A0A087Y372_POEFO Loading...

N6-Methyl-AMP deaminase

AlphaFold DB , UniProt , Accession A0A087Y372, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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
1M43.8Very low78Confident228 Ų22883.6 Ų83.6100%1.12343%0.425SS*.  0150.60-77.1167.3179.200105.5D3M1-D3 PolarHBondContact O-N 2.97Å; M1-D3 VanDerWaalsContact O-N 3.1Å
2D49.2Very low79.7Confident108 Ų10876.7 Ų76.758%0.57839%0.389SS*.  trans-71105-174.2-166.90.4000108.5N4 A5D2-N4 PolarHBondContact O-N 3.41Å; D2-A5 WeakPolarHBondContact O-CB 3.46Å; D2-A5 PolarHBondContact O-N 3.27Å
3D57.2Low81.1Confident81 Ų8170.8 Ų70.843%0.43336%0.359SS..Hα-helixtrans-54.3-25.7-174.1-67.9-7.2000112.1M1 A5 E6 F7 Q353M1-D3 PolarHBondContact O-N 2.97Å; M1-D3 VanDerWaalsContact O-N 3.1Å; D3-A5 VanDerWaalsContact C-N 3.33Å; D3-A5 PolarHBondContact O-N 3.39Å; D3-E6 PolarHBondContact O-N 2.83Å; D3-F7 PolarHBondContact O-N 3.46Å; D3-Q353 PolarHBondContact OD2-NE2 3.06Å
4N67.5Low82.4Confident100 Ų10065.7 Ų65.754%0.53533%0.334SS..Hα-helixtrans-63.3-33.1172.4-85-34.4000113.7D2 E6 Y8D2-N4 PolarHBondContact O-N 3.41Å; N4-E6 VanDerWaalsContact C-N 3.35Å; N4-Y8 WeakPolarHBondContact O-CD2 3.44Å; N4-Y8 WeakPolarHBondContact O-CE2 3.32Å
5A76.4Confident83.5Confident35 Ų3561.3 Ų61.329%0.28931%0.312SS..Hα-helixtrans-75.1-27179.200000112.2D2 D3 K9D2-A5 WeakPolarHBondContact O-CB 3.46Å; D2-A5 PolarHBondContact O-N 3.27Å; D3-A5 VanDerWaalsContact C-N 3.33Å; D3-A5 PolarHBondContact O-N 3.39Å; A5-K9 PolarHBondContact O-N 3.46Å
6E87.2Confident84.5Confident114 Ų11457.5 Ų57.553%0.53329%0.292SS..Hα-helixtrans-70.3-40.6177.9-166.3163.7-150.400111.1D3 N4 Y8 K9 D10D3-E6 PolarHBondContact O-N 2.83Å; N4-E6 VanDerWaalsContact C-N 3.35Å; E6-Y8 VanDerWaalsContact C-N 3.34Å; E6-Y8 PolarHBondContact O-N 3.34Å; E6-K9 PolarHBondContact O-N 3.46Å; E6-K9 VanDerWaalsContact O-N 3.11Å; E6-D10 PolarHBondContact O-N 2.66Å
7F93.1Very high85.3Confident17 Ų1754.1 Ų54.18%0.07528%0.275CS..Hα-helixtrans-52.2-46.6174.8170.7-101000113.4D3 K9 D10 L11 P311 V314 L346 L347 A350D3-F7 PolarHBondContact O-N 3.46Å; F7-K9 VanDerWaalsContact C-N 3.34Å; F7-K9 PolarHBondContact O-N 3.04Å; F7-D10 PolarHBondContact O-N 3.1Å; F7-L11 HydrophobicContact CZ-CD1 4.39Å; F7-L11 WeakPolarHBondContact O-CB 3.2Å; F7-L11 PolarHBondContact O-N 3.32Å; F7-P311 HydrophobicContact CE1-CB 4.4Å; F7-P311 HydrophobicContact CE2-CB 4.2Å; F7-P311 HydrophobicContact CZ-CB 3.86Å; F7-V314 HydrophobicContact CE1-CB 4.27Å; F7-V314 HydrophobicContact CE1-CG1 3.86Å; F7-V314 HydrophobicContact CZ-CG1 4.32Å; F7-L346 HydrophobicContact CD2-CD1 4.06Å; F7-L346 HydrophobicContact CD2-CD2 4.13Å; F7-L346 HydrophobicContact CD2-CG 3.83Å; F7-L346 HydrophobicContact CE2-CD1 4.48Å; F7-L346 HydrophobicContact CE2-CD2 3.78Å; F7-L346 HydrophobicContact CE2-CG 3.76Å; F7-L347 HydrophobicContact CE2-CD2 4.29Å; F7-A350 HydrophobicContact CD2-CB 3.78Å; F7-A350 HydrophobicContact CE2-CB 3.99Å
8Y95.6Very high86.1Confident26 Ų2651.1 Ų51.110%0.10226%0.26CS..Hα-helixtrans-70.3-31.9-178.3-60.5-74.2000112.5N4 E6 L11 K13 S297 Q301 A304 V314N4-Y8 WeakPolarHBondContact O-CD2 3.44Å; N4-Y8 WeakPolarHBondContact O-CE2 3.32Å; E6-Y8 VanDerWaalsContact C-N 3.34Å; E6-Y8 PolarHBondContact O-N 3.34Å; Y8-L11 WeakPolarHBondContact O-CB 3.28Å; Y8-K13 PolarHBondContact O-NZ 3.37Å; Y8-S297 PolarHBondContact O-OG 3.02Å; Y8-Q301 HydrophobicContact CD1-CB 4.23Å; Y8-Q301 HydrophobicContact CD2-CB 3.6Å; Y8-Q301 HydrophobicContact CD2-CG 3.8Å; Y8-Q301 HydrophobicContact CE1-CB 4.31Å; Y8-Q301 HydrophobicContact CE2-CB 3.74Å; Y8-Q301 HydrophobicContact CE2-CG 3.58Å; Y8-Q301 HydrophobicContact CG-CB 3.89Å; Y8-A304 HydrophobicContact CE1-CB 3.87Å; Y8-A304 WeakPolarHBondContact OH-CB 3.48Å; Y8-V314 HydrophobicContact CD1-CG1 4.37Å; Y8-V314 HydrophobicContact CE1-CG1 4.13Å; Y8-V314 HydrophobicContact CE1-CG2 4.42Å
9K95.7Very high86.7Confident122 Ų12249.7 Ų49.753%0.5325%0.252SS..Hα-helixtrans-67-44.1173.5-72.3-172.5173.9-169.90111.6A5 E6 F7 L11 K13 N91 S297A5-K9 PolarHBondContact O-N 3.46Å; E6-K9 PolarHBondContact O-N 3.46Å; E6-K9 VanDerWaalsContact O-N 3.11Å; F7-K9 VanDerWaalsContact C-N 3.34Å; F7-K9 PolarHBondContact O-N 3.04Å; K9-L11 VanDerWaalsContact C-N 3.3Å; K9-L11 PolarHBondContact O-N 3.34Å; K9-K13 PolarHBondContact O-NZ 3.42Å; K9-N91 WeakPolarHBondContact O-CB 3.38Å; K9-S297 WeakPolarHBondContact CA-OG 3.32Å
