContact CG2-CD2 4.39Å; T281-F293 HydrophobicContact CG2-CE2 4.42Å; T281-L297 HydrophobicContact CG2-CB 3.89Å; T281-L297 HydrophobicContact CG2-CD1 3.82Å; T281-L297 HydrophobicContact CG2-CG 4.33Å
282F89.7Confident84.7Confident55 Ų5540.6 Ų40.624%0.24121%0.21CC..  trans-99.3-1.9164.861.6-102.4000112R82 D179 D181 R284R82-F282 HydrophobicContact CB-CE1 4.15Å; R82-F282 HydrophobicContact CB-CZ 4.26Å; D179-F282 VanDerWaalsContact CA-CZ 3.43Å; D179-F282 HydrophobicContact CB-CE2 4.23Å; D179-F282 HydrophobicContact CB-CZ 4.35Å; D179-F282 WeakPolarHBondContact O-CD1 3.42Å; D179-F282 WeakPolarHBondContact O-CE1 3.38Å; D179-F282 WeakPolarHBondContact O-CG 3.43Å; D179-F282 PolarHBondContact O-N 3.5Å; D181-F282 HydrophobicContact CB-CD1 4.45Å; D181-F282 WeakPolarHBondContact OD1-CD1 3.36Å; F282-R284 PolarHBondContact O-N 3.12Å; F282-R284 VanDerWaalsContact O-N 3.13Å
283G81.2Confident83.4Confident12 Ų1241.7 Ų41.712%0.12422%0.215CC..  trans-77.890.4-178.200000113D179 T281 F293D179-G283 WeakPolarHBondContact OD2-CA 3.37Å; T281-G283 PolarHBondContact OG1-N 3.11Å; G283-F293 WeakPolarHBondContact O-CD2 3.24Å
284R78.4Confident82.2Confident138 Ų13844.7 Ų44.752%0.52123%0.232SC..  trans-72.2-37.2169.1-174.6172-177.2-87.3-5.3112.6F282 G290 F293 D294F282-R284 PolarHBondContact O-N 3.12Å; F282-R284 VanDerWaalsContact O-N 3.13Å; R284-G290 VanDerWaalsContact O-CA 3.25Å; R284-G290 WeakPolarHBondContact O-CA 3.45Å; R284-G290 PolarHBondContact O-N 3.32Å; R284-F293 HydrophobicContact CB-CD1 3.8Å; R284-F293 HydrophobicContact CB-CD2 4.46Å; R284-F293 HydrophobicContact CB-CE1 3.65Å; R284-F293 HydrophobicContact CB-CE2 4.33Å; R284-F293 HydrophobicContact CB-CG 4.22Å; R284-F293 HydrophobicContact CB-CZ 3.93Å; R284-F293 HydrophobicContact CG-CD1 3.63Å; R284-F293 HydrophobicContact CG-CE1 3.87Å; R284-F293 HydrophobicContact CG-CG 4.21Å; R284-D294 IonicContact CZ-OD2 3.43Å; R284-D294 IonicContact NE-OD1 3.31Å; R284-D294 IonicContact NE-OD2 3.04Å; R284-D294 PolarHBondContact NE-OD2 3.08Å; R284-D294 IonicContact NH2-OD2 3.88Å; R284-D294 PolarHBondContact NH2-OD2 3.35Å
285V71Confident81.1Confident101 Ų10147.6 Ų47.661%0.61225%0.252SS*.SBendtrans-104.5126.2-175.5-176.80000109.5R77R77-V285 PolarHBondContact NH2-O 3.18Å
286G74.4Confident80.2Confident32 Ų3249.1 Ų49.133%0.3326%0.259SS..SBendtrans-176.1-168.3-178.900000111.1S288 Q289G286-S288 PolarHBondContact O-N 3.36Å; G286-Q289 PolarHBondContact O-N 2.87Å; G286-Q289 PolarHBondContact O-NE2 2.88Å
287I66.7Low79.4Confident58 Ų5850.2 Ų50.230%0.29726%0.264SS..THydrogen-bonded Turntrans-59.3-36.8-177.4-66.5155.3000111.9G149 Y150 V153 Q289G149-I287 WeakPolarHBondContact O-CD1 3.32Å; Y150-I287 HydrophobicContact CD1-CG2 4.11Å; Y150-I287 HydrophobicContact CD2-CG2 3.82Å; Y150-I287 HydrophobicContact CE1-CG2 4.1Å; Y150-I287 HydrophobicContact CE2-CG2 3.81Å; Y150-I287 HydrophobicContact CG-CG2 3.98Å; V153-I287 HydrophobicContact CG2-CD1 3.3Å; I287-Q289 PolarHBondContact O-N 2.93Å
288S67.5Low78.8Confident51 Ų5154.8 Ų54.836%0.35728%0.284SS..THydrogen-bonded Turntrans-74.5-1.5178.565.60000114.5Y150 G286 G290 Q291Y150-S288 WeakPolarHBondContact OH-CA 3.49Å; G286-S288 PolarHBondContact O-N 3.36Å; S288-G290 PolarHBondContact O-N 3.01Å; S288-G290 VanDerWaalsContact O-N 3.1Å; S288-Q291 WeakPolarHBondContact O-CB 3.33Å; S288-Q291 PolarHBondContact O-N 2.88Å
289Q66.6Low78.4Confident148 Ų14859.8 Ų59.869%0.69231%0.306SS*.THydrogen-bonded Turntrans52.829.9-174.9-59.6-62.9-41.300113.6G286 I287G286-Q289 PolarHBondContact O-N 2.87Å; G286-Q289 PolarHBondContact O-NE2 2.88Å; I287-Q289 PolarHBondContact O-N 2.93Å
290G63.7Low78.3Confident13 Ų1360.2 Ų60.213%0.13431%0.309CS..THydrogen-bonded Turntrans7723.3-17900000114R284 S288 Y292 F293R284-G290 VanDerWaalsContact O-CA 3.25Å; R284-G290 WeakPolarHBondContact O-CA 3.45Å; R284-G290 PolarHBondContact O-N 3.32Å; S288-G290 PolarHBondContact O-N 3.01Å; S288-G290 VanDerWaalsContact O-N 3.1Å; G290-Y292 PolarHBondContact O-N 3.49Å; G290-F293 WeakPolarHBondContact O-CB 3.17Å; G290-F293 PolarHBondContact O-N 3.44Å
291Q68.4Low78.3Confident107 Ų10763 Ų6350%0.532%0.32SS..THydrogen-bonded Turntrans-48.9126.1170.6-163.3-175.220.500109.8S288 F293S288-Q291 WeakPolarHBondContact O-CB 3.33Å; S288-Q291 PolarHBondContact O-N 2.88Å; Q291-F293 PolarHBondContact O-N 3.25Å
292Y73.2Confident78.5Confident83 Ų8364.5 Ų64.533%0.32533%0.327SS..THydrogen-bonded Turntrans65.3-11.6-172.4-48.9-73.7000117.2G290 S295 H296 L297 M376G290-Y292 PolarHBondContact O-N 3.49Å; Y292-S295 WeakPolarHBondContact CA-OG 3.24Å; Y292-S295 PolarHBondContact O-N 3.13Å; Y292-S295 PolarHBondContact O-OG 3.01Å; Y292-H296 WeakPolarHBondContact O-CA 3.23Å; Y292-H296 WeakPolarHBondContact O-CB 3.46Å; Y292-H296 PolarHBondContact O-N 2.94Å; Y292-L297 PolarHBondContact O-N 3.02Å; Y292-M376 HydrophobicContact CD1-CE 4.16Å; Y292-M376 HydrophobicContact CG-CE 4.42Å
293F70.3Confident78.9Confident23 Ų2362.1 Ų62.110%0.10132%0.317CS..THydrogen-bonded Turntrans-61.5-54.3-176.3-173.4-87.2000111.7T281 G283 R284 G290 Q291 S295 L297 K298T281-F293 HydrophobicContact CG2-CD2 4.39Å; T281-F293 HydrophobicContact CG2-CE2 4.42Å; G283-F293 WeakPolarHBondContact O-CD2 3.24Å; R284-F293 HydrophobicContact CB-CD1 3.8Å; R284-F293 HydrophobicContact CB-CD2 4.46Å; R284-F293 HydrophobicContact CB-CE1 3.65Å; R284-F293 HydrophobicContact CB-CE2 4.33Å; R284-F293 HydrophobicContact CB-CG 4.22Å; R284-F293 HydrophobicContact CB-CZ 3.93Å; R284-F293 HydrophobicContact CG-CD1 3.63Å; R284-F293 HydrophobicContact CG-CE1 3.87Å; R284-F293 HydrophobicContact CG-CG 4.21Å; G290-F293 WeakPolarHBondContact O-CB 3.17Å; G290-F293 PolarHBondContact O-N 3.44Å; Q291-F293 PolarHBondContact O-N 3.25Å; F293-S295 VanDerWaalsContact C-N 3.3Å; F293-S295 PolarHBondContact O-N 3.38Å; F293-L297 HydrophobicContact CB-CD1 4.43Å; F293-L297 HydrophobicContact CD2-CB 4.1Å; F293-L297 HydrophobicContact CD2-CD1 4.42Å; F293-L297 PolarHBondContact O-N 3.39Å; F293-K298 HydrophobicContact CD1-CB 4.2Å; F293-K298 HydrophobicContact CE1-CB 3.77Å; F293-K298 HydrophobicContact CE1-CD 4.48Å; F293-K298 HydrophobicContact CZ-CB 4.04Å; F293-K298 WeakPolarHBondContact O-CG 3.37Å; F293-K298 PolarHBondContact O-N 3.15Å; F293-K298 VanDerWaalsContact O-N 3.09Å
294D75.1Confident79.7Confident65 Ų6566.4 Ų66.435%0.34835%0.345SS..THydrogen-bonded Turntrans-72.2-23.8-176.3-85-45000113.9R284 K298 F299R284-D294 IonicContact CZ-OD2 3.43Å; R284-D294 IonicContact NE-OD1 3.31Å; R284-D294 IonicContact NE-OD2 3.04Å; R284-D294 PolarHBondContact NE-OD2 3.08Å; R284-D294 IonicContact NH2-OD2 3.88Å; R284-D294 PolarHBondContact NH2-OD2 3.35Å; D294-K298 WeakPolarHBondContact O-CE 3.37Å; D294-K298 PolarHBondContact O-NZ 3.05Å; D294-K298 IonicContact OD1-NZ 3.69Å; D294-K298 PolarHBondContact OD1-NZ 3.3Å; D294-F299 WeakPolarHBondContact O-CE2 3.21Å
295S75.2Confident80.6Confident61 Ų6161.3 Ų61.343%0.42733%0.332SS..THydrogen-bonded Turntrans-94-28.8179.350.70000112.7R214 Y292 F293R214-S295 PolarHBondContact NH2-O 3.47Å; Y292-S295 WeakPolarHBondContact CA-OG 3.24Å; Y292-S295 PolarHBondContact O-N 3.13Å; Y292-S295 PolarHBondContact O-OG 3.01Å; F293-S295 VanDerWaalsContact C-N 3.3Å; F293-S295 PolarHBondContact O-N 3.38Å
296H79.7Confident81.7Confident34 Ų3463 Ų6316%0.15733%0.332CS..THydrogen-bonded Turntrans-135.3-61.7-170.5-58.177000113.9R214 Y292 K298 F299 M376R214-H296 PolarHBondContact NH2-CD2 2.83Å; R214-H296 PolarHBondContact NH2-NE2 3.38Å; Y292-H296 WeakPolarHBondContact O-CA 3.23Å; Y292-H296 WeakPolarHBondContact O-CB 3.46Å; Y292-H296 PolarHBondContact O-N 2.94Å; H296-K298 VanDerWaalsContact C-N 3.35Å; H296-K298 PolarHBondContact O-N 3.32Å; H296-F299 PolarHBondContact O-N 3.42Å; H296-M376 HydrophobicContact CB-CE 4.16Å; H296-M376 HydrophobicContact CB-SD 4.37Å; H296-M376 WeakPolarHBondContact CD2-CG 3.36Å
297L82Confident82.8Confident32 Ų3262.5 Ų62.517%0.16832%0.322CS..G310 helixtrans-63.7-37.2-162.6-53.6172.2000113.1F209 L235 T281 Y292 F293 F299 I300F209-L297 HydrophobicContact CZ-CD2 3.84Å; L235-L297 HydrophobicContact CD1-CD2 4.38Å; T281-L297 HydrophobicContact CG2-CB 3.89Å; T281-L297 HydrophobicContact CG2-CD1 3.82Å; T281-L297 HydrophobicContact CG2-CG 4.33Å; Y292-L297 PolarHBondContact O-N 3.02Å; F293-L297 HydrophobicContact CB-CD1 4.43Å; F293-L297 HydrophobicContact CD2-CB 4.1Å; F293-L297 HydrophobicContact CD2-CD1 4.42Å; F293-L297 PolarHBondContact O-N 3.39Å; L297-F299 PolarHBondContact O-N 3.21Å; L297-F299 VanDerWaalsContact O-N 3.12Å; L297-I300 WeakPolarHBondContact O-CG1 3.47Å; L297-I300 PolarHBondContact O-N 3.13Å
298K85.4Confident84.1Confident96 Ų9661.8 Ų61.842%0.41732%0.319SS..G310 helixtrans-65.3-16179.375.8-178.6177.6-162.20114.5F293 D294 H296F293-K298 HydrophobicContact CD1-CB 4.2Å; F293-K298 HydrophobicContact CE1-CB 3.77Å; F293-K298 HydrophobicContact CE1-CD 4.48Å; F293-K298 HydrophobicContact CZ-CB 4.04Å; F293-K298 WeakPolarHBondContact O-CG 3.37Å; F293-K298 PolarHBondContact O-N 3.15Å; F293-K298 VanDerWaalsContact O-N 3.09Å; D294-K298 WeakPolarHBondContact O-CE 3.37Å; D294-K298 PolarHBondContact O-NZ 3.05Å; D294-K298 IonicContact OD1-NZ 3.69Å; D294-K298 PolarHBondContact OD1-NZ 3.3Å; H296-K298 VanDerWaalsContact C-N 3.35Å; H296-K298 PolarHBondContact O-N 3.32Å
299F90.4Very high85.3Confident105 Ų10559.4 Ų59.446%0.46130%0.302SS..G310 helixtrans-98.2-0.6-178.2-57.9-67.4000113.1R214 D294 H296 L297R214-F299 HydrophobicContact CG-CB 4.17Å; D294-F299 WeakPolarHBondContact O-CE2 3.21Å; H296-F299 PolarHBondContact O-N 3.42Å; L297-F299 PolarHBondContact O-N 3.21Å; L297-F299 VanDerWaalsContact O-N 3.12Å
300I95.4Very high86.2Confident10 Ų1055.5 Ų55.55%0.05128%0.284CS..BIsolated β-bridgetrans-72.7132.9178.7-56.2-61000109.5F209 R214 S277 I280 L297F209-I300 HydrophobicContact CD2-CG2 4.38Å; F209-I300 HydrophobicContact CE2-CB 4.22Å; F209-I300 HydrophobicContact CE2-CG1 3.89Å; F209-I300 HydrophobicContact CE2-CG2 3.8Å; F209-I300 HydrophobicContact CZ-CD1 4.41Å; F209-I300 HydrophobicContact CZ-CG1 4Å; R214-I300 HydrophobicContact CG-CD1 4Å; S277-I300 WeakPolarHBondContact OG-CG2 3.35Å; I280-I300 HydrophobicContact CG2-CB 4.12Å; I280-I300 HydrophobicContact CG2-CG2 3.83Å; L297-I300 WeakPolarHBondContact O-CG1 3.47Å; L297-I300 PolarHBondContact O-N 3.13Å
301K96.7Very high87.5Confident90 Ų9061.9 Ų61.939%0.39131%0.31SS..PPolyproline II helixtrans-84.1118-179.4179.463.2179.8-179.10110.2G213 I218 I276 S277G213-K301 PolarHBondContact O-N 3.38Å; I218-K301 HydrophobicContact CD1-CB 3.64Å; I218-K301 HydrophobicContact CD1-CG 4.02Å; I276-K301 HydrophobicContact CG2-CG 4.09Å; S277-K301 PolarHBondContact N-O 3.39Å
302L98.2Very high88.7Confident40 Ų4060.2 Ų60.221%0.20930%0.304CS..BIsolated β-bridgetrans-74.9131.6164.3-171.465000110.1D181 A183 I280D181-L302 HydrophobicContact CB-CD2 4.09Å; A183-L302 HydrophobicContact CB-CD1 3.99Å; A183-L302 HydrophobicContact CB-CG 4.42Å; I280-L302 HydrophobicContact CD1-CB 3.89Å; I280-L302 HydrophobicContact CD1-CD2 4.42Å; I280-L302 HydrophobicContact CG1-CB 4.06Å; I280-L302 HydrophobicContact CG1-CD1 4.31Å; I280-L302 HydrophobicContact CG1-CD2 4.28Å; I280-L302 HydrophobicContact CG1-CG 4.46Å; I280-L302 HydrophobicContact CG2-CB 3.96Å; I280-L302 HydrophobicContact CG2-CD1 4.26Å