10D95.3Very high87.3Confident89 Ų8947.3 Ų47.348%0.47624%0.239SC..Hα-helixtrans-79.3-12.1-179.4-68.9-13.8000113.6E6 F7 P12 N91 L346E6-D10 PolarHBondContact O-N 2.66Å; F7-D10 PolarHBondContact O-N 3.1Å; D10-P12 WeakPolarHBondContact O-CD 3.45Å; D10-N91 PolarHBondContact O-ND2 3.47Å; D10-L346 HydrophobicContact CB-CD1 3.5Å
11L96.9Very high87.6Confident0 Ų045.3 Ų45.30%023%0.23CC..SBendtrans-60.7122.6171.6-175.271000109.5F7 Y8 K9 K13 N91 Y300 V314 W315 L346F7-L11 HydrophobicContact CZ-CD1 4.39Å; F7-L11 WeakPolarHBondContact O-CB 3.2Å; F7-L11 PolarHBondContact O-N 3.32Å; Y8-L11 WeakPolarHBondContact O-CB 3.28Å; K9-L11 VanDerWaalsContact C-N 3.3Å; K9-L11 PolarHBondContact O-N 3.34Å; L11-K13 HydrophobicContact CB-CG 4.38Å; L11-K13 HydrophobicContact CD2-CD 4.39Å; L11-K13 HydrophobicContact CD2-CG 4.03Å; L11-K13 HydrophobicContact CG-CG 4.1Å; L11-K13 WeakPolarHBondContact O-CG 3.25Å; L11-K13 PolarHBondContact O-N 3.06Å; L11-K13 PolarHBondContact O-NZ 3.39Å; L11-N91 PolarHBondContact O-ND2 3.04Å; L11-Y300 HydrophobicContact CD2-CD1 3.81Å; L11-Y300 HydrophobicContact CD2-CE1 4.13Å; L11-Y300 HydrophobicContact CD2-CG 4.08Å; L11-V314 HydrophobicContact CD2-CG1 3.65Å; L11-W315 HydrophobicContact CD1-CE3 3.99Å; L11-W315 HydrophobicContact CD1-CZ3 4.48Å; L11-L346 HydrophobicContact CB-CD2 4.21Å; L11-L346 HydrophobicContact CD1-CD2 3.9Å
12P98.1Very high90.1Very high0 Ų034.5 Ų34.50%018%0.176CC..  trans-65135.4168.527.9-34.2000108.4D10 K93 W315 S318 W339 L342D10-P12 WeakPolarHBondContact O-CD 3.45Å; P12-K93 HydrophobicContact CB-CG 3.98Å; P12-W315 HydrophobicContact CG-CH2 4.02Å; P12-W315 HydrophobicContact CG-CZ3 4.14Å; P12-S318 PolarHBondContact O-OG 3.5Å; P12-W339 HydrophobicContact CB-CD2 4.05Å; P12-W339 HydrophobicContact CB-CE3 4.05Å; P12-W339 HydrophobicContact CB-CH2 3.8Å; P12-W339 HydrophobicContact CB-CZ2 3.75Å; P12-W339 HydrophobicContact CB-CZ3 3.94Å; P12-W339 HydrophobicContact CG-CD2 3.9Å; P12-W339 HydrophobicContact CG-CE3 4.36Å; P12-W339 HydrophobicContact CG-CG 4.26Å; P12-W339 HydrophobicContact CG-CZ2 4.1Å; P12-W339 WeakPolarHBondContact O-CZ2 3.22Å; P12-L342 HydrophobicContact CB-CD1 3.77Å; P12-L342 HydrophobicContact CG-CB 4.42Å; P12-L342 HydrophobicContact CG-CD1 3.83Å
13K98.7Very high92.4Very high0 Ų029.3 Ų29.30%015%0.149CC..EExtended strand (participates in β ladder)trans-132.2159.7-174.1-66.3170.5-63.4-780112.1Y8 K9 L11 D90 N91 V92 K93 L296 S297 Y300Y8-K13 PolarHBondContact O-NZ 3.37Å; K9-K13 PolarHBondContact O-NZ 3.42Å; L11-K13 HydrophobicContact CB-CG 4.38Å; L11-K13 HydrophobicContact CD2-CD 4.39Å; L11-K13 HydrophobicContact CD2-CG 4.03Å; L11-K13 HydrophobicContact CG-CG 4.1Å; L11-K13 WeakPolarHBondContact O-CG 3.25Å; L11-K13 PolarHBondContact O-N 3.06Å; L11-K13 PolarHBondContact O-NZ 3.39Å; K13-D90 WeakPolarHBondContact CE-O 3.27Å; K13-D90 PolarHBondContact NZ-O 2.9Å; K13-N91 PolarHBondContact N-O 3.49Å; K13-N91 VanDerWaalsContact N-O 3.13Å; K13-V92 HydrophobicContact CB-CG2 4.38Å; K13-V92 CarbonylContact O-C 3.56Å; K13-V92 WeakPolarHBondContact O-CA 3.5Å; K13-K93 PolarHBondContact O-N 3.32Å; K13-L296 HydrophobicContact CB-CD2 3.61Å; K13-L296 HydrophobicContact CB-CG 4.43Å; K13-L296 HydrophobicContact CD-CB 4.36Å; K13-L296 HydrophobicContact CD-CD2 4.1Å; K13-L296 HydrophobicContact CD-CG 3.99Å; K13-L296 HydrophobicContact CG-CD2 4.35Å; K13-S297 VanDerWaalsContact CE-OG 3.27Å; K13-S297 WeakPolarHBondContact CE-OG 3.23Å; K13-S297 PolarHBondContact NZ-OG 2.7Å; K13-Y300 HydrophobicContact CB-CE2 4.29Å; K13-Y300 HydrophobicContact CD-CD2 3.64Å; K13-Y300 HydrophobicContact CD-CE2 3.83Å; K13-Y300 HydrophobicContact CD-CG 4.41Å; K13-Y300 HydrophobicContact CG-CD2 4.1Å; K13-Y300 HydrophobicContact CG-CE2 3.83Å
14V98.9Very high94.2Very high0 Ų025.7 Ų25.70%013%0.129CC..EExtended strand (participates in β ladder)trans-120.8124.8173.5172.60000107.7L16 Y94 A321 V322 I325 W339V14-L16 HydrophobicContact CG1-CD1 4.37Å; V14-L16 HydrophobicContact CG1-CD2 3.64Å; V14-L16 HydrophobicContact CG1-CG 3.81Å; V14-Y94 WeakPolarHBondContact CA-O 3.31Å; V14-Y94 HydrophobicContact CG1-CD1 3.88Å; V14-A321 HydrophobicContact CB-CB 3.74Å; V14-A321 HydrophobicContact CG1-CB 4.08Å; V14-A321 HydrophobicContact CG2-CB 4.27Å; V14-V322 HydrophobicContact CG2-CG2 3.93Å; V14-I325 HydrophobicContact CG1-CG2 3.87Å; V14-W339 HydrophobicContact CG2-CH2 3.71Å; V14-W339 HydrophobicContact CG2-CZ2 4.05Å
15E98.9Very high95.3Very high0 Ų021.4 Ų21.40%011%0.107CC..EExtended strand (participates in β ladder)trans-105.7120.6175.417654.5-87.200108.9H17 A18 F87 V92 Y94 L95 E96 C285 T286 L296E15-H17 VanDerWaalsContact OE1-C 3.28Å; E15-H17 PolarHBondContact OE1-N 3.28Å; E15-A18 HydrophobicContact CG-CB 3.6Å; E15-F87 HydrophobicContact CG-CD1 4.5Å; E15-F87 HydrophobicContact CG-CE1 3.95Å; E15-F87 HydrophobicContact CG-CZ 4.11Å; E15-V92 HydrophobicContact CB-CG1 3.94Å; E15-Y94 PolarHBondContact N-O 3.27Å; E15-L95 HydrophobicContact CB-CD1 3.76Å; E15-L95 HydrophobicContact CG-CD1 3.46Å; E15-L95 VanDerWaalsContact CG-CD1 3.46Å; E15-L95 CarbonylContact O-C 3.53Å; E15-L95 WeakPolarHBondContact O-CA 3.31Å; E15-E96 PolarHBondContact O-N 3.29Å; E15-C285 WeakPolarHBondContact OE1-CA 3.4Å; E15-C285 VanDerWaalsContact OE1-CB 3.23Å; E15-C285 WeakPolarHBondContact OE1-CB 3.32Å; E15-T286 WeakPolarHBondContact OE2-CB 3.42Å; E15-T286 WeakPolarHBondContact OE2-CG2 3.47Å; E15-T286 PolarHBondContact OE2-N 3.42Å; E15-T286 PolarHBondContact OE2-OG1 2.9Å; E15-L296 HydrophobicContact CB-CD2 4.05Å
16L98.9Very high95.9Very high0 Ų022.5 Ų22.50%011%0.111CC..EExtended strand (participates in β ladder)trans-114-11.6-178.2-61.8-175.1000113.9V14 Y94 E96 R98 V283 C324 I325V14-L16 HydrophobicContact CG1-CD1 4.37Å; V14-L16 HydrophobicContact CG1-CD2 3.64Å; V14-L16 HydrophobicContact CG1-CG 3.81Å; L16-Y94 HydrophobicContact CD2-CD1 3.98Å; L16-Y94 HydrophobicContact CD2-CE1 3.71Å; L16-E96 HydrophobicContact CD2-CB 4.18Å; L16-E96 HydrophobicContact CD2-CG 4.23Å; L16-R98 PolarHBondContact O-NH2 3.06Å; L16-V283 HydrophobicContact CB-CG1 4.43Å; L16-V283 HydrophobicContact CD1-CB 4.33Å; L16-V283 HydrophobicContact CD1-CG1 3.99Å; L16-V283 HydrophobicContact CD1-CG2 3.97Å; L16-V283 HydrophobicContact CG-CG1 4.12Å; L16-C324 HydrophobicContact CD1-CB 3.73Å; L16-I325 HydrophobicContact CD2-CB 4.41Å; L16-I325 HydrophobicContact CD2-CG2 3.97Å
17H98.9Very high96.1Very high0 Ų022.8 Ų22.80%011%0.112CC..EExtended strand (participates in β ladder)trans-138.981.8-176.7-168142.9000109.8E15 H19 R98 H202 H226 E252 C285 D287E15-H17 VanDerWaalsContact OE1-C 3.28Å; E15-H17 PolarHBondContact OE1-N 3.28Å; H17-H19 AromaticContact CD2-CD2 3.92Å; H17-H19 AromaticContact CD2-NE2 3.57Å; H17-H19 AromaticContact NE2-CD2 3.84Å; H17-H19 AromaticContact NE2-CE1 3.94Å; H17-H19 AromaticContact NE2-NE2 3.06Å; H17-H19 PolarHBondContact NE2-NE2 2.98Å; H17-R98 PolarHBondContact CD2-NH1 2.89Å; H17-R98 VanDerWaalsContact CD2-NH1 3.34Å; H17-R98 PolarHBondContact CE1-NH1 2.84Å; H17-R98 VanDerWaalsContact CG-CZ 3.44Å; H17-R98 PolarHBondContact ND1-NH1 2.68Å; H17-R98 PolarHBondContact NE2-NH1 3.17Å; H17-H202 AromaticContact CE1-CD2 3.78Å; H17-H202 AromaticContact CE1-CE1 3.27Å; H17-H202 PolarHBondContact CE1-CE1 2.87Å; H17-H202 AromaticContact CE1-ND1 3.95Å; H17-H202 AromaticContact CE1-NE2 3.15Å; H17-H202 PolarHBondContact CE1-NE2 3.07Å; H17-H202 AromaticContact NE2-CD2 4Å; H17-H202 AromaticContact NE2-CE1 3.29Å; H17-H202 PolarHBondContact NE2-CE1 2.96Å; H17-H202 VanDerWaalsContact NE2-CE1 3.29Å; H17-H202 AromaticContact NE2-NE2 3.01Å; H17-H202 PolarHBondContact NE2-NE2 3.31Å; H17-H226 AromaticContact CE1-NE2 3.66Å; H17-H226 AromaticContact NE2-NE2 3.93Å; H17-E252 HydrophobicContact CB-CB 3.93Å; H17-E252 HydrophobicContact CB-CG 4.36Å; H17-E252 WeakPolarHBondContact CB-OE2 3.44Å; H17-E252 IonicContact CE1-OE2 2.66Å; H17-E252 IonicContact CG-OE2 3.95Å; H17-E252 IonicContact ND1-OE2 3.11Å; H17-E252 PolarHBondContact ND1-OE2 3.4Å; H17-C285 HydrophobicContact CB-CB 3.6Å; H17-D287 IonicContact CD2-OD1 2.65Å; H17-D287 PolarHBondContact CD2-OD1 3.35Å; H17-D287 IonicContact NE2-OD1 3.62Å; H17-D287 PolarHBondContact NE2-OD1 3.44Å; H17-D287 WeakPolarHBondContact O-CA 3.42Å; H17-D287 PolarHBondContact O-N 3.17Å