303S98.2Very high89.8Confident6 Ų662 Ų624%0.04232%0.32CS..PPolyproline II helixtrans-64.8133.7173.2-177.30000111A183 P184 S277 A305A183-S303 WeakPolarHBondContact CB-O 3.11Å; P184-S303 VanDerWaalsContact CD-O 3.26Å; P184-S303 WeakPolarHBondContact CD-O 3.44Å; S277-S303 WeakPolarHBondContact O-CB 3.35Å; S277-S303 PolarHBondContact O-N 2.8Å; S303-A305 PolarHBondContact OG-N 2.93Å
304S97.6Very high91.1Very high102 Ų10261.5 Ų61.571%0.71332%0.318SS*.  trans-101.7-1.4169.357.50000112.8
305A96.8Very high92Very high30 Ų3060.5 Ų60.525%0.24832%0.316CS..  trans-76.7153.7-179.100000111.7P223 S303 V307P223-A305 HydrophobicContact CB-CB 3.69Å; P223-A305 HydrophobicContact CG-CB 4.03Å; S303-A305 PolarHBondContact OG-N 2.93Å; A305-V307 HydrophobicContact CB-CG2 4.27Å
306K95.3Very high93.1Very high138 Ų13860.5 Ų60.560%0.631%0.307SS*.  trans-108.383.7169.3-74.6-167.4177.5-156.90109.5E93 P184E93-K306 IonicContact OE1-NZ 3.35Å; E93-K306 IonicContact OE2-NZ 2.79Å; E93-K306 PolarHBondContact OE2-NZ 3.21Å; P184-K306 HydrophobicContact CB-CD 4.4Å; P184-K306 HydrophobicContact CB-CG 3.67Å
307V96.3Very high94Very high20 Ų2058.9 Ų58.912%0.12130%0.299CS..  trans-88.8130.1175.8-1780000109.8D185 S188 P223 E224 A305 F309 L312D185-V307 WeakPolarHBondContact CB-O 3.38Å; D185-V307 WeakPolarHBondContact OD2-CB 3.47Å; D185-V307 PolarHBondContact OD2-N 2.7Å; D185-V307 VanDerWaalsContact OD2-N 3.12Å; S188-V307 PolarHBondContact OG-O 3.46Å; P223-V307 HydrophobicContact CB-CG2 3.92Å; P223-V307 HydrophobicContact CG-CG2 4.05Å; E224-V307 HydrophobicContact CB-CG1 3.7Å; E224-V307 HydrophobicContact CB-CG2 4.31Å; A305-V307 HydrophobicContact CB-CG2 4.27Å; V307-F309 HydrophobicContact CB-CD2 3.96Å; V307-F309 HydrophobicContact CB-CE2 3.62Å; V307-F309 HydrophobicContact CB-CZ 4.02Å; V307-F309 HydrophobicContact CG1-CD1 4.2Å; V307-F309 HydrophobicContact CG1-CD2 3.92Å; V307-F309 HydrophobicContact CG1-CE1 4.07Å; V307-F309 HydrophobicContact CG1-CE2 3.81Å; V307-F309 HydrophobicContact CG1-CG 4.13Å; V307-F309 HydrophobicContact CG1-CZ 3.89Å; V307-F309 HydrophobicContact CG2-CE2 4.45Å; V307-F309 PolarHBondContact O-N 2.71Å; V307-L312 HydrophobicContact CG1-CD1 3.69Å
308N93.3Very high94.7Very high44 Ų4462.5 Ų62.524%0.23531%0.311CS..  trans-88.175.4175.5-166-5.3000111.5S188 H310 Q311S188-N308 WeakPolarHBondContact OG-CA 3.22Å; S188-N308 PolarHBondContact OG-OD1 3.42Å; N308-H310 PolarHBondContact O-N 3.43Å; N308-H310 VanDerWaalsContact O-N 3.17Å; N308-Q311 WeakPolarHBondContact ND2-CG 3.46Å; N308-Q311 PolarHBondContact ND2-NE2 3.01Å; N308-Q311 PolarHBondContact ND2-OE1 2.78Å; N308-Q311 PolarHBondContact O-N 3.47Å
309F94.4Very high95.3Very high0 Ų059.1 Ų59.10%030%0.296CS..G310 helixtrans-60.2-25.7-177-72.5-82.3000114.2S188 Y189 E224 L226 V307 Q311 L312S188-F309 WeakPolarHBondContact O-CB 3.47Å; S188-F309 PolarHBondContact OG-N 3.37Å; Y189-F309 VanDerWaalsContact CA-CD2 3.43Å; Y189-F309 HydrophobicContact CD2-CD2 4.46Å; Y189-F309 HydrophobicContact CD2-CE1 4.49Å; Y189-F309 HydrophobicContact CD2-CE2 4.26Å; Y189-F309 HydrophobicContact CD2-CZ 4.28Å; E224-F309 WeakPolarHBondContact O-CE1 3.33Å; L226-F309 HydrophobicContact CD1-CD1 3.98Å; L226-F309 HydrophobicContact CD1-CE1 3.89Å; L226-F309 HydrophobicContact CD2-CD1 4.47Å; L226-F309 HydrophobicContact CD2-CE1 3.62Å; L226-F309 HydrophobicContact CD2-CZ 4.03Å; L226-F309 HydrophobicContact CG-CD1 4.4Å; L226-F309 HydrophobicContact CG-CE1 3.81Å; V307-F309 HydrophobicContact CB-CD2 3.96Å; V307-F309 HydrophobicContact CB-CE2 3.62Å; V307-F309 HydrophobicContact CB-CZ 4.02Å; V307-F309 HydrophobicContact CG1-CD1 4.2Å; V307-F309 HydrophobicContact CG1-CD2 3.92Å; V307-F309 HydrophobicContact CG1-CE1 4.07Å; V307-F309 HydrophobicContact CG1-CE2 3.81Å; V307-F309 HydrophobicContact CG1-CG 4.13Å; V307-F309 HydrophobicContact CG1-CZ 3.89Å; V307-F309 HydrophobicContact CG2-CE2 4.45Å; V307-F309 PolarHBondContact O-N 2.71Å; F309-Q311 PolarHBondContact O-N 3.47Å; F309-L312 HydrophobicContact CD1-CD1 4.01Å; F309-L312 HydrophobicContact CE1-CD1 4.45Å; F309-L312 PolarHBondContact O-N 2.83Å
310H85.4Confident95.5Very high67 Ų6759.1 Ų59.131%0.3130%0.301SS..G310 helixtrans-61-32.2174.3172.8-116.7000112.6F100 V191 N308F100-H310 AromaticContact CE2-CD2 3.66Å; F100-H310 AromaticContact CE2-CE1 3.93Å; F100-H310 AromaticContact CE2-NE2 3.47Å; F100-H310 WeakPolarHBondContact CE2-NE2 3.31Å; F100-H310 AromaticContact CZ-CD2 3.82Å; F100-H310 AromaticContact CZ-NE2 3.8Å; V191-H310 HydrophobicContact CB-CB 4.39Å; V191-H310 HydrophobicContact CG1-CB 3.66Å; V191-H310 VanDerWaalsContact CG1-CD2 3.43Å; V191-H310 WeakPolarHBondContact CG1-CD2 3.33Å; N308-H310 PolarHBondContact O-N 3.43Å; N308-H310 VanDerWaalsContact O-N 3.17Å
311Q89.5Confident95.7Very high147 Ų14760.2 Ų60.269%0.68731%0.308SS*.G310 helixtrans-93.9-6.1-178.4-70.2-179.4-20.200113.6N308 F309N308-Q311 WeakPolarHBondContact ND2-CG 3.46Å; N308-Q311 PolarHBondContact ND2-NE2 3.01Å; N308-Q311 PolarHBondContact ND2-OE1 2.78Å; N308-Q311 PolarHBondContact O-N 3.47Å; F309-Q311 PolarHBondContact O-N 3.47Å
312L94.4Very high95.7Very high71 Ų7156.5 Ų56.537%0.37229%0.292SS..SBendtrans-82.6144.6179.5-64.5-177.8000111E224 V307 F309 L314E224-L312 HydrophobicContact CB-CD1 3.87Å; V307-L312 HydrophobicContact CG1-CD1 3.69Å; F309-L312 HydrophobicContact CD1-CD1 4.01Å; F309-L312 HydrophobicContact CE1-CD1 4.45Å; F309-L312 PolarHBondContact O-N 2.83Å; L312-L314 HydrophobicContact CB-CD2 4.05Å; L312-L314 HydrophobicContact CB-CG 4.34Å; L312-L314 PolarHBondContact O-N 2.92Å
313D95.8Very high95.7Very high122 Ų12258.8 Ų58.865%0.65230%0.298SS*.  trans-75.5103.5165.3-177.38.6000109.7S315D313-S315 VanDerWaalsContact CG-OG 3.3Å; D313-S315 WeakPolarHBondContact OD1-CB 3.09Å; D313-S315 PolarHBondContact OD1-N 3.43Å; D313-S315 PolarHBondContact OD1-OG 2.95Å; D313-S315 PolarHBondContact OD2-OG 3.38Å
314L97Very high95.7Very high12 Ų1263.4 Ų63.46%0.06332%0.322CS..  trans-96.810.6176.7-60.1-176.9000112.6L196 L226 L312 Y316 L317L196-L314 HydrophobicContact CD1-CB 4.08Å; L196-L314 HydrophobicContact CD1-CD1 4.21Å; L196-L314 HydrophobicContact CD2-CB 4.18Å; L196-L314 HydrophobicContact CG-CB 4.36Å; L226-L314 HydrophobicContact CD1-CD1 4.09Å; L226-L314 HydrophobicContact CD1-CD2 4.07Å; L312-L314 HydrophobicContact CB-CD2 4.05Å; L312-L314 HydrophobicContact CB-CG 4.34Å; L312-L314 PolarHBondContact O-N 2.92Å; L314-Y316 HydrophobicContact CD2-CE1 4.09Å; L314-Y316 PolarHBondContact O-N 3.43Å; L314-Y316 VanDerWaalsContact O-N 3.11Å; L314-L317 HydrophobicContact CB-CD1 4.2Å; L314-L317 HydrophobicContact CD2-CD1 4.37Å; L314-L317 WeakPolarHBondContact O-CB 3.44Å; L314-L317 PolarHBondContact O-N 3.31Å
315S95.5Very high95.7Very high43 Ų4363.4 Ų63.430%0.30131%0.311SS..G310 helixtrans-62.2-20.5-176.167.40000114D313 L317 R318D313-S315 VanDerWaalsContact CG-OG 3.3Å; D313-S315 WeakPolarHBondContact OD1-CB 3.09Å; D313-S315 PolarHBondContact OD1-N 3.43Å; D313-S315 PolarHBondContact OD1-OG 2.95Å; D313-S315 PolarHBondContact OD2-OG 3.38Å; S315-L317 PolarHBondContact O-N 3.24Å; S315-R318 WeakPolarHBondContact O-CB 3.28Å; S315-R318 WeakPolarHBondContact O-CG 3.28Å; S315-R318 PolarHBondContact O-N 3.38Å; S315-R318 PolarHBondContact O-NE 3.05Å
316Y97.4Very high95.8Very high62 Ų6262.5 Ų62.524%0.24330%0.301CS..G310 helixtrans-62.1-21.4171.978.6-88.8000113.1L226 L314 Y322L226-Y316 PolarHBondContact N-OH 2.83Å; L226-Y316 PolarHBondContact O-OH 2.75Å; L314-Y316 HydrophobicContact CD2-CE1 4.09Å; L314-Y316 PolarHBondContact O-N 3.43Å; L314-Y316 VanDerWaalsContact O-N 3.11Å; Y316-Y322 HydrophobicContact CD2-CD2 4.25Å; Y316-Y322 HydrophobicContact CD2-CE2 4.5Å; Y316-Y322 HydrophobicContact CE2-CE2 4.45Å; Y316-Y322 WeakPolarHBondContact O-CA 3.44Å; Y316-Y322 VanDerWaalsContact O-CB 3.27Å; Y316-Y322 WeakPolarHBondContact O-CB 3.47Å; Y316-Y322 WeakPolarHBondContact O-CD2 3.38Å; Y316-Y322 PolarHBondContact O-N 3.04Å
317L98.5Very high95.9Very high0 Ų060.3 Ų60.30%029%0.291CS..G310 helixtrans-85-5.8178.3-66.1165.6000113.6L196 L226 R228 I272 L314 S315 E319 Y322L196-L317 HydrophobicContact CD1-CB 4.04Å; L196-L317 HydrophobicContact CD1-CD1 3.65Å; L196-L317 HydrophobicContact CD2-CB 4.33Å; L226-L317 HydrophobicContact CB-CD1 3.76Å; L226-L317 HydrophobicContact CB-CD2 4.3Å; L226-L317 HydrophobicContact CD1-CD1 3.9Å; L226-L317 HydrophobicContact CG-CD1 4.42Å; R228-L317 WeakPolarHBondContact CD-O 3.14Å; R228-L317 HydrophobicContact CG-CD2 4.43Å; R228-L317 PolarHBondContact NH1-O 3.26Å; I272-L317 HydrophobicContact CD1-CB 4.27Å; I272-L317 HydrophobicContact CD1-CD1 4.38Å; I272-L317 HydrophobicContact CD1-CD2 4.48Å; L314-L317 HydrophobicContact CB-CD1 4.2Å; L314-L317 HydrophobicContact CD2-CD1 4.37Å; L314-L317 WeakPolarHBondContact O-CB 3.44Å; L314-L317 PolarHBondContact O-N 3.31Å; S315-L317 PolarHBondContact O-N 3.24Å; L317-E319 PolarHBondContact O-N 2.88Å; L317-Y322 HydrophobicContact CD2-CD2 3.87Å; L317-Y322 HydrophobicContact CD2-CE2 3.74Å
318R97.8Very high95.9Very high108 Ų10864.5 Ų64.541%0.40831%0.31SS..SBendtrans-65.1134.9172.6-63.6-175.9-59.3172.67.3109S315 D320 V321 Y322S315-R318 WeakPolarHBondContact O-CB 3.28Å; S315-R318 WeakPolarHBondContact O-CG 3.28Å; S315-R318 PolarHBondContact O-N 3.38Å; S315-R318 PolarHBondContact O-NE 3.05Å; R318-D320 VanDerWaalsContact C-N 3.3Å; R318-D320 VanDerWaalsContact CB-OD1 3.26Å; R318-D320 WeakPolarHBondContact CB-OD1 3.32Å; R318-D320 PolarHBondContact O-N 2.85Å; R318-V321 PolarHBondContact O-N 3.26Å; R318-Y322 WeakPolarHBondContact O-CB 3.31Å; R318-Y322 PolarHBondContact O-N 2.81Å
319E97.6Very high96.1Very high25 Ų2565.4 Ų65.412%0.11731%0.314CS..Hα-helixtrans-54.1-40.5-169.817862-158.200115.1D200 T202 R228 L317 V321 R323 Y388D200-E319 PolarHBondContact OD2-N 3.5Å; T202-E319 HydrophobicContact CG2-CB 4.13Å; T202-E319 HydrophobicContact CG2-CG 4.03Å; T202-E319 WeakPolarHBondContact OG1-CB 3.42Å; R228-E319 IonicContact CZ-OE2 3.71Å; R228-E319 IonicContact NE-OE2 3.69Å; R228-E319 PolarHBondContact NE-OE2 3.17Å; R228-E319 IonicContact NH2-OE2 2.75Å; R228-E319 PolarHBondContact NH2-OE2 3.32Å; L317-E319 PolarHBondContact O-N 2.88Å; E319-V321 VanDerWaalsContact C-N 3.26Å; E319-V321 PolarHBondContact O-N 3.35Å; E319-R323 WeakPolarHBondContact O-CB 3.43Å; E319-R323 PolarHBondContact O-N 3.02Å; E319-R323 IonicContact OE1-CZ 3.41Å; E319-R323 IonicContact OE1-NE 3.41Å; E319-R323 PolarHBondContact OE1-NE 3.06Å; E319-R323 IonicContact OE1-NH2 2.72Å; E319-R323 PolarHBondContact OE1-NH2 2.83Å; E319-Y388 PolarHBondContact OE1-OH 3.42Å; E319-Y388 PolarHBondContact OE2-OH 2.92Å
320D95.4Very high96.3Very high104 Ų10465.4 Ų65.456%0.55631%0.314SS*.Hα-helixtrans-62.8-31.6178.261.6-45.8000113.1R318 N324R318-D320 VanDerWaalsContact C-N 3.3Å; R318-D320 VanDerWaalsContact CB-OD1 3.26Å; R318-D320 WeakPolarHBondContact CB-OD1 3.32Å; R318-D320 PolarHBondContact O-N 2.85Å; D320-N324 PolarHBondContact O-ND2 3.33Å
321V97.8Very high96.9Very high33 Ų3363.9 Ų63.920%0.231%0.306CS..Hα-helixtrans-87.6-54.2176.4-178.20000110.4R318 E319 R323 N324 Q325R318-V321 PolarHBondContact O-N 3.26Å; E319-V321 VanDerWaalsContact C-N 3.26Å; E319-V321 PolarHBondContact O-N 3.35Å; V321-R323 PolarHBondContact O-N 3.19Å; V321-N324 PolarHBondContact O-N 3.42Å; V321-Q325 HydrophobicContact CG1-CG 4.26Å; V321-Q325 WeakPolarHBondContact O-CG 3.48Å; V321-Q325 PolarHBondContact O-N 2.94Å; V321-Q325 VanDerWaalsContact O-N 3.07Å
322Y98.5Very high97.3Very high12 Ų1263.7 Ų63.75%0.04731%0.305CS..Hα-helixtrans-58.6-46.6-172.8-168.9-94.3000111.6Y227 R228 Y316 L317 R318 N324 Q325 F326 Y388Y227-Y322 WeakPolarHBondContact CD1-OH 3.38Å; R228-Y322 HydrophobicContact CB-CD1 4.02Å; R228-Y322 HydrophobicContact CB-CE1 3.69Å; R228-Y322 HydrophobicContact CG-CD1 3.78Å; R228-Y322 HydrophobicContact CG-CD2 4.32Å; R228-Y322 HydrophobicContact CG-CE1 3.87Å; R228-Y322 HydrophobicContact CG-CE2 4.42Å; R228-Y322 HydrophobicContact CG-CG 3.98Å; R228-Y322 PolarHBondContact N-OH 2.93Å; Y316-Y322 HydrophobicContact CD2-CD2 4.25Å; Y316-Y322 HydrophobicContact CD2-CE2 4.5Å; Y316-Y322 HydrophobicContact CE2-CE2 4.45Å; Y316-Y322 WeakPolarHBondContact O-CA 3.44Å; Y316-Y322 VanDerWaalsContact O-CB 3.27Å; Y316-Y322 WeakPolarHBondContact O-CB 3.47Å; Y316-Y322 WeakPolarHBondContact O-CD2 3.38Å; Y316-Y322 PolarHBondContact O-N 3.04Å; L317-Y322 HydrophobicContact CD2-CD2 3.87Å; L317-Y322 HydrophobicContact CD2-CE2 3.74Å; R318-Y322 WeakPolarHBondContact O-CB 3.31Å; R318-Y322 PolarHBondContact O-N 2.81Å; Y322-N324 VanDerWaalsContact C-N 3.31Å; Y322-N324 PolarHBondContact O-N 3.24Å; Y322-Q325 PolarHBondContact O-N 3.12Å; Y322-F326 HydrophobicContact CD1-CB 4.11Å; Y322-F326 HydrophobicContact CE1-CB 3.99Å; Y322-F326 HydrophobicContact CE1-CD1 4.46Å; Y322-F326 HydrophobicContact CE1-CD2 4.09Å; Y322-F326 AromaticContact CE1-CG 3.94Å; Y322-F326 HydrophobicContact CE1-CG 3.94Å; Y322-F326 AromaticContact CZ-CD2 3.99Å; Y322-F326 WeakPolarHBondContact O-CA 3.39Å; Y322-F326 WeakPolarHBondContact O-CB 3.37Å; Y322-F326 PolarHBondContact O-N 3.34Å; Y322-Y388 HydrophobicContact CD1-CD1 4.1Å; Y322-Y388 AromaticContact CD1-CE1 3.58Å; Y322-Y388 HydrophobicContact CD1-CE1 3.58Å; Y322-Y388 AromaticContact CD1-CZ 3.84Å; Y322-Y388 AromaticContact CE1-CD1 3.67Å; Y322-Y388 HydrophobicContact CE1-CD1 3.67Å; Y322-Y388 AromaticContact CE1-CE1 3.67Å; Y322-Y388 HydrophobicContact CE1-CE1 3.67Å; Y322-Y388 HydrophobicContact CE1-CG 4.2Å
323R97.5Very high97.4Very high89 Ų8963.5 Ų63.534%0.33630%0.304SS..Hα-helixtrans-55.9-46.7-178.2176.8177.6-69.3-93.30.7111.8E319 V321 K327 M389E319-R323 WeakPolarHBondContact O-CB 3.43Å; E319-R323 PolarHBondContact O-N 3.02Å; E319-R323 IonicContact OE1-CZ 3.41Å; E319-R323 IonicContact OE1-NE 3.41Å; E319-R323 PolarHBondContact OE1-NE 3.06Å; E319-R323 IonicContact OE1-NH2 2.72Å; E319-R323 PolarHBondContact OE1-NH2 2.83Å; V321-R323 PolarHBondContact O-N 3.19Å; R323-K327 WeakPolarHBondContact O-CB 3.46Å; R323-K327 VanDerWaalsContact O-CG 3.3Å; R323-K327 WeakPolarHBondContact O-CG 3.26Å; R323-K327 PolarHBondContact O-N 3.47Å; R323-M389 HydrophobicContact CG-SD 3.94Å; R323-M389 PolarHBondContact NH1-SD 2.97Å; R323-M389 VanDerWaalsContact NH1-SD 3.39Å
324N97.5Very high97.5Very high102 Ų10258 Ų5855%0.54528%0.276SS..Hα-helixtrans-72.8-47.3-175.7-68.5-37.3000111.1D320 V321 Y322 F326 K327 Q328D320-N324 PolarHBondContact O-ND2 3.33Å; V321-N324 PolarHBondContact O-N 3.42Å; Y322-N324 VanDerWaalsContact C-N 3.31Å; Y322-N324 PolarHBondContact O-N 3.24Å; N324-F326 VanDerWaalsContact C-N 3.35Å; N324-F326 PolarHBondContact O-N 3.4Å; N324-K327 PolarHBondContact O-N 3.28Å; N324-Q328 PolarHBondContact O-N 3.37Å
325Q98Very high97.5Very high103 Ų10362.2 Ų62.248%0.48130%0.296SS..Hα-helixtrans-62.4-42.3177.2-70.2-177.3-7.300111.9V321 Y322 Q328 L329V321-Q325 HydrophobicContact CG1-CG 4.26Å; V321-Q325 WeakPolarHBondContact O-CG 3.48Å; V321-Q325 PolarHBondContact O-N 2.94Å; V321-Q325 VanDerWaalsContact O-N 3.07Å; Y322-Q325 PolarHBondContact O-N 3.12Å; Q325-Q328 PolarHBondContact O-N 2.84Å; Q325-L329 VanDerWaalsContact O-CB 3.24Å; Q325-L329 WeakPolarHBondContact O-CB 3.4Å; Q325-L329 PolarHBondContact O-N 3Å
326F98.1Very high97.6Very high11 Ų1165.7 Ų65.75%0.04831%0.308CS..Hα-helixtrans-68.2-40179.6-170.1-105.2000111.7Y322 N324 L329 V330 Y388 V391 Y402Y322-F326 HydrophobicContact CD1-CB 4.11Å; Y322-F326 HydrophobicContact CE1-CB 3.99Å; Y322-F326 HydrophobicContact CE1-CD1 4.46Å; Y322-F326 HydrophobicContact CE1-CD2 4.09Å; Y322-F326 AromaticContact CE1-CG 3.94Å; Y322-F326 HydrophobicContact CE1-CG 3.94Å; Y322-F326 AromaticContact CZ-CD2 3.99Å; Y322-F326 WeakPolarHBondContact O-CA 3.39Å; Y322-F326 WeakPolarHBondContact O-CB 3.37Å; Y322-F326 PolarHBondContact O-N 3.34Å; N324-F326 VanDerWaalsContact C-N 3.35Å; N324-F326 PolarHBondContact O-N 3.4Å; F326-L329 PolarHBondContact O-N 2.94Å; F326-V330 HydrophobicContact CD1-CG2 4.2Å; F326-V330 HydrophobicContact CD2-CG2 4.49Å; F326-V330 HydrophobicContact CE1-CG2 3.97Å; F326-V330 HydrophobicContact CE2-CG2 4.26Å; F326-V330 HydrophobicContact CG-CG2 4.46Å; F326-V330 HydrophobicContact CZ-CG2 4Å; F326-V330 WeakPolarHBondContact O-CB 3.15Å; F326-V330 WeakPolarHBondContact O-CG2 3.44Å; F326-V330 PolarHBondContact O-N 3.36Å; F326-Y388 AromaticContact CD1-CD1 3.68Å; F326-Y388 HydrophobicContact CD1-CD1 3.68Å; F326-Y388 HydrophobicContact CD1-CE1 4.11Å; F326-Y388 AromaticContact CE1-CD1 3.86Å; F326-Y388 HydrophobicContact CE1-CD1 3.86Å; F326-Y388 HydrophobicContact CG-CD1 4.39Å; F326-V391 HydrophobicContact CE1-CB 3.73Å; F326-V391 HydrophobicContact CE1-CG1 4.04Å; F326-V391 HydrophobicContact CE1-CG2 4.03Å; F326-V391 HydrophobicContact CZ-CB 3.98Å; F326-V391 HydrophobicContact CZ-CG1 3.87Å; F326-Y402 AromaticContact CE2-CE1 3.95Å; F326-Y402 HydrophobicContact CE2-CE1 3.95Å; F326-Y402 HydrophobicContact CZ-CD1 4.47Å; F326-Y402 HydrophobicContact CZ-CE1 4.31Å
327K97.2Very high97.6Very high91 Ų9164.5 Ų64.540%0.39631%0.305SS..Hα-helixtrans-59.9-48.4171.6-83.2-175.2176.6-169.10111.9R323 N324 L329 V330 Y331 M389R323-K327 WeakPolarHBondContact O-CB 3.46Å; R323-K327 VanDerWaalsContact O-CG 3.3Å; R323-K327 WeakPolarHBondContact O-CG 3.26Å; R323-K327 PolarHBondContact O-N 3.47Å; N324-K327 PolarHBondContact O-N 3.28Å; K327-L329 VanDerWaalsContact C-N 3.34Å; K327-L329 PolarHBondContact O-N 3.48Å; K327-V330 PolarHBondContact O-N 3.5Å; K327-Y331 WeakPolarHBondContact O-CB 3.35Å; K327-Y331 WeakPolarHBondContact O-CD2 3.48Å; K327-Y331 PolarHBondContact O-N 2.7Å; K327-M389 HydrophobicContact CD-CE 4.43Å; K327-M389 HydrophobicContact CG-CE 4.41Å
328Q97.8Very high97.5Very high108 Ų10867.1 Ų67.151%0.50532%0.323SS..Hα-helixtrans-58.9-48.6177.9-175.2-178.9-22.600110.5N324 Q325 V330 E332 D333N324-Q328 PolarHBondContact O-N 3.37Å; Q325-Q328 PolarHBondContact O-N 2.84Å; Q328-V330 VanDerWaalsContact C-N 3.28Å; Q328-V330 PolarHBondContact O-N 2.89Å; Q328-E332 HydrophobicContact CG-CB 4.2Å; Q328-E332 HydrophobicContact CG-CG 4.41Å; Q328-E332 WeakPolarHBondContact O-CA 3.41Å; Q328-E332 WeakPolarHBondContact O-CB 3.41Å; Q328-E332 PolarHBondContact O-N 2.9Å; Q328-D333 PolarHBondContact O-N 3.27Å
329L97.3Very high97.5Very high63 Ų6364 Ų6433%0.3331%0.312SS..Hα-helixtrans-56.6-41.8179.1-175.758.9000112.5Q325 F326 K327 D333 S334 Y402Q325-L329 VanDerWaalsContact O-CB 3.24Å; Q325-L329 WeakPolarHBondContact O-CB 3.4Å; Q325-L329 PolarHBondContact O-N 3Å; F326-L329 PolarHBondContact O-N 2.94Å; K327-L329 VanDerWaalsContact C-N 3.34Å; K327-L329 PolarHBondContact O-N 3.48Å; L329-D333 HydrophobicContact CD1-CB 4.38Å; L329-S334 WeakPolarHBondContact O-CB 3.47Å; L329-S334 PolarHBondContact O-N 3.35Å; L329-S334 PolarHBondContact O-OG 2.86Å; L329-Y402 WeakPolarHBondContact CD2-OH 3.16Å; L329-Y402 HydrophobicContact CG-CE2 4.1Å; L329-Y402 WeakPolarHBondContact CG-OH 3.26Å
330V98.4Very high97.5Very high0 Ų070 Ų700%034%0.339CS..Hα-helixtrans-80.5-45.5-176.2173.40000112.7F326 K327 Q328 S334 R357 V391 Y402 A404F326-V330 HydrophobicContact CD1-CG2 4.2Å; F326-V330 HydrophobicContact CD2-CG2 4.49Å; F326-V330 HydrophobicContact CE1-CG2 3.97Å; F326-V330 HydrophobicContact CE2-CG2 4.26Å; F326-V330 HydrophobicContact CG-CG2 4.46Å; F326-V330 HydrophobicContact CZ-CG2 4Å; F326-V330 WeakPolarHBondContact O-CB 3.15Å; F326-V330 WeakPolarHBondContact O-CG2 3.44Å; F326-V330 PolarHBondContact O-N 3.36Å; K327-V330 PolarHBondContact O-N 3.5Å; Q328-V330 VanDerWaalsContact C-N 3.28Å; Q328-V330 PolarHBondContact O-N 2.89Å; V330-S334 WeakPolarHBondContact O-CB 3.46Å; V330-R357 HydrophobicContact CG1-CG 4.45Å; V330-R357 VanDerWaalsContact O-CD 3.28Å; V330-R357 WeakPolarHBondContact O-CD 3.43Å; V330-R357 PolarHBondContact O-NE 3.45Å; V330-V391 HydrophobicContact CG1-CG1 4.2Å; V330-V391 HydrophobicContact CG1-CG2 4.13Å; V330-V391 HydrophobicContact CG2-CG1 3.98Å; V330-Y402 HydrophobicContact CG1-CG 4.46Å; V330-Y402 HydrophobicContact CG2-CD1 3.66Å; V330-Y402 HydrophobicContact CG2-CD2 4.2Å; V330-Y402 HydrophobicContact CG2-CE1 3.92Å; V330-Y402 HydrophobicContact CG2-CE2 4.45Å; V330-Y402 HydrophobicContact CG2-CG 3.81Å; V330-A404 HydrophobicContact CG1-CB 3.89Å
331Y98.1Very high97.6Very high36 Ų3668.8 Ų68.814%0.14133%0.332CS..Hα-helixtrans-99.7-28.2-168.2-65.8-76000113.9K327 A404 P405K327-Y331 WeakPolarHBondContact O-CB 3.35Å; K327-Y331 WeakPolarHBondContact O-CD2 3.48Å; K327-Y331 PolarHBondContact O-N 2.7Å; Y331-A404 HydrophobicContact CE1-CB 4.47Å; Y331-P405 WeakPolarHBondContact CE1-O 3.36Å; Y331-P405 PolarHBondContact OH-O 3.29Å; Y331-P405 VanDerWaalsContact OH-O 3.13Å
332E97.3Very high97.6Very high143 Ų14367.2 Ų67.267%0.66832%0.322SS*.THydrogen-bonded Turntrans-107-49.3-177.2-51.5-58.4151.500111.5Q328Q328-E332 HydrophobicContact CG-CB 4.2Å; Q328-E332 HydrophobicContact CG-CG 4.41Å; Q328-E332 WeakPolarHBondContact O-CA 3.41Å; Q328-E332 WeakPolarHBondContact O-CB 3.41Å; Q328-E332 PolarHBondContact O-N 2.9Å
333D97.6Very high97.5Very high66 Ų6669 Ų6935%0.35333%0.331SS..SBendtrans-82.6-16.1-174.1-58.2-26.7000112.7Q328 L329 K354Q328-D333 PolarHBondContact O-N 3.27Å; L329-D333 HydrophobicContact CD1-CB 4.38Å; D333-K354 VanDerWaalsContact C-NZ 3.31Å; D333-K354 WeakPolarHBondContact O-CE 3.43Å; D333-K354 WeakPolarHBondContact O-CG 3.02Å; D333-K354 PolarHBondContact O-NZ 3.41Å
334S97.9Very high97.4Very high8 Ų870 Ų706%0.05634%0.344CS..SBendtrans-92149.1176.2-62.90000112.3L329 V330 S355 Y402L329-S334 WeakPolarHBondContact O-CB 3.47Å; L329-S334 PolarHBondContact O-N 3.35Å; L329-S334 PolarHBondContact O-OG 2.86Å; V330-S334 WeakPolarHBondContact O-CB 3.46Å; S334-S355 CarbonylContact C-O 3.57Å; S334-S355 WeakPolarHBondContact CA-O 3.48Å; S334-S355 WeakPolarHBondContact CB-O 3.36Å; S334-S355 WeakPolarHBondContact OG-CB 3.34Å; S334-S355 PolarHBondContact OG-OG 3.2Å; S334-Y402 VanDerWaalsContact OG-CD2 3.31Å; S334-Y402 WeakPolarHBondContact OG-CD2 3.47Å
335M96.6Very high97.3Very high100 Ų10068.8 Ų68.849%0.49334%0.337SS..EExtended strand (participates in β ladder)trans-80.9121.4170.9-177.4-179.7-67.100109.9M337 S355 I356 R357M335-M337 HydrophobicContact SD-CE 4.24Å; M335-S355 PolarHBondContact N-O 2.9Å; M335-I356 CarbonylContact O-C 3.38Å; M335-I356 VanDerWaalsContact O-CA 3.31Å; M335-I356 WeakPolarHBondContact O-CA 3.32Å; M335-R357 PolarHBondContact O-N 3.49Å
336E97.3Very high97Very high115 Ų11567.4 Ų67.454%0.53733%0.328SS..EExtended strand (participates in β ladder)trans-70.5131.5171.6-176.5159.4-15400110.5R357 T359E336-R357 WeakPolarHBondContact CA-O 3.3Å; E336-R357 VanDerWaalsContact CD-NH1 3.35Å; E336-R357 VanDerWaalsContact CD-NH2 3.29Å; E336-R357 IonicContact OE1-CZ 3.08Å; E336-R357 IonicContact OE1-NH1 2.67Å; E336-R357 PolarHBondContact OE1-NH1 3.36Å; E336-R357 VanDerWaalsContact OE1-NH1 3.1Å; E336-R357 IonicContact OE1-NH2 2.75Å; E336-R357 IonicContact OE2-CZ 3.76Å; E336-R357 IonicContact OE2-NH1 3.1Å; E336-R357 PolarHBondContact OE2-NH1 3.48Å; E336-R357 IonicContact OE2-NH2 3.82Å; E336-R357 PolarHBondContact OE2-NH2 3.19Å; E336-T359 PolarHBondContact OE1-OG1 3.15Å