18A98.8Very high96.2Very high0 Ų022 Ų220%011%0.108CC..EExtended strand (participates in β ladder)trans-132.2112.1174.500000110.9E15 F87 L95 R98 D287E15-A18 HydrophobicContact CG-CB 3.6Å; A18-F87 HydrophobicContact CB-CE2 3.81Å; A18-F87 HydrophobicContact CB-CZ 3.55Å; A18-L95 HydrophobicContact CB-CD1 4.03Å; A18-R98 WeakPolarHBondContact O-CG 3.47Å; A18-R98 PolarHBondContact O-N 2.97Å; A18-D287 VanDerWaalsContact CA-O 3.32Å; A18-D287 WeakPolarHBondContact CA-O 3.35Å
19H98.6Very high95.9Very high24 Ų2420.8 Ų20.811%0.11110%0.104CC..EExtended strand (participates in β ladder)trans-78.7129.8176-58.4-91.3000110.3H17 N21 G22 S23 R98 D172 H202 D287 D288H17-H19 AromaticContact CD2-CD2 3.92Å; H17-H19 AromaticContact CD2-NE2 3.57Å; H17-H19 AromaticContact NE2-CD2 3.84Å; H17-H19 AromaticContact NE2-CE1 3.94Å; H17-H19 AromaticContact NE2-NE2 3.06Å; H17-H19 PolarHBondContact NE2-NE2 2.98Å; H19-N21 PolarHBondContact O-N 3.11Å; H19-G22 CarbonylContact O-C 3.55Å; H19-G22 PolarHBondContact O-N 3.02Å; H19-S23 WeakPolarHBondContact O-CB 3.46Å; H19-S23 PolarHBondContact O-N 3.33Å; H19-S23 PolarHBondContact O-OG 2.95Å; H19-R98 CarbonylContact C-O 3.48Å; H19-R98 WeakPolarHBondContact CA-O 3.13Å; H19-R98 HydrophobicContact CB-CG 4.33Å; H19-R98 VanDerWaalsContact CE1-CD 3.41Å; H19-R98 WeakPolarHBondContact CE1-CD 3.45Å; H19-R98 WeakPolarHBondContact ND1-CD 3.33Å; H19-R98 WeakPolarHBondContact ND1-CG 3.36Å; H19-D172 IonicContact CE1-OD2 3.76Å; H19-H202 AromaticContact CE1-CE1 3.5Å; H19-H202 AromaticContact CE1-NE2 3.46Å; H19-H202 PolarHBondContact CE1-NE2 3.32Å; H19-H202 AromaticContact NE2-CE1 3.67Å; H19-H202 AromaticContact NE2-NE2 3.26Å; H19-H202 PolarHBondContact NE2-NE2 3.05Å; H19-D287 IonicContact CD2-OD1 3.97Å; H19-D287 PolarHBondContact CD2-OD1 3.45Å; H19-D287 PolarHBondContact N-O 3.13Å; H19-D287 IonicContact NE2-OD1 3.29Å; H19-D287 PolarHBondContact NE2-OD1 2.98Å; H19-D287 VanDerWaalsContact NE2-OD1 3.14Å; H19-D288 WeakPolarHBondContact CB-OD1 3.39Å; H19-D288 IonicContact CD2-OD1 3.91Å; H19-D288 PolarHBondContact CD2-OD1 2.97Å; H19-D288 IonicContact CG-OD1 3.58Å
20L98.3Very high95.7Very high1 Ų118.6 Ų18.61%0.00510%0.095CC..THydrogen-bonded Turntrans-56.3-53.3-175.9175.555.4000112.3G22 S23 V79 A80 V83 L97 R98 V119L20-G22 VanDerWaalsContact C-N 3.3Å; L20-G22 PolarHBondContact O-N 2.97Å; L20-S23 PolarHBondContact O-N 3.45Å; L20-V79 HydrophobicContact CD1-CG1 3.68Å; L20-V79 HydrophobicContact CG-CG1 4.14Å; L20-A80 HydrophobicContact CD1-CB 4.03Å; L20-A80 HydrophobicContact CD2-CB 4.2Å; L20-V83 HydrophobicContact CD1-CB 4.25Å; L20-V83 HydrophobicContact CD1-CG1 4.46Å; L20-V83 HydrophobicContact CD1-CG2 4.19Å; L20-L97 HydrophobicContact CB-CD1 4.02Å; L20-L97 HydrophobicContact CB-CD2 4.39Å; L20-L97 HydrophobicContact CB-CG 4.24Å; L20-L97 HydrophobicContact CD1-CD1 4.24Å; L20-L97 HydrophobicContact CD1-CD2 4.04Å; L20-L97 HydrophobicContact CD2-CD2 4.46Å; L20-R98 PolarHBondContact N-O 3.36Å; L20-V119 HydrophobicContact CD2-CG2 3.83Å
21N94.5Very high95.6Very high7 Ų718 Ų184%0.0379%0.089CC..G310 helixtrans-69.7-28.4-178.5-60.7-83.8000111.7H19 S23 V24 F63 I66 S99 R102 Y115H19-N21 PolarHBondContact O-N 3.11Å; N21-S23 VanDerWaalsContact C-N 3.32Å; N21-V24 WeakPolarHBondContact O-CG2 3.42Å; N21-F63 HydrophobicContact CB-CD1 4.49Å; N21-I66 HydrophobicContact CB-CG2 4.04Å; N21-I66 WeakPolarHBondContact O-CD1 3.36Å; N21-S99 PolarHBondContact ND2-OG 3.14Å; N21-R102 PolarHBondContact OD1-NH2 3.48Å; N21-Y115 PolarHBondContact ND2-OH 3.18Å
22G94.9Very high95.4Very high0 Ų018 Ų180%09%0.089CC..G310 helixtrans-80.4-15.317500000114.1H19 L20 D288 G290 V291H19-G22 CarbonylContact O-C 3.55Å; H19-G22 PolarHBondContact O-N 3.02Å; L20-G22 VanDerWaalsContact C-N 3.3Å; L20-G22 PolarHBondContact O-N 2.97Å; G22-D288 VanDerWaalsContact CA-OD1 3.32Å; G22-D288 WeakPolarHBondContact CA-OD1 3.49Å; G22-D288 CarbonylContact O-C 3.55Å; G22-D288 VanDerWaalsContact O-C 3.27Å; G22-D288 WeakPolarHBondContact O-CA 3.47Å; G22-G290 VanDerWaalsContact O-CA 3.3Å; G22-G290 WeakPolarHBondContact O-CA 3.39Å; G22-G290 PolarHBondContact O-N 2.91Å; G22-V291 PolarHBondContact O-N 2.98Å