337M97.1Very high96.6Very high38 Ų3877.8 Ų77.819%0.18737%0.367CS..  trans-143.9141.2179.8-169.8178.8-69.200109.8M335 D341 Y342 I356 R357M335-M337 HydrophobicContact SD-CE 4.24Å; M337-D341 HydrophobicContact CG-CB 3.98Å; M337-Y342 VanDerWaalsContact SD-CA 3.51Å; M337-Y342 HydrophobicContact SD-CD2 4.19Å; M337-I356 HydrophobicContact CB-CG2 3.65Å; M337-I356 HydrophobicContact CE-CD1 4.18Å; M337-I356 HydrophobicContact SD-CD1 4.45Å; M337-I356 HydrophobicContact SD-CG2 4.45Å; M337-R357 PolarHBondContact N-O 3.27Å
338S97.8Very high96.4Very high55 Ų5577.7 Ų77.739%0.38538%0.377SS..  trans-68.6150.5172.385.70000110.4K340 D341 Y342S338-K340 PolarHBondContact O-N 3.28Å; S338-D341 PolarHBondContact O-N 3.28Å; S338-D341 WeakPolarHBondContact OG-CB 3.44Å; S338-D341 PolarHBondContact OG-N 2.88Å; S338-D341 VanDerWaalsContact OG-N 3.07Å; S338-D341 PolarHBondContact OG-OD2 2.05Å; S338-Y342 WeakPolarHBondContact O-CB 3.26Å; S338-Y342 PolarHBondContact O-N 3.24Å
339F97.7Very high96.1Very high41 Ų4173.9 Ų73.918%0.1836%0.36CS..Hα-helixtrans-61.3-35.4177.1-178.4-121.7000112.9Y342 M343 I358 E368 I369 P372 L373F339-Y342 HydrophobicContact CD2-CD1 4.44Å; F339-Y342 HydrophobicContact CE2-CD1 4.49Å; F339-Y342 PolarHBondContact O-N 2.83Å; F339-M343 HydrophobicContact CD1-CG 4.36Å; F339-M343 HydrophobicContact CD2-CG 3.98Å; F339-M343 HydrophobicContact CE1-CG 3.95Å; F339-M343 HydrophobicContact CE2-CG 3.55Å; F339-M343 HydrophobicContact CE2-SD 3.76Å; F339-M343 HydrophobicContact CG-CG 4.38Å; F339-M343 HydrophobicContact CZ-CE 4.46Å; F339-M343 HydrophobicContact CZ-CG 3.54Å; F339-M343 HydrophobicContact CZ-SD 3.8Å; F339-M343 WeakPolarHBondContact O-CB 3.44Å; F339-M343 VanDerWaalsContact O-CG 3.28Å; F339-M343 WeakPolarHBondContact O-CG 3.42Å; F339-M343 PolarHBondContact O-N 3.39Å; F339-I358 HydrophobicContact CB-CD1 4.39Å; F339-I358 HydrophobicContact CB-CG2 3.89Å; F339-I358 HydrophobicContact CD2-CD1 3.86Å; F339-E368 WeakPolarHBondContact CE1-O 3.15Å; F339-I369 HydrophobicContact CB-CG1 3.91Å; F339-I369 HydrophobicContact CD1-CG1 4.13Å; F339-I369 HydrophobicContact CD2-CB 4.27Å; F339-I369 HydrophobicContact CD2-CG1 4.12Å; F339-I369 HydrophobicContact CD2-CG2 3.88Å; F339-I369 HydrophobicContact CE2-CB 4.43Å; F339-I369 HydrophobicContact CE2-CG2 4.02Å; F339-I369 HydrophobicContact CG-CB 4.36Å; F339-I369 HydrophobicContact CG-CG1 3.79Å; F339-I369 HydrophobicContact CG-CG2 4.41Å; F339-P372 HydrophobicContact CE1-CG 4.02Å; F339-P372 HydrophobicContact CZ-CB 4Å; F339-P372 HydrophobicContact CZ-CG 3.81Å; F339-L373 HydrophobicContact CE2-CD1 4.23Å; F339-L373 HydrophobicContact CE2-CD2 4.41Å; F339-L373 HydrophobicContact CE2-CG 4.14Å
340K97.3Very high95.8Very high153 Ų15375.1 Ų75.167%0.66537%0.372SS*.Hα-helixtrans-62.1-48.1176.1-176.1-179.1177.2-175.80111.1S338 Y342 M343 N344S338-K340 PolarHBondContact O-N 3.28Å; K340-Y342 VanDerWaalsContact C-N 3.33Å; K340-Y342 PolarHBondContact O-N 2.88Å; K340-M343 PolarHBondContact O-N 2.86Å; K340-N344 WeakPolarHBondContact O-CB 2.95Å; K340-N344 PolarHBondContact O-N 3.08Å; K340-N344 PolarHBondContact O-ND2 3.46Å
341D97.1Very high95.4Very high77 Ų7781.4 Ų81.441%0.41240%0.396SS..Hα-helixtrans-66.9-38.5179.8-60.7-36.2000111.2M337 S338 N344 N345M337-D341 HydrophobicContact CG-CB 3.98Å; S338-D341 PolarHBondContact O-N 3.28Å; S338-D341 WeakPolarHBondContact OG-CB 3.44Å; S338-D341 PolarHBondContact OG-N 2.88Å; S338-D341 VanDerWaalsContact OG-N 3.07Å; S338-D341 PolarHBondContact OG-OD2 2.05Å; D341-N344 PolarHBondContact O-N 2.74Å; D341-N345 WeakPolarHBondContact O-CB 3.49Å; D341-N345 PolarHBondContact O-N 3.1Å; D341-N345 PolarHBondContact O-ND2 3.06Å
342Y97.1Very high94.8Very high0 Ų085.4 Ų85.40%042%0.42CS..Hα-helixtrans-57.4-53.1171.9177.9-101.3000111.3M337 S338 F339 K340 N344 N345 R346 I349 I356 I358 L373 V396 H399 L401M337-Y342 VanDerWaalsContact SD-CA 3.51Å; M337-Y342 HydrophobicContact SD-CD2 4.19Å; S338-Y342 WeakPolarHBondContact O-CB 3.26Å; S338-Y342 PolarHBondContact O-N 3.24Å; F339-Y342 HydrophobicContact CD2-CD1 4.44Å; F339-Y342 HydrophobicContact CE2-CD1 4.49Å; F339-Y342 PolarHBondContact O-N 2.83Å; K340-Y342 VanDerWaalsContact C-N 3.33Å; K340-Y342 PolarHBondContact O-N 2.88Å; Y342-N344 VanDerWaalsContact C-N 3.27Å; Y342-N344 PolarHBondContact O-N 2.98Å; Y342-N345 CarbonylContact O-C 3.51Å; Y342-N345 PolarHBondContact O-N 3.17Å; Y342-N345 VanDerWaalsContact O-N 3.15Å; Y342-R346 HydrophobicContact CE1-CB 4.12Å; Y342-R346 HydrophobicContact CE2-CB 4.23Å; Y342-R346 WeakPolarHBondContact O-CA 3.42Å; Y342-R346 WeakPolarHBondContact O-CB 3.29Å; Y342-R346 PolarHBondContact O-N 3.08Å; Y342-I349 HydrophobicContact CD2-CD1 3.96Å; Y342-I349 HydrophobicContact CE2-CD1 3.97Å; Y342-I356 HydrophobicContact CD2-CD1 4.06Å; Y342-I356 HydrophobicContact CE2-CD1 4.1Å; Y342-I358 HydrophobicContact CD1-CD1 4.11Å; Y342-I358 HydrophobicContact CG-CD1 3.91Å; Y342-L373 HydrophobicContact CE1-CD2 4.03Å; Y342-V396 WeakPolarHBondContact OH-CB 3.21Å; Y342-V396 WeakPolarHBondContact OH-CG1 3.33Å; Y342-H399 AromaticContact CE2-NE2 3.29Å; Y342-H399 VanDerWaalsContact CE2-NE2 3.29Å; Y342-H399 WeakPolarHBondContact CE2-NE2 3.48Å; Y342-H399 AromaticContact CZ-NE2 3.71Å; Y342-H399 PolarHBondContact OH-NE2 2.79Å; Y342-L401 HydrophobicContact CD2-CD1 4.42Å; Y342-L401 HydrophobicContact CE1-CD2 4.23Å; Y342-L401 HydrophobicContact CE2-CD1 4.3Å
343M96.3Very high94.5Very high49 Ų4980.3 Ų80.324%0.24140%0.4CS..Hα-helixtrans-62.6-33.9-177.5-72.2-63.7-73.200113F339 K340 P372 L373F339-M343 HydrophobicContact CD1-CG 4.36Å; F339-M343 HydrophobicContact CD2-CG 3.98Å; F339-M343 HydrophobicContact CE1-CG 3.95Å; F339-M343 HydrophobicContact CE2-CG 3.55Å; F339-M343 HydrophobicContact CE2-SD 3.76Å; F339-M343 HydrophobicContact CG-CG 4.38Å; F339-M343 HydrophobicContact CZ-CE 4.46Å; F339-M343 HydrophobicContact CZ-CG 3.54Å; F339-M343 HydrophobicContact CZ-SD 3.8Å; F339-M343 WeakPolarHBondContact O-CB 3.44Å; F339-M343 VanDerWaalsContact O-CG 3.28Å; F339-M343 WeakPolarHBondContact O-CG 3.42Å; F339-M343 PolarHBondContact O-N 3.39Å; K340-M343 PolarHBondContact O-N 2.86Å; M343-P372 HydrophobicContact CE-CB 4Å; M343-L373 HydrophobicContact SD-CD2 4.41Å
344N96.1Very high94.2Very high112 Ų11282.6 Ų82.660%0.59941%0.407SS*.Hα-helixtrans-70.8-37.3176-69.6-19.7000112.6K340 D341 Y342K340-N344 WeakPolarHBondContact O-CB 2.95Å; K340-N344 PolarHBondContact O-N 3.08Å; K340-N344 PolarHBondContact O-ND2 3.46Å; D341-N344 PolarHBondContact O-N 2.74Å; Y342-N344 VanDerWaalsContact C-N 3.27Å; Y342-N344 PolarHBondContact O-N 2.98Å
345N94.2Very high94.2Very high76 Ų7682.9 Ų82.941%0.40641%0.409SS..Hα-helixtrans-106.3-6-171.8-62.8-69.4000114.4D341 Y342 R347 S348 I349D341-N345 WeakPolarHBondContact O-CB 3.49Å; D341-N345 PolarHBondContact O-N 3.1Å; D341-N345 PolarHBondContact O-ND2 3.06Å; Y342-N345 CarbonylContact O-C 3.51Å; Y342-N345 PolarHBondContact O-N 3.17Å; Y342-N345 VanDerWaalsContact O-N 3.15Å; N345-R347 PolarHBondContact O-N 2.95Å; N345-S348 PolarHBondContact O-N 3.25Å; N345-S348 PolarHBondContact O-OG 3.01Å; N345-I349 WeakPolarHBondContact O-CG1 3.46Å; N345-I349 PolarHBondContact O-N 3.09Å
346R92.6Very high94.3Very high73 Ų7378.4 Ų78.428%0.27539%0.387SS..THydrogen-bonded Turntrans-55.6-19.3-171.962.9-178.7177.2165.42.4116.3Y342 N397Y342-R346 HydrophobicContact CE1-CB 4.12Å; Y342-R346 HydrophobicContact CE2-CB 4.23Å; Y342-R346 WeakPolarHBondContact O-CA 3.42Å; Y342-R346 WeakPolarHBondContact O-CB 3.29Å; Y342-R346 PolarHBondContact O-N 3.08Å; R346-N397 PolarHBondContact O-ND2 2.84Å
347R89.7Confident94.3Very high230 Ų23073.9 Ų73.987%0.86837%0.365SS*.THydrogen-bonded Turntrans-85.7-22.8176.7-67.8-176179.3175.50.3113N345N345-R347 PolarHBondContact O-N 2.95Å
348S92.7Very high94.4Very high88 Ų8872.1 Ų72.162%0.61536%0.357SS*.THydrogen-bonded Turntrans-97.2-8.4178.857.50000113.2N345 P350N345-S348 PolarHBondContact O-N 3.25Å; N345-S348 PolarHBondContact O-OG 3.01Å; S348-P350 WeakPolarHBondContact O-CD 3.44Å
349I92.5Very high94.4Very high28 Ų2871.1 Ų71.114%0.14435%0.348CS..SBendtrans-69.3122.1175.2-63173.4000109Y342 N345 S353 I356Y342-I349 HydrophobicContact CD2-CD1 3.96Å; Y342-I349 HydrophobicContact CE2-CD1 3.97Å; N345-I349 WeakPolarHBondContact O-CG1 3.46Å; N345-I349 PolarHBondContact O-N 3.09Å; I349-S353 WeakPolarHBondContact CG2-OG 3.42Å; I349-I356 HydrophobicContact CD1-CD1 3.66Å; I349-I356 HydrophobicContact CG2-CD1 4.42Å
350P90.3Very high94.5Very high89 Ų8969.5 Ų69.558%0.57834%0.341SS*.PPolyproline II helixtrans-61.7149.9179.9-23.934.5000113.2S348 S353S348-P350 WeakPolarHBondContact O-CD 3.44Å; P350-S353 VanDerWaalsContact O-CB 3.24Å; P350-S353 WeakPolarHBondContact O-CB 3.5Å; P350-S353 PolarHBondContact O-N 2.82Å; P350-S353 PolarHBondContact O-OG 3.18Å
351Y89.9Confident94.4Very high133 Ų13369.4 Ų69.452%0.52234%0.34SS..THydrogen-bonded Turntrans-60142.3169-163.3-81.9000110S353Y351-S353 PolarHBondContact O-N 3.17Å
352N86.1Confident94.4Very high120 Ų12068.6 Ų68.664%0.64234%0.338SS*.THydrogen-bonded Turntrans56.125.6-174.8-64.8-25.7000114.7G398N352-G398 PolarHBondContact N-O 3.27Å
353S89.8Confident94.4Very high35 Ų3572.3 Ų72.325%0.24535%0.352CS..PPolyproline II helixtrans-63.6164.6169.350.50000111.8I349 P350 Y351 S355 H399I349-S353 WeakPolarHBondContact CG2-OG 3.42Å; P350-S353 VanDerWaalsContact O-CB 3.24Å; P350-S353 WeakPolarHBondContact O-CB 3.5Å; P350-S353 PolarHBondContact O-N 2.82Å; P350-S353 PolarHBondContact O-OG 3.18Å; Y351-S353 PolarHBondContact O-N 3.17Å; S353-S355 PolarHBondContact O-N 2.9Å; S353-H399 WeakPolarHBondContact OG-CB 3.2Å
354K93.2Very high94.5Very high114 Ų11476.6 Ų76.650%0.49637%0.37SS..PPolyproline II helixtrans-49.6139.1171.3-178.8171.1159.8110.80109.5D333D333-K354 VanDerWaalsContact C-NZ 3.31Å; D333-K354 WeakPolarHBondContact O-CE 3.43Å; D333-K354 WeakPolarHBondContact O-CG 3.02Å; D333-K354 PolarHBondContact O-NZ 3.41Å
355S97.4Very high94.5Very high15 Ų1574.3 Ų74.311%0.10536%0.355CS..PPolyproline II helixtrans-59.1150.8178.348.30000111.3S334 M335 S353 R400S334-S355 CarbonylContact C-O 3.57Å; S334-S355 WeakPolarHBondContact CA-O 3.48Å; S334-S355 WeakPolarHBondContact CB-O 3.36Å; S334-S355 WeakPolarHBondContact OG-CB 3.34Å; S334-S355 PolarHBondContact OG-OG 3.2Å; M335-S355 PolarHBondContact N-O 2.9Å; S353-S355 PolarHBondContact O-N 2.9Å; S355-R400 CarbonylContact C-O 3.47Å; S355-R400 VanDerWaalsContact CA-O 3.31Å; S355-R400 WeakPolarHBondContact CA-O 3.49Å
356I98.1Very high94.8Very high5 Ų570.8 Ų70.83%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-113.3135.1-176.9-62.4171.1000108.9M335 M337 Y342 I349 I358 R400 L401 Y402M335-I356 CarbonylContact O-C 3.38Å; M335-I356 VanDerWaalsContact O-CA 3.31Å; M335-I356 WeakPolarHBondContact O-CA 3.32Å; M337-I356 HydrophobicContact CB-CG2 3.65Å; M337-I356 HydrophobicContact CE-CD1 4.18Å; M337-I356 HydrophobicContact SD-CD1 4.45Å; M337-I356 HydrophobicContact SD-CG2 4.45Å; Y342-I356 HydrophobicContact CD2-CD1 4.06Å; Y342-I356 HydrophobicContact CE2-CD1 4.1Å; I349-I356 HydrophobicContact CD1-CD1 3.66Å; I349-I356 HydrophobicContact CG2-CD1 4.42Å; I356-I358 HydrophobicContact CG2-CG1 4.27Å; I356-R400 PolarHBondContact N-O 3.16Å; I356-L401 HydrophobicContact CB-CD1 3.76Å; I356-L401 HydrophobicContact CG2-CD1 3.69Å; I356-L401 CarbonylContact O-C 3.55Å; I356-L401 WeakPolarHBondContact O-CA 3.36Å; I356-Y402 PolarHBondContact O-N 2.76Å