23S97.2Very high95Very high0 Ų019.5 Ų19.50%010%0.096CC..G310 helixtrans-90.5-0.1-179.9-64.70000114.1H19 L20 N21 S25 K289H19-S23 WeakPolarHBondContact O-CB 3.46Å; H19-S23 PolarHBondContact O-N 3.33Å; H19-S23 PolarHBondContact O-OG 2.95Å; L20-S23 PolarHBondContact O-N 3.45Å; N21-S23 VanDerWaalsContact C-N 3.32Å; S23-S25 PolarHBondContact O-N 3.31Å; S23-K289 WeakPolarHBondContact O-CE 3.4Å
24V95.1Very high94.6Very high4 Ų428 Ų282%0.02413%0.128CC..  trans-62.7111.3179.5-173.50000109.8N21 T28 M29 L32 I66 V79 G290N21-V24 WeakPolarHBondContact O-CG2 3.42Å; V24-T28 HydrophobicContact CG1-CG2 3.86Å; V24-M29 HydrophobicContact CB-CE 3.89Å; V24-M29 HydrophobicContact CG1-CB 4.48Å; V24-M29 HydrophobicContact CG1-CE 3.53Å; V24-M29 HydrophobicContact CG1-SD 4.47Å; V24-L32 HydrophobicContact CG1-CD1 4.17Å; V24-I66 HydrophobicContact CG2-CG2 4.04Å; V24-V79 HydrophobicContact CG2-CG1 3.62Å; V24-V79 HydrophobicContact CG2-CG2 4.3Å; V24-G290 WeakPolarHBondContact O-CA 3.32Å
25S92.2Very high94.2Very high10 Ų1033.2 Ų33.27%0.0715%0.148CC..  trans-66.2160.2177.966.30000112S23 Q27 T28 M29 E86S23-S25 PolarHBondContact O-N 3.31Å; S25-Q27 PolarHBondContact O-N 3.07Å; S25-T28 PolarHBondContact O-N 2.79Å; S25-T28 VanDerWaalsContact O-N 3.14Å; S25-T28 WeakPolarHBondContact OG-CB 3.28Å; S25-T28 PolarHBondContact OG-N 3.32Å; S25-T28 VanDerWaalsContact OG-N 3.15Å; S25-T28 PolarHBondContact OG-OG1 2.99Å; S25-M29 WeakPolarHBondContact O-CB 3.09Å; S25-M29 PolarHBondContact O-N 3.45Å; S25-E86 VanDerWaalsContact CB-OE1 3.27Å; S25-E86 WeakPolarHBondContact CB-OE1 3.34Å; S25-E86 WeakPolarHBondContact CB-OE2 3.31Å; S25-E86 PolarHBondContact OG-OE1 3Å
26V89.1Confident93.8Very high59 Ų5934.1 Ų34.136%0.35815%0.152SC..Hα-helixtrans-56.5-39.2174.3177.20000110.9M29 E30V26-M29 WeakPolarHBondContact O-CB 3.42Å; V26-M29 PolarHBondContact O-N 2.93Å; V26-E30 WeakPolarHBondContact O-CG 3.46Å; V26-E30 PolarHBondContact O-N 3.48Å
27Q91.6Very high93.2Very high120 Ų12038.5 Ų38.556%0.56118%0.18SC*.Hα-helixtrans-65-41.7178.5-65.1800.900111.8S25 E30 K31S25-Q27 PolarHBondContact O-N 3.07Å; Q27-E30 WeakPolarHBondContact O-CB 3.36Å; Q27-E30 PolarHBondContact O-N 3.49Å; Q27-K31 WeakPolarHBondContact O-CG 3.38Å; Q27-K31 PolarHBondContact O-N 3.15Å
28T93.4Very high92.6Very high0 Ų045 Ų450%021%0.21CC..Hα-helixtrans-69.8-38.7175.7-59.40000110.9V24 S25 E30 K31 L32 V79 D82 E86V24-T28 HydrophobicContact CG1-CG2 3.86Å; S25-T28 PolarHBondContact O-N 2.79Å; S25-T28 VanDerWaalsContact O-N 3.14Å; S25-T28 WeakPolarHBondContact OG-CB 3.28Å; S25-T28 PolarHBondContact OG-N 3.32Å; S25-T28 VanDerWaalsContact OG-N 3.15Å; S25-T28 PolarHBondContact OG-OG1 2.99Å; T28-E30 VanDerWaalsContact C-N 3.32Å; T28-E30 PolarHBondContact O-N 3.48Å; T28-K31 WeakPolarHBondContact O-CB 3.29Å; T28-K31 PolarHBondContact O-N 3.43Å; T28-L32 PolarHBondContact O-N 3.13Å; T28-V79 HydrophobicContact CG2-CG2 3.93Å; T28-D82 HydrophobicContact CG2-CB 4.16Å; T28-D82 WeakPolarHBondContact OG1-CB 3.45Å; T28-D82 PolarHBondContact OG1-OD2 3.25Å; T28-E86 PolarHBondContact OG1-OE1 3.44Å
29M90.9Very high91.9Very high1 Ų147.9 Ų47.91%0.00523%0.225CC..Hα-helixtrans-57.8-43.4173.4-161.561.765.300112.1V24 S25 V26 K31 L32 I33 T46 I66 L69V24-M29 HydrophobicContact CB-CE 3.89Å; V24-M29 HydrophobicContact CG1-CB 4.48Å; V24-M29 HydrophobicContact CG1-CE 3.53Å; V24-M29 HydrophobicContact CG1-SD 4.47Å; S25-M29 WeakPolarHBondContact O-CB 3.09Å; S25-M29 PolarHBondContact O-N 3.45Å; V26-M29 WeakPolarHBondContact O-CB 3.42Å; V26-M29 PolarHBondContact O-N 2.93Å; M29-K31 VanDerWaalsContact C-N 3.29Å; M29-K31 PolarHBondContact O-N 3.46Å; M29-L32 PolarHBondContact O-N 2.79Å; M29-L32 HydrophobicContact SD-CD1 4.45Å; M29-I33 HydrophobicContact CG-CD1 3.96Å; M29-I33 HydrophobicContact CG-CG1 4.47Å; M29-I33 VanDerWaalsContact O-CG1 3.3Å; M29-I33 WeakPolarHBondContact O-CG1 3.4Å; M29-I33 PolarHBondContact O-N 2.71Å; M29-T46 HydrophobicContact CG-CG2 3.69Å; M29-T46 HydrophobicContact SD-CG2 3.96Å; M29-I66 HydrophobicContact CE-CD1 3.97Å; M29-I66 HydrophobicContact CE-CG1 3.67Å; M29-L69 HydrophobicContact CG-CD1 4.38Å; M29-L69 HydrophobicContact SD-CD1 3.27Å; M29-L69 WeakPolarHBondContact SD-CD1 3.42Å