357R98.3Very high95Very high21 Ų2170.1 Ų70.18%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-104.7125.2170.3176.9172.357.693.4-0.9109.6V330 M335 E336 M337 T359 Y402 A404V330-R357 HydrophobicContact CG1-CG 4.45Å; V330-R357 VanDerWaalsContact O-CD 3.28Å; V330-R357 WeakPolarHBondContact O-CD 3.43Å; V330-R357 PolarHBondContact O-NE 3.45Å; M335-R357 PolarHBondContact O-N 3.49Å; E336-R357 WeakPolarHBondContact CA-O 3.3Å; E336-R357 VanDerWaalsContact CD-NH1 3.35Å; E336-R357 VanDerWaalsContact CD-NH2 3.29Å; E336-R357 IonicContact OE1-CZ 3.08Å; E336-R357 IonicContact OE1-NH1 2.67Å; E336-R357 PolarHBondContact OE1-NH1 3.36Å; E336-R357 VanDerWaalsContact OE1-NH1 3.1Å; E336-R357 IonicContact OE1-NH2 2.75Å; E336-R357 IonicContact OE2-CZ 3.76Å; E336-R357 IonicContact OE2-NH1 3.1Å; E336-R357 PolarHBondContact OE2-NH1 3.48Å; E336-R357 IonicContact OE2-NH2 3.82Å; E336-R357 PolarHBondContact OE2-NH2 3.19Å; M337-R357 PolarHBondContact N-O 3.27Å; R357-T359 PolarHBondContact NH1-OG1 3.15Å; R357-Y402 CarbonylContact C-O 3.57Å; R357-Y402 WeakPolarHBondContact CA-O 3.22Å; R357-A404 HydrophobicContact CG-CB 3.96Å
358I98.5Very high95.4Very high1 Ų164.2 Ų64.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-110.6117.2169.5-60.6-177.1000107.9F339 Y342 I356 I369 L401 Y402 I403 A404F339-I358 HydrophobicContact CB-CD1 4.39Å; F339-I358 HydrophobicContact CB-CG2 3.89Å; F339-I358 HydrophobicContact CD2-CD1 3.86Å; Y342-I358 HydrophobicContact CD1-CD1 4.11Å; Y342-I358 HydrophobicContact CG-CD1 3.91Å; I356-I358 HydrophobicContact CG2-CG1 4.27Å; I358-I369 HydrophobicContact CG2-CD1 3.58Å; I358-I369 HydrophobicContact CG2-CG1 4.03Å; I358-I369 HydrophobicContact CG2-CG2 4.35Å; I358-L401 HydrophobicContact CD1-CD1 3.62Å; I358-L401 HydrophobicContact CD1-CD2 4.01Å; I358-L401 HydrophobicContact CD1-CG 4.25Å; I358-L401 HydrophobicContact CG1-CD1 3.69Å; I358-Y402 PolarHBondContact N-O 2.85Å; I358-I403 WeakPolarHBondContact O-CA 3.47Å; I358-A404 PolarHBondContact O-N 2.64Å
359T98.4Very high95.7Very high33 Ų3360.3 Ų60.320%0.20229%0.291CS..EExtended strand (participates in β ladder)trans-83.4134.3-177.2-55.70000111.1E336 R357 A404 P406E336-T359 PolarHBondContact OE1-OG1 3.15Å; R357-T359 PolarHBondContact NH1-OG1 3.15Å; T359-A404 CarbonylContact C-O 3.49Å; T359-A404 VanDerWaalsContact CA-O 3.23Å; T359-A404 WeakPolarHBondContact CA-O 3.4Å; T359-P406 HydrophobicContact CG2-CB 4.44Å; T359-P406 HydrophobicContact CG2-CG 4.01Å
360Y98.3Very high95.9Very high8 Ų859 Ų593%0.03128%0.284CS..  trans-123.7141.5167.773-88.1000110.2F366 G390 I403 A404 P405 P406 W416Y360-F366 AromaticContact CD1-CD2 3.94Å; Y360-F366 HydrophobicContact CD1-CD2 3.94Å; Y360-F366 HydrophobicContact CD2-CB 3.75Å; Y360-F366 HydrophobicContact CD2-CD2 4.32Å; Y360-F366 AromaticContact CE1-CD2 3.8Å; Y360-F366 HydrophobicContact CE1-CD2 3.8Å; Y360-F366 HydrophobicContact CE1-CE2 4.43Å; Y360-F366 HydrophobicContact CE2-CB 4.19Å; Y360-F366 HydrophobicContact CE2-CD2 4.23Å; Y360-F366 HydrophobicContact CG-CB 3.98Å; Y360-F366 HydrophobicContact CG-CD2 4.18Å; Y360-F366 AromaticContact CZ-CD2 3.96Å; Y360-G390 PolarHBondContact OH-O 3.05Å; Y360-I403 HydrophobicContact CD1-CG2 3.56Å; Y360-I403 HydrophobicContact CE1-CG2 3.96Å; Y360-A404 VanDerWaalsContact CD1-C 3.41Å; Y360-A404 WeakPolarHBondContact CD1-O 3.42Å; Y360-A404 PolarHBondContact N-O 3.23Å; Y360-P405 WeakPolarHBondContact O-CA 3.26Å; Y360-P406 WeakPolarHBondContact O-CD 3.33Å; Y360-W416 HydrophobicContact CE2-CH2 4.15Å; Y360-W416 AromaticContact CE2-CZ3 3.93Å; Y360-W416 HydrophobicContact CE2-CZ3 3.93Å
361K96.7Very high96.2Very high150 Ų15062.3 Ų62.365%0.65229%0.289SS*.  trans-110.2-25.8179.9-62.4177.5-177.81760112.7E365 P406K361-E365 WeakPolarHBondContact CB-OE2 3.04Å; K361-E365 PolarHBondContact N-OE2 3.09Å; K361-P406 HydrophobicContact CG-CG 3.83Å
362T96.7Very high96.5Very high60 Ų6059.2 Ų59.237%0.36829%0.286SS..SBendtrans-126.3159.4-176.868.60000111.1K364 E365 F366T362-K364 PolarHBondContact O-N 3.26Å; T362-E365 PolarHBondContact O-N 3.37Å; T362-E365 WeakPolarHBondContact OG1-CG 3.24Å; T362-E365 PolarHBondContact OG1-N 3.35Å; T362-E365 VanDerWaalsContact OG1-N 3.15Å; T362-F366 PolarHBondContact O-N 3.34Å
363R96.8Very high96.9Very high78 Ų7854.2 Ų54.229%0.29426%0.259SS..Hα-helixtrans-52.3-43.6170.9177.5-177.7172.8153.212.6111.5F366 E367 F379 W416 V417R363-F366 WeakPolarHBondContact O-CB 3.33Å; R363-F366 PolarHBondContact O-N 2.81Å; R363-E367 HydrophobicContact CG-CG 4.5Å; R363-E367 WeakPolarHBondContact CG-OE1 3.26Å; R363-E367 IonicContact CZ-OE1 3.76Å; R363-E367 IonicContact NE-OE1 3.84Å; R363-E367 PolarHBondContact NE-OE1 3.24Å; R363-E367 IonicContact NH2-OE1 2.76Å; R363-E367 WeakPolarHBondContact O-CG 3.41Å; R363-E367 PolarHBondContact O-N 2.79Å; R363-F379 HydrophobicContact CG-CD2 4.22Å; R363-F379 HydrophobicContact CG-CE2 3.97Å; R363-W416 HydrophobicContact CB-CD2 3.78Å; R363-W416 HydrophobicContact CB-CE3 4.19Å; R363-W416 HydrophobicContact CB-CG 4.07Å; R363-W416 HydrophobicContact CB-CZ2 4.21Å; R363-W416 VanDerWaalsContact N-CZ2 3.3Å; R363-V417 PolarHBondContact NH1-O 3.3Å; R363-V417 PolarHBondContact NH2-O 3.36Å
364K97.4Very high97.1Very high140 Ų14053.4 Ų53.461%0.60926%0.256SS*.Hα-helixtrans-62.1-45.4179.9-176.7179.2174.1-174.20111.8T362 F366 E367 E368T362-K364 PolarHBondContact O-N 3.26Å; K364-F366 VanDerWaalsContact C-N 3.33Å; K364-F366 PolarHBondContact O-N 2.86Å; K364-E367 PolarHBondContact O-N 2.79Å; K364-E368 WeakPolarHBondContact CE-OE1 3.32Å; K364-E368 WeakPolarHBondContact O-CG 3.48Å; K364-E368 PolarHBondContact O-N 3Å
365E98Very high97.3Very high64 Ų6448.1 Ų48.130%0.29923%0.233SC..Hα-helixtrans-61.8-41175.8-74.1168.1-145.200111.7K361 T362 E367 E368 I369K361-E365 WeakPolarHBondContact CB-OE2 3.04Å; K361-E365 PolarHBondContact N-OE2 3.09Å; T362-E365 PolarHBondContact O-N 3.37Å; T362-E365 WeakPolarHBondContact OG1-CG 3.24Å; T362-E365 PolarHBondContact OG1-N 3.35Å; T362-E365 VanDerWaalsContact OG1-N 3.15Å; E365-E367 PolarHBondContact O-N 3.26Å; E365-E368 PolarHBondContact O-N 3.44Å; E365-I369 WeakPolarHBondContact O-CD1 3.32Å; E365-I369 VanDerWaalsContact O-CG1 3.3Å; E365-I369 WeakPolarHBondContact O-CG1 3.41Å; E365-I369 PolarHBondContact O-N 2.94Å; E365-I369 VanDerWaalsContact O-N 3.11Å
366F98.5Very high97.1Very high1 Ų147.5 Ų47.50%0.00423%0.228CC..Hα-helixtrans-59.3-47.3173.6178.7-90.1000111.3Y360 T362 R363 K364 E368 I369 A370 I375 F379 V392 I403Y360-F366 AromaticContact CD1-CD2 3.94Å; Y360-F366 HydrophobicContact CD1-CD2 3.94Å; Y360-F366 HydrophobicContact CD2-CB 3.75Å; Y360-F366 HydrophobicContact CD2-CD2 4.32Å; Y360-F366 AromaticContact CE1-CD2 3.8Å; Y360-F366 HydrophobicContact CE1-CD2 3.8Å; Y360-F366 HydrophobicContact CE1-CE2 4.43Å; Y360-F366 HydrophobicContact CE2-CB 4.19Å; Y360-F366 HydrophobicContact CE2-CD2 4.23Å; Y360-F366 HydrophobicContact CG-CB 3.98Å; Y360-F366 HydrophobicContact CG-CD2 4.18Å; Y360-F366 AromaticContact CZ-CD2 3.96Å; T362-F366 PolarHBondContact O-N 3.34Å; R363-F366 WeakPolarHBondContact O-CB 3.33Å; R363-F366 PolarHBondContact O-N 2.81Å; K364-F366 VanDerWaalsContact C-N 3.33Å; K364-F366 PolarHBondContact O-N 2.86Å; F366-E368 VanDerWaalsContact C-N 3.33Å; F366-E368 PolarHBondContact O-N 2.86Å; F366-I369 PolarHBondContact O-N 2.77Å; F366-A370 HydrophobicContact CD1-CB 4.14Å; F366-A370 HydrophobicContact CE1-CB 3.83Å; F366-A370 HydrophobicContact CZ-CB 4.23Å; F366-A370 WeakPolarHBondContact O-CB 3.37Å; F366-A370 PolarHBondContact O-N 2.84Å; F366-I375 HydrophobicContact CZ-CG2 4.37Å; F366-F379 HydrophobicContact CB-CE2 4.49Å; F366-F379 HydrophobicContact CB-CZ 3.99Å; F366-F379 AromaticContact CD1-CE2 3.48Å; F366-F379 HydrophobicContact CD1-CE2 3.48Å; F366-F379 VanDerWaalsContact CD1-CE2 3.48Å; F366-F379 AromaticContact CD1-CZ 3.34Å; F366-F379 HydrophobicContact CD1-CZ 3.34Å; F366-F379 HydrophobicContact CD2-CZ 4.23Å; F366-F379 AromaticContact CE1-CE2 3.95Å; F366-F379 HydrophobicContact CE1-CE2 3.95Å; F366-F379 AromaticContact CE1-CZ 3.81Å; F366-F379 HydrophobicContact CE1-CZ 3.81Å; F366-F379 HydrophobicContact CG-CE2 4.14Å; F366-F379 AromaticContact CG-CZ 3.58Å; F366-F379 HydrophobicContact CG-CZ 3.58Å; F366-F379 HydrophobicContact CZ-CZ 4.43Å; F366-V392 HydrophobicContact CE2-CB 4.38Å; F366-V392 HydrophobicContact CE2-CG2 3.77Å; F366-V392 HydrophobicContact CZ-CG2 4.01Å; F366-I403 HydrophobicContact CD2-CG2 3.71Å; F366-I403 HydrophobicContact CE2-CG2 3.82Å
367E97.8Very high97Very high59 Ų5950.2 Ų50.228%0.27624%0.243SC..Hα-helixtrans-62.7-37.9179.1-71.4172-175.300112.4R363 K364 E365 I369 A370 K371R363-E367 HydrophobicContact CG-CG 4.5Å; R363-E367 WeakPolarHBondContact CG-OE1 3.26Å; R363-E367 IonicContact CZ-OE1 3.76Å; R363-E367 IonicContact NE-OE1 3.84Å; R363-E367 PolarHBondContact NE-OE1 3.24Å; R363-E367 IonicContact NH2-OE1 2.76Å; R363-E367 WeakPolarHBondContact O-CG 3.41Å; R363-E367 PolarHBondContact O-N 2.79Å; K364-E367 PolarHBondContact O-N 2.79Å; E365-E367 PolarHBondContact O-N 3.26Å; E367-I369 VanDerWaalsContact C-N 3.31Å; E367-I369 PolarHBondContact O-N 2.98Å; E367-A370 PolarHBondContact O-N 2.82Å; E367-K371 WeakPolarHBondContact O-CB 3.06Å; E367-K371 PolarHBondContact O-N 2.57Å
368E98Very high96.7Very high106 Ų10650.2 Ų50.250%0.49524%0.244SC..Hα-helixtrans-63.6-34.3175.2-75.4173.1178.900112.7F339 K364 E365 F366 P372F339-E368 WeakPolarHBondContact CE1-O 3.15Å; K364-E368 WeakPolarHBondContact CE-OE1 3.32Å; K364-E368 WeakPolarHBondContact O-CG 3.48Å; K364-E368 PolarHBondContact O-N 3Å; E365-E368 PolarHBondContact O-N 3.44Å; F366-E368 VanDerWaalsContact C-N 3.33Å; F366-E368 PolarHBondContact O-N 2.86Å; E368-P372 WeakPolarHBondContact O-CD 3.38Å; E368-P372 WeakPolarHBondContact O-CG 3.48Å
369I98.3Very high96.7Very high7 Ų750.1 Ų50.14%0.03624%0.244CC..Hα-helixtrans-77.8-47174.3-63.9158.4000111F339 I358 E365 F366 E367 P372 L373 I403F339-I369 HydrophobicContact CB-CG1 3.91Å; F339-I369 HydrophobicContact CD1-CG1 4.13Å; F339-I369 HydrophobicContact CD2-CB 4.27Å; F339-I369 HydrophobicContact CD2-CG1 4.12Å; F339-I369 HydrophobicContact CD2-CG2 3.88Å; F339-I369 HydrophobicContact CE2-CB 4.43Å; F339-I369 HydrophobicContact CE2-CG2 4.02Å; F339-I369 HydrophobicContact CG-CB 4.36Å; F339-I369 HydrophobicContact CG-CG1 3.79Å; F339-I369 HydrophobicContact CG-CG2 4.41Å; I358-I369 HydrophobicContact CG2-CD1 3.58Å; I358-I369 HydrophobicContact CG2-CG1 4.03Å; I358-I369 HydrophobicContact CG2-CG2 4.35Å; E365-I369 WeakPolarHBondContact O-CD1 3.32Å; E365-I369 VanDerWaalsContact O-CG1 3.3Å; E365-I369 WeakPolarHBondContact O-CG1 3.41Å; E365-I369 PolarHBondContact O-N 2.94Å; E365-I369 VanDerWaalsContact O-N 3.11Å; F366-I369 PolarHBondContact O-N 2.77Å; E367-I369 VanDerWaalsContact C-N 3.31Å; E367-I369 PolarHBondContact O-N 2.98Å; I369-P372 WeakPolarHBondContact O-CD 3.48Å; I369-L373 HydrophobicContact CG2-CD1 4Å; I369-L373 WeakPolarHBondContact O-CD1 3.4Å; I369-L373 WeakPolarHBondContact O-CG 3.33Å; I369-I403 HydrophobicContact CD1-CG2 4.34Å; I369-I403 HydrophobicContact CG2-CG1 3.72Å; I369-I403 HydrophobicContact CG2-CG2 4.11Å