30E90.5Very high91.1Very high76 Ų7653.3 Ų53.336%0.35526%0.255SS..Hα-helixtrans-61.1-34.1174.5-80.1172-169.400113.2V26 Q27 T28 R34 H43V26-E30 WeakPolarHBondContact O-CG 3.46Å; V26-E30 PolarHBondContact O-N 3.48Å; Q27-E30 WeakPolarHBondContact O-CB 3.36Å; Q27-E30 PolarHBondContact O-N 3.49Å; T28-E30 VanDerWaalsContact C-N 3.32Å; T28-E30 PolarHBondContact O-N 3.48Å; E30-R34 WeakPolarHBondContact O-CB 2.97Å; E30-R34 WeakPolarHBondContact O-CG 3.44Å; E30-R34 PolarHBondContact O-N 3.06Å; E30-R34 PolarHBondContact O-NE 3.13Å; E30-H43 VanDerWaalsContact CG-CE1 3.47Å; E30-H43 WeakPolarHBondContact CG-CE1 3.31Å
31K93.5Very high90.3Very high77 Ų7754.6 Ų54.634%0.33526%0.262SS..Hα-helixtrans-67.1-45.8173.6-62.4172.6-167.8170.10110.4Q27 T28 M29 R34 R35 M78 D82Q27-K31 WeakPolarHBondContact O-CG 3.38Å; Q27-K31 PolarHBondContact O-N 3.15Å; T28-K31 WeakPolarHBondContact O-CB 3.29Å; T28-K31 PolarHBondContact O-N 3.43Å; M29-K31 VanDerWaalsContact C-N 3.29Å; M29-K31 PolarHBondContact O-N 3.46Å; K31-R34 PolarHBondContact O-N 3.48Å; K31-R35 WeakPolarHBondContact O-CG 3.04Å; K31-R35 PolarHBondContact O-N 2.82Å; K31-M78 HydrophobicContact CB-SD 4Å; K31-M78 HydrophobicContact CD-SD 4.27Å; K31-D82 IonicContact NZ-OD1 3.31Å; K31-D82 PolarHBondContact NZ-OD1 3.1Å; K31-D82 VanDerWaalsContact NZ-OD1 3.09Å; K31-D82 IonicContact NZ-OD2 3.22Å; K31-D82 PolarHBondContact NZ-OD2 3.09Å
32L91.9Very high89.3Confident0 Ų060.5 Ų60.50%029%0.289CS..Hα-helixtrans-63.5-46.7179.2-66.8169.6000112.3V24 T28 M29 R34 R35 K36 L69 V70 D75 V79V24-L32 HydrophobicContact CG1-CD1 4.17Å; T28-L32 PolarHBondContact O-N 3.13Å; M29-L32 PolarHBondContact O-N 2.79Å; M29-L32 HydrophobicContact SD-CD1 4.45Å; L32-R34 VanDerWaalsContact C-N 3.29Å; L32-R34 PolarHBondContact O-N 2.93Å; L32-R35 WeakPolarHBondContact O-CB 3.36Å; L32-R35 PolarHBondContact O-N 2.84Å; L32-K36 PolarHBondContact O-N 3.02Å; L32-K36 VanDerWaalsContact O-N 3.13Å; L32-L69 HydrophobicContact CB-CB 4.26Å; L32-L69 HydrophobicContact CB-CD2 4.24Å; L32-L69 HydrophobicContact CD1-CB 4.3Å; L32-V70 HydrophobicContact CD1-CG2 3.72Å; L32-D75 HydrophobicContact CD2-CB 3.88Å; L32-V79 HydrophobicContact CD1-CG2 3.78Å; L32-V79 HydrophobicContact CD2-CG2 4.28Å; L32-V79 HydrophobicContact CG-CG2 4.43Å
33I90.5Very high88Confident31 Ų3165.5 Ų65.516%0.15931%0.312CS..Hα-helixtrans-59.1-42.6178.2-69.5167.3000110.5M29 R35 K36 I41 L69M29-I33 HydrophobicContact CG-CD1 3.96Å; M29-I33 HydrophobicContact CG-CG1 4.47Å; M29-I33 VanDerWaalsContact O-CG1 3.3Å; M29-I33 WeakPolarHBondContact O-CG1 3.4Å; M29-I33 PolarHBondContact O-N 2.71Å; I33-R35 VanDerWaalsContact C-N 3.28Å; I33-R35 PolarHBondContact O-N 3.42Å; I33-K36 CarbonylContact O-C 3.59Å; I33-K36 PolarHBondContact O-N 3.32Å; I33-I41 HydrophobicContact CD1-CG2 4.21Å; I33-I41 HydrophobicContact CG1-CB 4.49Å; I33-I41 HydrophobicContact CG1-CG2 4.41Å; I33-L69 HydrophobicContact CG1-CD1 3.95Å; I33-L69 HydrophobicContact CG1-CD2 4.2Å
34R91Very high86.6Confident177 Ų17769.8 Ų69.867%0.66834%0.343SS*.Hα-helixtrans-63.8-30.5176.5-79-177-74.3-166.7-4.5113.5E30 K31 L32 K36E30-R34 WeakPolarHBondContact O-CB 2.97Å; E30-R34 WeakPolarHBondContact O-CG 3.44Å; E30-R34 PolarHBondContact O-N 3.06Å; E30-R34 PolarHBondContact O-NE 3.13Å; K31-R34 PolarHBondContact O-N 3.48Å; L32-R34 VanDerWaalsContact C-N 3.29Å; L32-R34 PolarHBondContact O-N 2.93Å; R34-K36 VanDerWaalsContact C-N 3.32Å
35R90.6Very high85.3Confident110 Ų11073.9 Ų73.942%0.41536%0.362SS..Hα-helixtrans-73.3-25.6173.7-70168.363.783.7-1.2112.2K31 L32 I33 P37 E74 D75K31-R35 WeakPolarHBondContact O-CG 3.04Å; K31-R35 PolarHBondContact O-N 2.82Å; L32-R35 WeakPolarHBondContact O-CB 3.36Å; L32-R35 PolarHBondContact O-N 2.84Å; I33-R35 VanDerWaalsContact C-N 3.28Å; I33-R35 PolarHBondContact O-N 3.42Å; R35-P37 VanDerWaalsContact C-CD 3.42Å; R35-P37 WeakPolarHBondContact O-CD 3.36Å; R35-E74 IonicContact CZ-OE2 2.99Å; R35-E74 IonicContact NH1-OE2 3.14Å; R35-E74 IonicContact NH2-OE2 3.86Å; R35-E74 PolarHBondContact NH2-OE2 2.57Å; R35-D75 IonicContact CZ-OD1 3.15Å; R35-D75 IonicContact NE-OD1 3.43Å; R35-D75 PolarHBondContact NE-OD1 2.62Å; R35-D75 VanDerWaalsContact NE-OD1 3.09Å; R35-D75 IonicContact NH2-OD1 3.71Å; R35-D75 PolarHBondContact NH2-OD1 3.32Å
36K89.8Confident84.1Confident20 Ų2073.7 Ų73.79%0.08736%0.361CS..  trans-127.558.5-174-60.1-178.5-176.21700113L32 I33 R34 H38 L39 L69 D71 D75L32-K36 PolarHBondContact O-N 3.02Å; L32-K36 VanDerWaalsContact O-N 3.13Å; I33-K36 CarbonylContact O-C 3.59Å; I33-K36 PolarHBondContact O-N 3.32Å; R34-K36 VanDerWaalsContact C-N 3.32Å; K36-H38 PolarHBondContact O-N 3.47Å; K36-L39 HydrophobicContact CB-CD1 3.83Å; K36-L39 HydrophobicContact CB-CG 4.16Å; K36-L39 HydrophobicContact CD-CD1 3.92Å; K36-L39 HydrophobicContact CG-CD1 4.49Å; K36-L39 PolarHBondContact O-N 3.4Å; K36-L39 VanDerWaalsContact O-N 3.13Å; K36-L69 HydrophobicContact CB-CD2 4.35Å; K36-L69 HydrophobicContact CD-CD2 4.4Å; K36-L69 PolarHBondContact NZ-O 3.12Å; K36-D71 IonicContact NZ-OD1 3.98Å; K36-D71 PolarHBondContact NZ-OD1 3.23Å; K36-D71 IonicContact NZ-OD2 3.24Å; K36-D75 WeakPolarHBondContact CE-OD2 3.14Å; K36-D75 IonicContact NZ-OD2 3.14Å; K36-D75 PolarHBondContact NZ-OD2 3.47Å
37P86.8Confident83.4Confident92 Ų9271.8 Ų71.860%0.59735%0.352SS*.G310 helixtrans-61.8-22.6-176.826.1-35.3000113.3R35 L39 N40R35-P37 VanDerWaalsContact C-CD 3.42Å; R35-P37 WeakPolarHBondContact O-CD 3.36Å; P37-L39 PolarHBondContact O-N 3.28Å; P37-N40 PolarHBondContact O-N 2.95Å
38H85.6Confident82.2Confident136 Ų13666.2 Ų66.263%0.6333%0.326SS*.G310 helixtrans-68.8-16.6179.662.7-85.8000114.1K36 N40K36-H38 PolarHBondContact O-N 3.47Å; H38-N40 PolarHBondContact O-ND2 3.5Å
39L84.3Confident80.6Confident60 Ų6067.4 Ų67.431%0.31434%0.337SS..G310 helixtrans-80.6-12.8179.8-65.4178.6000113.7K36 P37 I41 L69K36-L39 HydrophobicContact CB-CD1 3.83Å; K36-L39 HydrophobicContact CB-CG 4.16Å; K36-L39 HydrophobicContact CD-CD1 3.92Å; K36-L39 HydrophobicContact CG-CD1 4.49Å; K36-L39 PolarHBondContact O-N 3.4Å; K36-L39 VanDerWaalsContact O-N 3.13Å; P37-L39 PolarHBondContact O-N 3.28Å; L39-I41 VanDerWaalsContact C-N 3.3Å; L39-I41 HydrophobicContact CB-CD1 3.85Å; L39-I41 HydrophobicContact CB-CG1 4.01Å; L39-I41 HydrophobicContact CD1-CD1 4.08Å; L39-I41 PolarHBondContact O-N 3.11Å; L39-L69 HydrophobicContact CD1-CD2 4Å
40N81.2Confident79Confident139 Ų13975.9 Ų75.974%0.74337%0.374SS*.  trans49.644178.8-58.7-55.8000114.1P37 H38P37-N40 PolarHBondContact O-N 2.95Å; H38-N40 PolarHBondContact O-ND2 3.5Å
41I80.8Confident77.3Confident27 Ų2776.2 Ų76.214%0.13840%0.398CS..  trans-84.2127.6-178.5-68.1168.6000110.3I33 L39 T46 V65 L69I33-I41 HydrophobicContact CD1-CG2 4.21Å; I33-I41 HydrophobicContact CG1-CB 4.49Å; I33-I41 HydrophobicContact CG1-CG2 4.41Å; L39-I41 VanDerWaalsContact C-N 3.3Å; L39-I41 HydrophobicContact CB-CD1 3.85Å; L39-I41 HydrophobicContact CB-CG1 4.01Å; L39-I41 HydrophobicContact CD1-CD1 4.08Å; L39-I41 PolarHBondContact O-N 3.11Å; I41-T46 HydrophobicContact CG2-CG2 3.8Å; I41-V65 HydrophobicContact CD1-CG1 3.81Å; I41-V65 HydrophobicContact CG1-CG1 4.17Å; I41-V65 HydrophobicContact CG2-CG1 3.61Å; I41-L69 HydrophobicContact CD1-CD1 3.69Å; I41-L69 HydrophobicContact CD1-CD2 3.69Å; I41-L69 HydrophobicContact CD1-CG 3.46Å; I41-L69 VanDerWaalsContact CD1-CG 3.46Å; I41-L69 HydrophobicContact CG2-CD1 4.38Å
42E74.9Confident75.8Confident131 Ų13176.7 Ų76.761%0.61240%0.401SS*.  trans-88.8147.7173-63.9-173.4177.100111.8S44 M45E42-S44 PolarHBondContact O-N 3.27Å; E42-M45 HydrophobicContact CB-CG 4.25Å; E42-M45 HydrophobicContact CB-SD 4.21Å; E42-M45 WeakPolarHBondContact O-CB 3.38Å; E42-M45 PolarHBondContact O-N 3.37Å
43H67.8Low74.2Confident105 Ų10583.5 Ų83.549%0.48643%0.427SS..G310 helixtrans-56.7-35-180-75.9-62.5000114.1E30 M45 T46E30-H43 VanDerWaalsContact CG-CE1 3.47Å; E30-H43 WeakPolarHBondContact CG-CE1 3.31Å; H43-M45 PolarHBondContact O-N 3.5Å; H43-M45 VanDerWaalsContact O-N 3.09Å; H43-T46 PolarHBondContact O-N 3.38Å; H43-T46 VanDerWaalsContact O-N 3.16Å; H43-T46 PolarHBondContact O-OG1 2.92Å
44S66.3Low72.9Confident91 Ų9186.6 Ų86.664%0.63644%0.437SS*.G310 helixtrans-59.9-18.2178.356.60000113.7E42E42-S44 PolarHBondContact O-N 3.27Å
45M69.3Low71.7Confident89 Ų8981 Ų8144%0.43842%0.423SS..G310 helixtrans-90-3.9-177.6-54.2176.966.600113.5E42 H43 V65E42-M45 HydrophobicContact CB-CG 4.25Å; E42-M45 HydrophobicContact CB-SD 4.21Å; E42-M45 WeakPolarHBondContact O-CB 3.38Å; E42-M45 PolarHBondContact O-N 3.37Å; H43-M45 PolarHBondContact O-N 3.5Å; H43-M45 VanDerWaalsContact O-N 3.09Å; M45-V65 HydrophobicContact CB-CG2 4.25Å; M45-V65 HydrophobicContact CE-CG2 4.15Å