370A97.9Very high96.5Very high0 Ų050.4 Ų50.40%024%0.242CC..Hα-helixtrans-69.5-40.7-170.900000112.3F366 E367 L373 G374 I375 L377F366-A370 HydrophobicContact CD1-CB 4.14Å; F366-A370 HydrophobicContact CE1-CB 3.83Å; F366-A370 HydrophobicContact CZ-CB 4.23Å; F366-A370 WeakPolarHBondContact O-CB 3.37Å; F366-A370 PolarHBondContact O-N 2.84Å; E367-A370 PolarHBondContact O-N 2.82Å; A370-L373 PolarHBondContact O-N 3.36Å; A370-G374 PolarHBondContact O-N 3.16Å; A370-I375 HydrophobicContact CB-CB 3.8Å; A370-I375 HydrophobicContact CB-CG2 4.06Å; A370-I375 PolarHBondContact O-N 2.87Å; A370-L377 HydrophobicContact CB-CD2 3.48Å; A370-L377 VanDerWaalsContact CB-CD2 3.48Å
371K96.3Very high96.4Very high158 Ų15850.7 Ų50.769%0.68725%0.246SC*.Hα-helixtrans-61.7-48.3-174.3-179.6-180-176.81790113.3E367 L373 G374 L377E367-K371 WeakPolarHBondContact O-CB 3.06Å; E367-K371 PolarHBondContact O-N 2.57Å; K371-L373 VanDerWaalsContact C-N 3.28Å; K371-L373 PolarHBondContact O-N 2.98Å; K371-G374 PolarHBondContact O-N 3.26Å; K371-L377 HydrophobicContact CB-CD1 4.34Å; K371-L377 HydrophobicContact CB-CD2 4.01Å
372P95.5Very high96.4Very high69 Ų6943.6 Ų43.645%0.44822%0.215SC..Hα-helixtrans-71.7-21.5178.5-18.633.6000113.8F339 M343 E368 I369F339-P372 HydrophobicContact CE1-CG 4.02Å; F339-P372 HydrophobicContact CZ-CB 4Å; F339-P372 HydrophobicContact CZ-CG 3.81Å; M343-P372 HydrophobicContact CE-CB 4Å; E368-P372 WeakPolarHBondContact O-CD 3.38Å; E368-P372 WeakPolarHBondContact O-CG 3.48Å; I369-P372 WeakPolarHBondContact O-CD 3.48Å
373L95.4Very high96.5Very high14 Ų1440.9 Ų40.97%0.07320%0.198CC..Hα-helixtrans-82.6-18.8173.6-62.5177.3000112.1L217 F339 Y342 M343 I369 A370 K371 I375 L401 I403L217-L373 WeakPolarHBondContact CD2-O 3.13Å; F339-L373 HydrophobicContact CE2-CD1 4.23Å; F339-L373 HydrophobicContact CE2-CD2 4.41Å; F339-L373 HydrophobicContact CE2-CG 4.14Å; Y342-L373 HydrophobicContact CE1-CD2 4.03Å; M343-L373 HydrophobicContact SD-CD2 4.41Å; I369-L373 HydrophobicContact CG2-CD1 4Å; I369-L373 WeakPolarHBondContact O-CD1 3.4Å; I369-L373 WeakPolarHBondContact O-CG 3.33Å; A370-L373 PolarHBondContact O-N 3.36Å; K371-L373 VanDerWaalsContact C-N 3.28Å; K371-L373 PolarHBondContact O-N 2.98Å; L373-I375 HydrophobicContact CB-CD1 3.96Å; L373-I375 HydrophobicContact CB-CG1 3.94Å; L373-I375 HydrophobicContact CD1-CD1 3.82Å; L373-L401 HydrophobicContact CD1-CD2 3.62Å; L373-I403 HydrophobicContact CD1-CD1 4.49Å
374G94.2Very high96.6Very high18 Ų1837.1 Ų37.119%0.18618%0.184CC..THydrogen-bonded Turntrans77.527-175.200000113.3R214 A370 K371R214-G374 PolarHBondContact NH1-O 2.88Å; A370-G374 PolarHBondContact O-N 3.16Å; K371-G374 PolarHBondContact O-N 3.26Å
375I96.1Very high96.5Very high3 Ų331.4 Ų31.42%0.01516%0.159CC..  trans-78.4146.9171.3-61.5172.5000108.6L217 F366 A370 L373 L377 V392 V394 I403L217-I375 HydrophobicContact CD1-CG1 4.07Å; L217-I375 HydrophobicContact CD2-CG1 4.22Å; F366-I375 HydrophobicContact CZ-CG2 4.37Å; A370-I375 HydrophobicContact CB-CB 3.8Å; A370-I375 HydrophobicContact CB-CG2 4.06Å; A370-I375 PolarHBondContact O-N 2.87Å; L373-I375 HydrophobicContact CB-CD1 3.96Å; L373-I375 HydrophobicContact CB-CG1 3.94Å; L373-I375 HydrophobicContact CD1-CD1 3.82Å; I375-L377 WeakPolarHBondContact O-CD2 3.38Å; I375-L377 PolarHBondContact O-N 3.22Å; I375-V392 HydrophobicContact CG2-CG1 4.29Å; I375-V394 HydrophobicContact CD1-CG1 3.85Å; I375-V394 HydrophobicContact CD1-CG2 4.04Å; I375-V394 HydrophobicContact CG1-CG1 4.05Å; I375-I403 HydrophobicContact CD1-CD1 3.67Å; I375-I403 HydrophobicContact CD1-CG1 4.3Å
376M95Very high96.6Very high2 Ų228.4 Ų28.41%0.0115%0.145CC..  trans-63.7132.7175.7-64.2-166.576.100111.3D211 N212 Y292 H296 R385D211-M376 HydrophobicContact CB-SD 4Å; D211-M376 VanDerWaalsContact O-SD 3.39Å; N212-M376 PolarHBondContact OD1-N 3.02Å; Y292-M376 HydrophobicContact CD1-CE 4.16Å; Y292-M376 HydrophobicContact CG-CE 4.42Å; H296-M376 HydrophobicContact CB-CE 4.16Å; H296-M376 HydrophobicContact CB-SD 4.37Å; H296-M376 WeakPolarHBondContact CD2-CG 3.36Å; M376-R385 HydrophobicContact CB-CB 4.2Å; M376-R385 HydrophobicContact CB-CG 3.94Å; M376-R385 VanDerWaalsContact CE-CZ 3.46Å; M376-R385 VanDerWaalsContact CE-NE 3.29Å; M376-R385 WeakPolarHBondContact SD-CD 3.38Å
377L95.3Very high96.6Very high62 Ų6228.4 Ų28.433%0.32514%0.144SC..  trans-91.2-18.2-168.6-54.1-177.1000113.7A370 K371 I375 F379A370-L377 HydrophobicContact CB-CD2 3.48Å; A370-L377 VanDerWaalsContact CB-CD2 3.48Å; K371-L377 HydrophobicContact CB-CD1 4.34Å; K371-L377 HydrophobicContact CB-CD2 4.01Å; I375-L377 WeakPolarHBondContact O-CD2 3.38Å; I375-L377 PolarHBondContact O-N 3.22Å; L377-F379 WeakPolarHBondContact O-CD2 3.45Å
378D92.6Very high96.6Very high21 Ų2125.7 Ų25.711%0.11213%0.132CC..  trans-77.2148.8-170.662.2-58000112.7R385D378-R385 VanDerWaalsContact CG-NE 3.31Å; D378-R385 IonicContact OD1-CZ 2.64Å; D378-R385 IonicContact OD1-NE 3.9Å; D378-R385 PolarHBondContact OD1-NE 3.46Å; D378-R385 IonicContact OD1-NH2 2.74Å; D378-R385 IonicContact OD2-CZ 3.06Å; D378-R385 VanDerWaalsContact OD2-CZ 3.29Å; D378-R385 IonicContact OD2-NE 3.15Å; D378-R385 PolarHBondContact OD2-NE 3.07Å; D378-R385 VanDerWaalsContact OD2-NE 3.07Å; D378-R385 IonicContact OD2-NH2 2.79Å; D378-R385 PolarHBondContact OD2-NH2 3.37Å
379F96.8Very high96.6Very high0 Ų021.5 Ų21.50%011%0.112CC..EExtended strand (participates in β ladder)trans-118.6150.2175.8-72.8-94.4000109.3R363 F366 L377 G382 V383 W416 V417R363-F379 HydrophobicContact CG-CD2 4.22Å; R363-F379 HydrophobicContact CG-CE2 3.97Å; F366-F379 HydrophobicContact CB-CE2 4.49Å; F366-F379 HydrophobicContact CB-CZ 3.99Å; F366-F379 AromaticContact CD1-CE2 3.48Å; F366-F379 HydrophobicContact CD1-CE2 3.48Å; F366-F379 VanDerWaalsContact CD1-CE2 3.48Å; F366-F379 AromaticContact CD1-CZ 3.34Å; F366-F379 HydrophobicContact CD1-CZ 3.34Å; F366-F379 HydrophobicContact CD2-CZ 4.23Å; F366-F379 AromaticContact CE1-CE2 3.95Å; F366-F379 HydrophobicContact CE1-CE2 3.95Å; F366-F379 AromaticContact CE1-CZ 3.81Å; F366-F379 HydrophobicContact CE1-CZ 3.81Å; F366-F379 HydrophobicContact CG-CE2 4.14Å; F366-F379 AromaticContact CG-CZ 3.58Å; F366-F379 HydrophobicContact CG-CZ 3.58Å; F366-F379 HydrophobicContact CZ-CZ 4.43Å; L377-F379 WeakPolarHBondContact O-CD2 3.45Å; F379-G382 WeakPolarHBondContact CD1-O 3.32Å; F379-V383 CarbonylContact C-O 3.58Å; F379-V383 WeakPolarHBondContact CA-O 3.39Å; F379-W416 HydrophobicContact CB-CB 3.99Å; F379-W416 WeakPolarHBondContact CB-O 3.33Å; F379-W416 HydrophobicContact CD1-CB 4.33Å; F379-W416 AromaticContact CD1-CE3 3.85Å; F379-W416 HydrophobicContact CD1-CE3 3.85Å; F379-W416 AromaticContact CE1-CE3 3.53Å; F379-W416 HydrophobicContact CE1-CE3 3.53Å; F379-W416 AromaticContact CE1-CZ3 3.91Å; F379-W416 HydrophobicContact CE1-CZ3 3.91Å; F379-W416 HydrophobicContact CG-CB 4.07Å; F379-W416 HydrophobicContact CG-CE3 4.45Å; F379-W416 AromaticContact CZ-CE3 3.9Å; F379-W416 HydrophobicContact CZ-CE3 3.9Å; F379-W416 HydrophobicContact CZ-CZ3 4.14Å; F379-V417 CarbonylContact O-C 3.52Å; F379-V417 WeakPolarHBondContact O-CA 3.31Å
380K95.9Very high96.6Very high38 Ų3821.1 Ų21.117%0.16511%0.111CC..EExtended strand (participates in β ladder)trans-132.7111.8172.2-60.8-66.5177.1179.10108.7F231 E258 R261 G382 V383F231-K380 HydrophobicContact CE2-CB 3.87Å; F231-K380 HydrophobicContact CE2-CG 3.61Å; F231-K380 HydrophobicContact CZ-CG 4.07Å; E258-K380 VanDerWaalsContact CD-NZ 3.34Å; E258-K380 WeakPolarHBondContact OE1-CE 3.4Å; E258-K380 IonicContact OE1-NZ 3.67Å; E258-K380 PolarHBondContact OE1-NZ 3.38Å; E258-K380 WeakPolarHBondContact OE2-CD 3.39Å; E258-K380 WeakPolarHBondContact OE2-CE 3.16Å; E258-K380 IonicContact OE2-NZ 3.66Å; E258-K380 PolarHBondContact OE2-NZ 3.19Å; R261-K380 HydrophobicContact CB-CB 3.91Å; R261-K380 HydrophobicContact CB-CG 4.49Å; R261-K380 HydrophobicContact CG-CB 4.5Å; K380-G382 PolarHBondContact O-N 2.88Å; K380-V383 PolarHBondContact N-O 3.25Å; K380-V383 WeakPolarHBondContact O-CB 3.26Å; K380-V383 PolarHBondContact O-N 3.29Å
381C95.8Very high96.6Very high15 Ų1521.2 Ų21.210%0.10111%0.111CC..THydrogen-bonded Turntrans49.846.6-172.8-65.70000111.9V383C381-V383 VanDerWaalsContact C-N 3.28Å; C381-V383 PolarHBondContact O-N 3.45Å
382G97.1Very high96.7Very high1 Ų113.7 Ų13.71%0.018%0.078CC..THydrogen-bonded Turntrans84-12.2-178.800000116F379 K380 Y412 N413 W416F379-G382 WeakPolarHBondContact CD1-O 3.32Å; K380-G382 PolarHBondContact O-N 2.88Å; G382-Y412 WeakPolarHBondContact O-CD1 3.39Å; G382-N413 WeakPolarHBondContact CA-O 3.38Å; G382-N413 PolarHBondContact N-O 3.2Å; G382-W416 PolarHBondContact N-O 3.27Å
383V98.2Very high96.8Very high2 Ų210.7 Ų10.71%0.0126%0.059CC..EExtended strand (participates in β ladder)trans-95.8117.8-175-167.60000110.3D230 F231 F379 K380 C381 A387 Y412D230-V383 HydrophobicContact CB-CG1 3.89Å; F231-V383 HydrophobicContact CB-CG1 3.92Å; F231-V383 HydrophobicContact CD2-CB 4.42Å; F231-V383 HydrophobicContact CD2-CG1 4.24Å; F231-V383 WeakPolarHBondContact CD2-O 3.29Å; F379-V383 CarbonylContact C-O 3.58Å; F379-V383 WeakPolarHBondContact CA-O 3.39Å; K380-V383 PolarHBondContact N-O 3.25Å; K380-V383 WeakPolarHBondContact O-CB 3.26Å; K380-V383 PolarHBondContact O-N 3.29Å; C381-V383 VanDerWaalsContact C-N 3.28Å; C381-V383 PolarHBondContact O-N 3.45Å; V383-A387 HydrophobicContact CG1-CB 4.2Å; V383-Y412 HydrophobicContact CB-CD1 4.45Å; V383-Y412 HydrophobicContact CB-CE1 4.15Å; V383-Y412 HydrophobicContact CG1-CE1 4.1Å; V383-Y412 HydrophobicContact CG2-CD1 3.96Å; V383-Y412 HydrophobicContact CG2-CD2 3.88Å; V383-Y412 HydrophobicContact CG2-CE1 3.92Å; V383-Y412 HydrophobicContact CG2-CE2 3.88Å; V383-Y412 HydrophobicContact CG2-CG 3.9Å
384S97.8Very high97Very high0 Ų010 Ų100%06%0.055CC..EExtended strand (participates in β ladder)trans-79.2162.117056.40000111.3N386 A387 V392S384-N386 PolarHBondContact O-N 3.3Å; S384-A387 WeakPolarHBondContact O-CB 3.31Å; S384-A387 PolarHBondContact O-N 3.35Å; S384-A387 VanDerWaalsContact O-N 3.12Å; S384-A387 WeakPolarHBondContact OG-CB 3.24Å; S384-V392 WeakPolarHBondContact OG-CG2 3.49Å
385R97.1Very high97.1Very high20 Ų2010.1 Ų10.18%0.0755%0.051CC..THydrogen-bonded Turntrans-59.2138.1179.6-55.1-152.5-177.5-126.3-4.2111.6D211 N212 F231 M376 D378 A387D211-R385 HydrophobicContact CB-CB 3.73Å; D211-R385 HydrophobicContact CB-CG 4.3Å; D211-R385 WeakPolarHBondContact OD1-CD 3.44Å; D211-R385 IonicContact OD1-CZ 2.74Å; D211-R385 IonicContact OD1-NH1 3.29Å; D211-R385 PolarHBondContact OD1-NH1 2.84Å; N212-R385 PolarHBondContact ND2-O 3.34Å; F231-R385 HydrophobicContact CE1-CG 4.12Å; F231-R385 HydrophobicContact CE2-CG 4.12Å; F231-R385 HydrophobicContact CZ-CG 3.91Å; M376-R385 HydrophobicContact CB-CB 4.2Å; M376-R385 HydrophobicContact CB-CG 3.94Å; M376-R385 VanDerWaalsContact CE-CZ 3.46Å; M376-R385 VanDerWaalsContact CE-NE 3.29Å; M376-R385 WeakPolarHBondContact SD-CD 3.38Å; D378-R385 VanDerWaalsContact CG-NE 3.31Å; D378-R385 IonicContact OD1-CZ 2.64Å; D378-R385 IonicContact OD1-NE 3.9Å; D378-R385 PolarHBondContact OD1-NE 3.46Å; D378-R385 IonicContact OD1-NH2 2.74Å; D378-R385 IonicContact OD2-CZ 3.06Å; D378-R385 VanDerWaalsContact OD2-CZ 3.29Å; D378-R385 IonicContact OD2-NE 3.15Å; D378-R385 PolarHBondContact OD2-NE 3.07Å; D378-R385 VanDerWaalsContact OD2-NE 3.07Å; D378-R385 IonicContact OD2-NH2 2.79Å; D378-R385 PolarHBondContact OD2-NH2 3.37Å; R385-A387 PolarHBondContact O-N 2.95Å
386N98.3Very high97.1Very high1 Ų110.4 Ų10.41%0.0055%0.053CC..THydrogen-bonded Turntrans65.4-0.8-175.4-82.5-132.6000116.4N210 D211 R273 S384 V392N210-N386 PolarHBondContact OD1-ND2 2.8Å; N210-N386 PolarHBondContact OD1-OD1 3.36Å; D211-N386 WeakPolarHBondContact CB-ND2 3.41Å; D211-N386 PolarHBondContact N-ND2 3.48Å; D211-N386 PolarHBondContact OD2-ND2 2.93Å; R273-N386 WeakPolarHBondContact CD-OD1 3.35Å; R273-N386 VanDerWaalsContact NE-CG 3.34Å; R273-N386 PolarHBondContact NE-OD1 2.77Å; R273-N386 PolarHBondContact NH1-OD1 3.2Å; R273-N386 VanDerWaalsContact NH1-OD1 3.14Å; R273-N386 PolarHBondContact NH2-O 3.36Å; S384-N386 PolarHBondContact O-N 3.3Å; N386-V392 HydrophobicContact CB-CG1 4.43Å
387A98.5Very high96.9Very high0 Ų014.6 Ų14.60%08%0.075CC..  trans-68.6139-174.500000112.1T229 D230 V383 S384 R385 V391 V392T229-A387 CarbonylContact C-O 3.55Å; T229-A387 WeakPolarHBondContact CA-O 3.2Å; D230-A387 PolarHBondContact N-O 2.96Å; V383-A387 HydrophobicContact CG1-CB 4.2Å; S384-A387 WeakPolarHBondContact O-CB 3.31Å; S384-A387 PolarHBondContact O-N 3.35Å; S384-A387 VanDerWaalsContact O-N 3.12Å; S384-A387 WeakPolarHBondContact OG-CB 3.24Å; R385-A387 PolarHBondContact O-N 2.95Å; A387-V391 VanDerWaalsContact CA-O 3.28Å; A387-V391 WeakPolarHBondContact CA-O 3.21Å; A387-V392 HydrophobicContact CB-CG2 3.95Å
388Y98.6Very high96.7Very high3 Ų312 Ų121%0.0126%0.063CC..BIsolated β-bridgetrans-127.5125.1161.7174.3-101.2000107.9R228 A270 E319 Y322 F326 G390 V391R228-Y388 HydrophobicContact CB-CD2 3.71Å; R228-Y388 HydrophobicContact CB-CE2 3.92Å; R228-Y388 HydrophobicContact CB-CG 4.18Å; R228-Y388 WeakPolarHBondContact O-CB 3.37Å; A270-Y388 HydrophobicContact CB-CD2 4.43Å; A270-Y388 HydrophobicContact CB-CE2 4.45Å; E319-Y388 PolarHBondContact OE1-OH 3.42Å; E319-Y388 PolarHBondContact OE2-OH 2.92Å; Y322-Y388 HydrophobicContact CD1-CD1 4.1Å; Y322-Y388 AromaticContact CD1-CE1 3.58Å; Y322-Y388 HydrophobicContact CD1-CE1 3.58Å; Y322-Y388 AromaticContact CD1-CZ 3.84Å; Y322-Y388 AromaticContact CE1-CD1 3.67Å; Y322-Y388 HydrophobicContact CE1-CD1 3.67Å; Y322-Y388 AromaticContact CE1-CE1 3.67Å; Y322-Y388 HydrophobicContact CE1-CE1 3.67Å; Y322-Y388 HydrophobicContact CE1-CG 4.2Å; F326-Y388 AromaticContact CD1-CD1 3.68Å; F326-Y388 HydrophobicContact CD1-CD1 3.68Å; F326-Y388 HydrophobicContact CD1-CE1 4.11Å; F326-Y388 AromaticContact CE1-CD1 3.86Å; F326-Y388 HydrophobicContact CE1-CD1 3.86Å; F326-Y388 HydrophobicContact CG-CD1 4.39Å; Y388-G390 PolarHBondContact O-N 3.4Å; Y388-V391 PolarHBondContact N-O 3.23Å; Y388-V391 VanDerWaalsContact N-O 3.08Å; Y388-V391 PolarHBondContact O-N 2.85Å
389M97.3Very high96.8Very high17 Ų1711 Ų118%0.0846%0.058CC..THydrogen-bonded Turntrans53.436.6-172-56.6-175.856.200113.4D230 R323 K327 V391 W409 Y412D230-M389 PolarHBondContact OD2-N 3.41Å; R323-M389 HydrophobicContact CG-SD 3.94Å; R323-M389 PolarHBondContact NH1-SD 2.97Å; R323-M389 VanDerWaalsContact NH1-SD 3.39Å; K327-M389 HydrophobicContact CD-CE 4.43Å; K327-M389 HydrophobicContact CG-CE 4.41Å; M389-V391 PolarHBondContact O-N 2.79Å; M389-W409 HydrophobicContact CB-CE3 4.44Å; M389-W409 HydrophobicContact CB-CH2 4.24Å; M389-W409 HydrophobicContact CB-CZ3 3.91Å; M389-W409 HydrophobicContact CE-CE3 4.41Å; M389-W409 HydrophobicContact CE-CZ3 4.18Å; M389-W409 HydrophobicContact CG-CZ3 4.4Å; M389-Y412 PolarHBondContact N-OH 3.06Å
390G98.1Very high96.8Very high0 Ų012.2 Ų12.20%06%0.062CC..THydrogen-bonded Turntrans74.8-6.5-175.500000115.5Y360 Y388 Y412Y360-G390 PolarHBondContact OH-O 3.05Å; Y388-G390 PolarHBondContact O-N 3.4Å; G390-Y412 PolarHBondContact N-OH 2.99Å
391V98.7Very high97Very high2 Ų210.4 Ų10.41%0.0125%0.054CC..BIsolated β-bridgetrans-87.2125.2-179.4-174.60000110.4F326 V330 A387 Y388 M389 P393 Y402 I403 A404F326-V391 HydrophobicContact CE1-CB 3.73Å; F326-V391 HydrophobicContact CE1-CG1 4.04Å; F326-V391 HydrophobicContact CE1-CG2 4.03Å; F326-V391 HydrophobicContact CZ-CB 3.98Å; F326-V391 HydrophobicContact CZ-CG1 3.87Å; V330-V391 HydrophobicContact CG1-CG1 4.2Å; V330-V391 HydrophobicContact CG1-CG2 4.13Å; V330-V391 HydrophobicContact CG2-CG1 3.98Å; A387-V391 VanDerWaalsContact CA-O 3.28Å; A387-V391 WeakPolarHBondContact CA-O 3.21Å; Y388-V391 PolarHBondContact N-O 3.23Å; Y388-V391 VanDerWaalsContact N-O 3.08Å; Y388-V391 PolarHBondContact O-N 2.85Å; M389-V391 PolarHBondContact O-N 2.79Å; V391-P393 WeakPolarHBondContact O-CD 3.19Å; V391-Y402 HydrophobicContact CG1-CD1 3.82Å; V391-Y402 HydrophobicContact CG1-CG 4.32Å; V391-I403 CarbonylContact C-O 3.58Å; V391-I403 WeakPolarHBondContact CA-O 3.18Å; V391-A404 HydrophobicContact CB-CB 4.46Å; V391-A404 HydrophobicContact CG1-CB 4.14Å; V391-A404 HydrophobicContact CG2-CB 3.89Å
392V98.7Very high97.1Very high0 Ų010.1 Ų10.10%05%0.051CC..EExtended strand (participates in β ladder)trans-103.6106.3172.1-177.70000109.1F366 I375 S384 N386 A387 V394 I403F366-V392 HydrophobicContact CE2-CB 4.38Å; F366-V392 HydrophobicContact CE2-CG2 3.77Å; F366-V392 HydrophobicContact CZ-CG2 4.01Å; I375-V392 HydrophobicContact CG2-CG1 4.29Å; S384-V392 WeakPolarHBondContact OG-CG2 3.49Å; N386-V392 HydrophobicContact CB-CG1 4.43Å; A387-V392 HydrophobicContact CB-CG2 3.95Å; V392-V394 HydrophobicContact CG1-CG1 4.3Å; V392-I403 HydrophobicContact CB-CB 4.43Å; V392-I403 PolarHBondContact N-O 3.29Å; V392-I403 WeakPolarHBondContact O-CD1 3.33Å; V392-I403 PolarHBondContact O-N 2.73Å
393P98.4Very high97.2Very high5 Ų510.1 Ų10.13%0.0325%0.051CC..EExtended strand (participates in β ladder)trans-82134.1174.132.9-33.8000111Y227 V391 L401 Y402Y227-P393 HydrophobicContact CD1-CG 3.98Å; Y227-P393 HydrophobicContact CE1-CB 4.16Å; Y227-P393 HydrophobicContact CE1-CG 3.9Å; V391-P393 WeakPolarHBondContact O-CD 3.19Å; P393-L401 WeakPolarHBondContact CA-O 3.2Å; P393-Y402 HydrophobicContact CB-CD1 3.8Å; P393-Y402 HydrophobicContact CB-CE1 3.71Å
394V98.2Very high97.2Very high1 Ų110 Ų101%0.0065%0.05CC..EExtended strand (participates in β ladder)trans-139.6156.6171.1-62.90000110.2L217 I375 V392 V396 R400 L401 I403L217-V394 HydrophobicContact CB-CB 4.43Å; L217-V394 HydrophobicContact CB-CG1 4.49Å; L217-V394 HydrophobicContact CD2-CB 4.25Å; L217-V394 HydrophobicContact CD2-CG1 4.41Å; I375-V394 HydrophobicContact CD1-CG1 3.85Å; I375-V394 HydrophobicContact CD1-CG2 4.04Å; I375-V394 HydrophobicContact CG1-CG1 4.05Å; V392-V394 HydrophobicContact CG1-CG1 4.3Å; V394-V396 HydrophobicContact CB-CG2 4.44Å; V394-V396 HydrophobicContact CG2-CG2 3.87Å; V394-R400 WeakPolarHBondContact O-CD 3.29Å; V394-L401 HydrophobicContact CG2-CB 3.88Å; V394-L401 HydrophobicContact CG2-CD2 4.21Å; V394-L401 HydrophobicContact CG2-CG 4.45Å; V394-L401 PolarHBondContact N-O 3.46Å; V394-L401 PolarHBondContact O-N 3.07Å; V394-I403 HydrophobicContact CG2-CD1 3.7Å
395F97.3Very high97.2Very high19 Ų1910.2 Ų10.28%0.0835%0.051CC..EExtended strand (participates in β ladder)trans-113.1115.9176.2-169.2-99.7000109.8Q216 L217 I218 D219 G398 H399 R400Q216-F395 CarbonylContact C-O 3.57Å; Q216-F395 VanDerWaalsContact O-O 3.08Å; L217-F395 CarbonylContact C-O 3.6Å; L217-F395 WeakPolarHBondContact CA-O 3.4Å; L217-F395 PolarHBondContact O-N 2.76Å; I218-F395 PolarHBondContact N-O 3.28Å; D219-F395 HydrophobicContact CB-CB 4.03Å; D219-F395 HydrophobicContact CB-CD1 3.85Å; D219-F395 HydrophobicContact CB-CD2 3.88Å; D219-F395 HydrophobicContact CB-CE1 4.18Å; D219-F395 HydrophobicContact CB-CE2 4.21Å; D219-F395 HydrophobicContact CB-CG 3.67Å; D219-F395 HydrophobicContact CB-CZ 4.34Å; F395-G398 VanDerWaalsContact CE1-CA 3.48Å; F395-G398 VanDerWaalsContact CZ-CA 3.44Å; F395-G398 WeakPolarHBondContact CZ-O 3.45Å; F395-H399 WeakPolarHBondContact CA-O 3.4Å; F395-H399 VanDerWaalsContact CD2-C 3.45Å; F395-H399 WeakPolarHBondContact CD2-O 3.41Å; F395-R400 HydrophobicContact CD2-CB 4.47Å
396V94.9Very high97.2Very high10 Ų1010.6 Ų10.66%0.0616%0.057CC..EExtended strand (participates in β ladder)trans-130.6132.6-172.2-177.40000108.2L217 Y342 V394 G398 H399L217-V396 HydrophobicContact CD2-CG2 3.87Å; Y342-V396 WeakPolarHBondContact OH-CB 3.21Å; Y342-V396 WeakPolarHBondContact OH-CG1 3.33Å; V394-V396 HydrophobicContact CB-CG2 4.44Å; V394-V396 HydrophobicContact CG2-CG2 3.87Å; V396-G398 PolarHBondContact O-N 2.64Å; V396-G398 VanDerWaalsContact O-N 3.08Å; V396-H399 PolarHBondContact N-O 2.92Å; V396-H399 PolarHBondContact O-CE1 3.34Å; V396-H399 PolarHBondContact O-N 3.26Å; V396-H399 VanDerWaalsContact O-N 3.15Å; V396-H399 PolarHBondContact O-ND1 3.49Å; V396-H399 PolarHBondContact O-NE2 3.1Å
397N91Very high97Very high90 Ų9015.2 Ų15.248%0.4819%0.089SC..THydrogen-bonded Turntrans48.739.3177.3-61.8-15.9000113.9R346 H399R346-N397 PolarHBondContact O-ND2 2.84Å; N397-H399 PolarHBondContact O-ND1 2.9Å; N397-H399 VanDerWaalsContact O-ND1 3.08Å
398G92.3Very high96.8Very high6 Ų621.6 Ų21.66%0.06212%0.123CC..THydrogen-bonded Turntrans83.910.9174.400000116.3N352 F395 V396N352-G398 PolarHBondContact N-O 3.27Å; F395-G398 VanDerWaalsContact CE1-CA 3.48Å; F395-G398 VanDerWaalsContact CZ-CA 3.44Å; F395-G398 WeakPolarHBondContact CZ-O 3.45Å; V396-G398 PolarHBondContact O-N 2.64Å; V396-G398 VanDerWaalsContact O-N 3.08Å
399H94.5Very high96.6Very high2 Ų225 Ų251%0.00914%0.136CC..EExtended strand (participates in β ladder)trans-143.3157.3177.552.7-86.9000111.7Y342 S353 F395 V396 N397Y342-H399 AromaticContact CE2-NE2 3.29Å; Y342-H399 VanDerWaalsContact CE2-NE2 3.29Å; Y342-H399 WeakPolarHBondContact CE2-NE2 3.48Å; Y342-H399 AromaticContact CZ-NE2 3.71Å; Y342-H399 PolarHBondContact OH-NE2 2.79Å; S353-H399 WeakPolarHBondContact OG-CB 3.2Å; F395-H399 WeakPolarHBondContact CA-O 3.4Å; F395-H399 VanDerWaalsContact CD2-C 3.45Å; F395-H399 WeakPolarHBondContact CD2-O 3.41Å; V396-H399 PolarHBondContact N-O 2.92Å; V396-H399 PolarHBondContact O-CE1 3.34Å; V396-H399 PolarHBondContact O-N 3.26Å; V396-H399 VanDerWaalsContact O-N 3.15Å; V396-H399 PolarHBondContact O-ND1 3.49Å; V396-H399 PolarHBondContact O-NE2 3.1Å; N397-H399 PolarHBondContact O-ND1 2.9Å; N397-H399 VanDerWaalsContact O-ND1 3.08Å
400R97.3Very high96.3Very high24 Ų2430.4 Ų30.49%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-83.5128.8-178.9-174.564.157.6-173.1-3.5110.4Y227 E275 S355 I356 V394 F395 Y402Y227-R400 PolarHBondContact OH-NH1 3.38Å; Y227-R400 PolarHBondContact OH-NH2 2.67Å; E275-R400 IonicContact OE1-CZ 2.87Å; E275-R400 VanDerWaalsContact OE1-CZ 3.31Å; E275-R400 IonicContact OE1-NH1 3.82Å; E275-R400 PolarHBondContact OE1-NH1 2.9Å; E275-R400 IonicContact OE1-NH2 3.6Å; E275-R400 PolarHBondContact OE1-NH2 3.47Å; E275-R400 IonicContact OE2-NH1 2.71Å; E275-R400 PolarHBondContact OE2-NH1 2.92Å; E275-R400 IonicContact OE2-NH2 3.68Å; S355-R400 CarbonylContact C-O 3.47Å; S355-R400 VanDerWaalsContact CA-O 3.31Å; S355-R400 WeakPolarHBondContact CA-O 3.49Å; I356-R400 PolarHBondContact N-O 3.16Å; V394-R400 WeakPolarHBondContact O-CD 3.29Å; F395-R400 HydrophobicContact CD2-CB 4.47Å; R400-Y402 HydrophobicContact CG-CD2 4.31Å; R400-Y402 HydrophobicContact CG-CE1 4.06Å; R400-Y402 HydrophobicContact CG-CE2 3.64Å; R400-Y402 VanDerWaalsContact CG-CZ 3.47Å; R400-Y402 WeakPolarHBondContact CG-OH 3.29Å
401L98.1Very high96.2Very high0 Ų031.8 Ų31.80%019%0.19CC..EExtended strand (participates in β ladder)trans-112.7130.7173.2-170.265.5000109.7Y342 I356 I358 L373 P393 V394 I403Y342-L401 HydrophobicContact CD2-CD1 4.42Å; Y342-L401 HydrophobicContact CE1-CD2 4.23Å; Y342-L401 HydrophobicContact CE2-CD1 4.3Å; I356-L401 HydrophobicContact CB-CD1 3.76Å; I356-L401 HydrophobicContact CG2-CD1 3.69Å; I356-L401 CarbonylContact O-C 3.55Å; I356-L401 WeakPolarHBondContact O-CA 3.36Å; I358-L401 HydrophobicContact CD1-CD1 3.62Å; I358-L401 HydrophobicContact CD1-CD2 4.01Å; I358-L401 HydrophobicContact CD1-CG 4.25Å; I358-L401 HydrophobicContact CG1-CD1 3.69Å; L373-L401 HydrophobicContact CD1-CD2 3.62Å; P393-L401 WeakPolarHBondContact CA-O 3.2Å; V394-L401 HydrophobicContact CG2-CB 3.88Å; V394-L401 HydrophobicContact CG2-CD2 4.21Å; V394-L401 HydrophobicContact CG2-CG 4.45Å; V394-L401 PolarHBondContact N-O 3.46Å; V394-L401 PolarHBondContact O-N 3.07Å; L401-I403 HydrophobicContact CD2-CD1 3.9Å; L401-I403 HydrophobicContact CD2-CG1 4.47Å; L401-I403 HydrophobicContact CG-CD1 3.95Å
402Y98.7Very high96.1Very high10 Ų1033.7 Ų33.74%0.03920%0.197CC..EExtended strand (participates in β ladder)trans-110.3108.8172.7-64.6-70.9000109.2F326 L329 V330 S334 I356 R357 I358 V391 P393 R400 A404F326-Y402 AromaticContact CE2-CE1 3.95Å; F326-Y402 HydrophobicContact CE2-CE1 3.95Å; F326-Y402 HydrophobicContact CZ-CD1 4.47Å; F326-Y402 HydrophobicContact CZ-CE1 4.31Å; L329-Y402 WeakPolarHBondContact CD2-OH 3.16Å; L329-Y402 HydrophobicContact CG-CE2 4.1Å; L329-Y402 WeakPolarHBondContact CG-OH 3.26Å; V330-Y402 HydrophobicContact CG1-CG 4.46Å; V330-Y402 HydrophobicContact CG2-CD1 3.66Å; V330-Y402 HydrophobicContact CG2-CD2 4.2Å; V330-Y402 HydrophobicContact CG2-CE1 3.92Å; V330-Y402 HydrophobicContact CG2-CE2 4.45Å; V330-Y402 HydrophobicContact CG2-CG 3.81Å; S334-Y402 VanDerWaalsContact OG-CD2 3.31Å; S334-Y402 WeakPolarHBondContact OG-CD2 3.47Å; I356-Y402 PolarHBondContact O-N 2.76Å; R357-Y402 CarbonylContact C-O 3.57Å; R357-Y402 WeakPolarHBondContact CA-O 3.22Å; I358-Y402 PolarHBondContact N-O 2.85Å; V391-Y402 HydrophobicContact CG1-CD1 3.82Å; V391-Y402 HydrophobicContact CG1-CG 4.32Å; P393-Y402 HydrophobicContact CB-CD1 3.8Å; P393-Y402 HydrophobicContact CB-CE1 3.71Å; R400-Y402 HydrophobicContact CG-CD2 4.31Å; R400-Y402 HydrophobicContact CG-CE1 4.06Å; R400-Y402 HydrophobicContact CG-CE2 3.64Å; R400-Y402 VanDerWaalsContact CG-CZ 3.47Å; R400-Y402 WeakPolarHBondContact CG-OH 3.29Å; Y402-A404 PolarHBondContact O-N 3.19Å
403I98.7Very high96Very high0 Ų037.3 Ų37.30%022%0.217CC..EExtended strand (participates in β ladder)trans-85.9104.7170.5-59.483.6000106.1I358 Y360 F366 I369 L373 I375 V391 V392 V394 L401I358-I403 WeakPolarHBondContact O-CA 3.47Å; Y360-I403 HydrophobicContact CD1-CG2 3.56Å; Y360-I403 HydrophobicContact CE1-CG2 3.96Å; F366-I403 HydrophobicContact CD2-CG2 3.71Å; F366-I403 HydrophobicContact CE2-CG2 3.82Å; I369-I403 HydrophobicContact CD1-CG2 4.34Å; I369-I403 HydrophobicContact CG2-CG1 3.72Å; I369-I403 HydrophobicContact CG2-CG2 4.11Å; L373-I403 HydrophobicContact CD1-CD1 4.49Å; I375-I403 HydrophobicContact CD1-CD1 3.67Å; I375-I403 HydrophobicContact CD1-CG1 4.3Å; V391-I403 CarbonylContact C-O 3.58Å; V391-I403 WeakPolarHBondContact CA-O 3.18Å; V392-I403 HydrophobicContact CB-CB 4.43Å; V392-I403 PolarHBondContact N-O 3.29Å; V392-I403 WeakPolarHBondContact O-CD1 3.33Å; V392-I403 PolarHBondContact O-N 2.73Å; V394-I403 HydrophobicContact CG2-CD1 3.7Å; L401-I403 HydrophobicContact CD2-CD1 3.9Å; L401-I403 HydrophobicContact CD2-CG1 4.47Å; L401-I403 HydrophobicContact CG-CD1 3.95Å
404A98.6Very high95.9Very high0 Ų042.5 Ų42.50%024%0.24CC..EExtended strand (participates in β ladder)trans-126.8148.8-164.400000112.4V330 Y331 R357 I358 T359 Y360 V391 Y402V330-A404 HydrophobicContact CG1-CB 3.89Å; Y331-A404 HydrophobicContact CE1-CB 4.47Å; R357-A404 HydrophobicContact CG-CB 3.96Å; I358-A404 PolarHBondContact O-N 2.64Å; T359-A404 CarbonylContact C-O 3.49Å; T359-A404 VanDerWaalsContact CA-O 3.23Å; T359-A404 WeakPolarHBondContact CA-O 3.4Å; Y360-A404 VanDerWaalsContact CD1-C 3.41Å; Y360-A404 WeakPolarHBondContact CD1-O 3.42Å; Y360-A404 PolarHBondContact N-O 3.23Å; V391-A404 HydrophobicContact CB-CB 4.46Å; V391-A404 HydrophobicContact CG1-CB 4.14Å; V391-A404 HydrophobicContact CG2-CB 3.89Å; Y402-A404 PolarHBondContact O-N 3.19Å
405P98.3Very high95.7Very high4 Ų446.4 Ų46.43%0.02627%0.268CS..  trans-67.3172.9164.532.5-35.6000110.8Y331 Y360 W409Y331-P405 WeakPolarHBondContact CE1-O 3.36Å; Y331-P405 PolarHBondContact OH-O 3.29Å; Y331-P405 VanDerWaalsContact OH-O 3.13Å; Y360-P405 WeakPolarHBondContact O-CA 3.26Å; P405-W409 HydrophobicContact CB-CB 3.93Å; P405-W409 HydrophobicContact CB-CG 3.77Å; P405-W409 HydrophobicContact CG-CB 3.82Å; P405-W409 VanDerWaalsContact CG-CD1 3.49Å; P405-W409 HydrophobicContact CG-CD2 4.17Å; P405-W409 HydrophobicContact CG-CG 3.55Å
406P97.3Very high95.6Very high29 Ų2947.7 Ų47.719%0.18827%0.272CS..  trans-60.7157173.1-24.737.5000112.3T359 Y360 K361 N408 W409T359-P406 HydrophobicContact CG2-CB 4.44Å; T359-P406 HydrophobicContact CG2-CG 4.01Å; Y360-P406 WeakPolarHBondContact O-CD 3.33Å; K361-P406 HydrophobicContact CG-CG 3.83Å; P406-N408 VanDerWaalsContact CB-OD1 3.23Å; P406-N408 WeakPolarHBondContact CB-OD1 3.45Å; P406-N408 PolarHBondContact O-N 3.01Å; P406-N408 VanDerWaalsContact O-N 3.13Å; P406-W409 WeakPolarHBondContact O-CB 3.36Å; P406-W409 PolarHBondContact O-N 3.35Å
407S94.4Very high95.3Very high98 Ų9852 Ų5269%0.68530%0.298SS*.THydrogen-bonded Turntrans-60.6-24.918055.40000114W409S407-W409 PolarHBondContact O-N 3.38Å
408N94Very high95.5Very high134 Ų13450.1 Ų50.172%0.71729%0.289SS*.THydrogen-bonded Turntrans-87.120.4173.670.2-20.3000113.7P406 S410P406-N408 VanDerWaalsContact CB-OD1 3.23Å; P406-N408 WeakPolarHBondContact CB-OD1 3.45Å; P406-N408 PolarHBondContact O-N 3.01Å; P406-N408 VanDerWaalsContact O-N 3.13Å; N408-S410 PolarHBondContact O-N 3.04Å
409W93.2Very high95.6Very high75 Ų7552.4 Ų52.428%0.28430%0.301SS..  trans-54.3128.8175.4-179.978.4000112M389 P405 P406 S407 G411 Y412M389-W409 HydrophobicContact CB-CE3 4.44Å; M389-W409 HydrophobicContact CB-CH2 4.24Å; M389-W409 HydrophobicContact CB-CZ3 3.91Å; M389-W409 HydrophobicContact CE-CE3 4.41Å; M389-W409 HydrophobicContact CE-CZ3 4.18Å; M389-W409 HydrophobicContact CG-CZ3 4.4Å; P405-W409 HydrophobicContact CB-CB 3.93Å; P405-W409 HydrophobicContact CB-CG 3.77Å; P405-W409 HydrophobicContact CG-CB 3.82Å; P405-W409 VanDerWaalsContact CG-CD1 3.49Å; P405-W409 HydrophobicContact CG-CD2 4.17Å; P405-W409 HydrophobicContact CG-CG 3.55Å; P406-W409 WeakPolarHBondContact O-CB 3.36Å; P406-W409 PolarHBondContact O-N 3.35Å; S407-W409 PolarHBondContact O-N 3.38Å; W409-G411 VanDerWaalsContact CE2-O 3.28Å; W409-G411 PolarHBondContact NE1-O 2.84Å; W409-Y412 HydrophobicContact CH2-CD2 4.19Å; W409-Y412 HydrophobicContact CH2-CE2 4.09Å; W409-Y412 AromaticContact CZ2-CD1 4Å; W409-Y412 HydrophobicContact CZ2-CD1 4Å; W409-Y412 HydrophobicContact CZ2-CD2 4.01Å; W409-Y412 HydrophobicContact CZ2-CE1 4.15Å; W409-Y412 HydrophobicContact CZ2-CE2 4.12Å; W409-Y412 AromaticContact CZ2-CG 3.97Å; W409-Y412 HydrophobicContact CZ2-CG 3.97Å
410S92.1Very high95.7Very high129 Ų12955.2 Ų55.290%0.90232%0.317SS*.  trans-105-12.6-176.156.40000114.3N408N408-S410 PolarHBondContact O-N 3.04Å
411G95.7Very high95.6Very high30 Ų3057.1 Ų57.131%0.30933%0.331SS..  trans152.8175.5-17800000113.8W409W409-G411 VanDerWaalsContact CE2-O 3.28Å; W409-G411 PolarHBondContact NE1-O 2.84Å
412Y97.3Very high95.4Very high42 Ų4260.6 Ų60.617%0.16535%0.351CS..  trans-72.5137.2176.3-71.4-66.7000111.3D230 G382 V383 M389 G390 W409 E414D230-Y412 HydrophobicContact CB-CE2 3.99Å; D230-Y412 WeakPolarHBondContact CB-OH 3.3Å; D230-Y412 WeakPolarHBondContact OD2-CE2 3.34Å; D230-Y412 PolarHBondContact OD2-OH 2.62Å; G382-Y412 WeakPolarHBondContact O-CD1 3.39Å; V383-Y412 HydrophobicContact CB-CD1 4.45Å; V383-Y412 HydrophobicContact CB-CE1 4.15Å; V383-Y412 HydrophobicContact CG1-CE1 4.1Å; V383-Y412 HydrophobicContact CG2-CD1 3.96Å; V383-Y412 HydrophobicContact CG2-CD2 3.88Å; V383-Y412 HydrophobicContact CG2-CE1 3.92Å; V383-Y412 HydrophobicContact CG2-CE2 3.88Å; V383-Y412 HydrophobicContact CG2-CG 3.9Å; M389-Y412 PolarHBondContact N-OH 3.06Å; G390-Y412 PolarHBondContact N-OH 2.99Å; W409-Y412 HydrophobicContact CH2-CD2 4.19Å; W409-Y412 HydrophobicContact CH2-CE2 4.09Å; W409-Y412 AromaticContact CZ2-CD1 4Å; W409-Y412 HydrophobicContact CZ2-CD1 4Å; W409-Y412 HydrophobicContact CZ2-CD2 4.01Å; W409-Y412 HydrophobicContact CZ2-CE1 4.15Å; W409-Y412 HydrophobicContact CZ2-CE2 4.12Å; W409-Y412 AromaticContact CZ2-CG 3.97Å; W409-Y412 HydrophobicContact CZ2-CG 3.97Å; Y412-E414 PolarHBondContact O-N 3.16Å
413N96.1Very high95.2Very high76 Ų7664 Ų6441%0.40637%0.372SS..  trans-85.4102.9170.5-173.8-22.2000109.3G382 S415 W416G382-N413 WeakPolarHBondContact CA-O 3.38Å; G382-N413 PolarHBondContact N-O 3.2Å; N413-S415 PolarHBondContact O-N 3.18Å; N413-S415 WeakPolarHBondContact OD1-CB 3.41Å; N413-S415 PolarHBondContact OD1-N 3.01Å; N413-S415 VanDerWaalsContact OD1-N 3.1Å; N413-S415 PolarHBondContact OD1-OG 3.26Å; N413-W416 HydrophobicContact CB-CD2 4.11Å; N413-W416 HydrophobicContact CB-CG 4.26Å; N413-W416 HydrophobicContact CB-CZ2 4.36Å; N413-W416 PolarHBondContact ND2-NE1 3.14Å; N413-W416 PolarHBondContact O-N 3.5Å
414E95.1Very high95Very high113 Ų11368.6 Ų68.653%0.52840%0.399SS..THydrogen-bonded Turntrans-62.1-17.5-175.4-62.1-163.8157.500114.2S263 Y412 W416S263-E414 WeakPolarHBondContact CB-OE1 3.14Å; S263-E414 PolarHBondContact OG-OE1 3.49Å; Y412-E414 PolarHBondContact O-N 3.16Å; E414-W416 PolarHBondContact O-N 3.07Å
415S95.4Very high94.7Very high84 Ų8473.8 Ų73.859%0.58743%0.429SS*.THydrogen-bonded Turntrans-70.6-11.7174.571.80000113.8N413 V417N413-S415 PolarHBondContact O-N 3.18Å; N413-S415 WeakPolarHBondContact OD1-CB 3.41Å; N413-S415 PolarHBondContact OD1-N 3.01Å; N413-S415 VanDerWaalsContact OD1-N 3.1Å; N413-S415 PolarHBondContact OD1-OG 3.26Å; S415-V417 PolarHBondContact O-N 3.43Å
416W94.7Very high94.4Very high45 Ų4579.7 Ų79.717%0.1746%0.463CS..  trans-84.8108.5174.5-54.3-4.1000109.7Y360 R363 F379 G382 N413 E414Y360-W416 HydrophobicContact CE2-CH2 4.15Å; Y360-W416 AromaticContact CE2-CZ3 3.93Å; Y360-W416 HydrophobicContact CE2-CZ3 3.93Å; R363-W416 HydrophobicContact CB-CD2 3.78Å; R363-W416 HydrophobicContact CB-CE3 4.19Å; R363-W416 HydrophobicContact CB-CG 4.07Å; R363-W416 HydrophobicContact CB-CZ2 4.21Å; R363-W416 VanDerWaalsContact N-CZ2 3.3Å; F379-W416 HydrophobicContact CB-CB 3.99Å; F379-W416 WeakPolarHBondContact CB-O 3.33Å; F379-W416 HydrophobicContact CD1-CB 4.33Å; F379-W416 AromaticContact CD1-CE3 3.85Å; F379-W416 HydrophobicContact CD1-CE3 3.85Å; F379-W416 AromaticContact CE1-CE3 3.53Å; F379-W416 HydrophobicContact CE1-CE3 3.53Å; F379-W416 AromaticContact CE1-CZ3 3.91Å; F379-W416 HydrophobicContact CE1-CZ3 3.91Å; F379-W416 HydrophobicContact CG-CB 4.07Å; F379-W416 HydrophobicContact CG-CE3 4.45Å; F379-W416 AromaticContact CZ-CE3 3.9Å; F379-W416 HydrophobicContact CZ-CE3 3.9Å; F379-W416 HydrophobicContact CZ-CZ3 4.14Å; G382-W416 PolarHBondContact N-O 3.27Å; N413-W416 HydrophobicContact CB-CD2 4.11Å; N413-W416 HydrophobicContact CB-CG 4.26Å; N413-W416 HydrophobicContact CB-CZ2 4.36Å; N413-W416 PolarHBondContact ND2-NE1 3.14Å; N413-W416 PolarHBondContact O-N 3.5Å; E414-W416 PolarHBondContact O-N 3.07Å
417V87.5Confident94.1Very high101 Ų10184.3 Ų84.361%0.61249%0.488SS*.  trans-133.60-176.2-66.50000114R363 F379 S415R363-V417 PolarHBondContact NH1-O 3.3Å; R363-V417 PolarHBondContact NH2-O 3.36Å; F379-V417 CarbonylContact O-C 3.52Å; F379-V417 WeakPolarHBondContact O-CA 3.31Å; S415-V417 PolarHBondContact O-N 3.43Å

Retrieved 417 of 417 residues in 466.2 ms (Link to these results)

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