46T67.4Low70.6Confident6 Ų678.4 Ų78.44%0.03742%0.417CS..SBendtrans-114.2-10-164.363.10000115.1M29 I41 H43 V62 V65M29-T46 HydrophobicContact CG-CG2 3.69Å; M29-T46 HydrophobicContact SD-CG2 3.96Å; I41-T46 HydrophobicContact CG2-CG2 3.8Å; H43-T46 PolarHBondContact O-N 3.38Å; H43-T46 VanDerWaalsContact O-N 3.16Å; H43-T46 PolarHBondContact O-OG1 2.92Å; T46-V62 WeakPolarHBondContact O-CG1 3.12Å; T46-V65 HydrophobicContact CG2-CG1 4.02Å
47A72.6Confident69.6Low20 Ų2082.6 Ų82.617%0.16544%0.44CS..  trans-158.5159.617900000112.5
48I66.2Low68.8Low3 Ų381.6 Ų81.62%0.01543%0.427CS..  trans-96.4103.7175.3-55.1172000108.8Q52 R54 C59 K260 V291 F292 C293I48-Q52 HydrophobicContact CG2-CB 3.81Å; I48-R54 HydrophobicContact CD1-CB 4.03Å; I48-R54 HydrophobicContact CD1-CG 4.04Å; I48-R54 HydrophobicContact CG1-CG 4.07Å; I48-R54 HydrophobicContact CG2-CG 3.94Å; I48-C59 HydrophobicContact CD1-CB 4.49Å; I48-C59 VanDerWaalsContact CD1-SG 3.5Å; I48-K260 HydrophobicContact CG2-CD 4.22Å; I48-K260 PolarHBondContact O-NZ 2.73Å; I48-V291 WeakPolarHBondContact CB-O 3.3Å; I48-V291 HydrophobicContact CD1-CG1 3.9Å; I48-V291 HydrophobicContact CG1-CG1 4.21Å; I48-V291 PolarHBondContact N-O 2.96Å; I48-F292 HydrophobicContact CD1-CD1 4.16Å; I48-F292 HydrophobicContact CD1-CE1 4.06Å; I48-C293 PolarHBondContact O-SG 3.2Å; I48-C293 VanDerWaalsContact O-SG 3.42Å
49G61Low68.1Low24 Ų2475.4 Ų75.425%0.24740%0.4CS..  trans-59.4165.5-174.300000114.8G51 Q52G49-G51 PolarHBondContact O-N 3.4Å; G49-Q52 WeakPolarHBondContact O-CB 3.38Å; G49-Q52 PolarHBondContact O-N 3.4Å; G49-Q52 VanDerWaalsContact O-N 3.11Å
50K57.7Low67.6Low179 Ų17974.4 Ų74.478%0.77839%0.393SS*.THydrogen-bonded Turntrans-58.6128174.9-73.2-172.2177.1-174.90110.3Q52K50-Q52 VanDerWaalsContact C-N 3.31Å; K50-Q52 PolarHBondContact O-N 2.95Å
51G54.8Low67.4Low83 Ų8372.6 Ų72.686%0.85638%0.38SS*.THydrogen-bonded Turntrans82.7-3.5-17900000115.5G49G49-G51 PolarHBondContact O-N 3.4Å
52Q60.8Low67.4Low87 Ų8772 Ų7241%0.40738%0.377SS..  trans-85.8136.7173.8-64.7-177.5-10.900110.5I48 G49 K50I48-Q52 HydrophobicContact CG2-CB 3.81Å; G49-Q52 WeakPolarHBondContact O-CB 3.38Å; G49-Q52 PolarHBondContact O-N 3.4Å; G49-Q52 VanDerWaalsContact O-N 3.11Å; K50-Q52 VanDerWaalsContact C-N 3.31Å; K50-Q52 PolarHBondContact O-N 2.95Å
53R59Low67.7Low143 Ų14367.3 Ų67.354%0.5436%0.355SS..  trans-112.3142167.4-65.9-179.6178.1-161.5-8.4107.6P265R53-P265 PolarHBondContact NH2-O 2.99Å
54R62.4Low68.4Low96 Ų9667.4 Ų67.436%0.36235%0.354SS..  trans-134.4155.7-178.5-71.1-66.8-175.9-168.4-0.3109.4I48 E58 K260 Q262I48-R54 HydrophobicContact CD1-CB 4.03Å; I48-R54 HydrophobicContact CD1-CG 4.04Å; I48-R54 HydrophobicContact CG1-CG 4.07Å; I48-R54 HydrophobicContact CG2-CG 3.94Å; R54-E58 WeakPolarHBondContact CA-OE2 3.38Å; R54-E58 HydrophobicContact CB-CB 3.86Å; R54-E58 WeakPolarHBondContact CB-OE2 3.34Å; R54-E58 WeakPolarHBondContact CD-OE1 3.49Å; R54-E58 WeakPolarHBondContact CD-OE2 3.27Å; R54-E58 HydrophobicContact CG-CB 4.25Å; R54-E58 IonicContact CZ-OE1 3.94Å; R54-E58 IonicContact NE-OE1 3.29Å; R54-E58 IonicContact NH1-OE1 2.86Å; R54-E58 PolarHBondContact NH1-OE1 3.1Å; R54-E58 IonicContact NH1-OE2 3.17Å; R54-K260 PolarHBondContact N-O 3.32Å; R54-Q262 VanDerWaalsContact C-NE2 3.33Å; R54-Q262 PolarHBondContact O-NE2 3.38Å
55T66.2Low69.3Low61 Ų6163.9 Ų63.937%0.37433%0.329SS..  trans-72.9163.4167.463.70000109.6D57 E58 C59T55-D57 PolarHBondContact O-N 3.32Å; T55-E58 PolarHBondContact N-OE2 3.05Å; T55-E58 PolarHBondContact O-N 3.44Å; T55-E58 WeakPolarHBondContact OG1-CG 3.45Å; T55-E58 PolarHBondContact OG1-N 3.18Å; T55-C59 PolarHBondContact O-N 2.82Å; T55-C59 VanDerWaalsContact O-N 3.16Å; T55-C59 PolarHBondContact O-SG 3.44Å
56L67.3Low70.2Confident55 Ų5559.7 Ų59.729%0.28831%0.308SS..Hα-helixtrans-55.9-39.7172.2-73.6170.5000111.3E58 C59 F60 V206L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 2.93Å; L56-C59 WeakPolarHBondContact O-CA 3.38Å; L56-C59 VanDerWaalsContact O-CB 3.31Å; L56-C59 WeakPolarHBondContact O-CB 3.3Å; L56-C59 PolarHBondContact O-N 3.02Å; L56-F60 HydrophobicContact CB-CE2 4.41Å; L56-F60 WeakPolarHBondContact O-CD2 3.48Å; L56-F60 PolarHBondContact O-N 3.41Å; L56-V206 HydrophobicContact CD1-CG1 3.67Å
57D69.3Low71.1Confident108 Ų10862 Ų6258%0.57832%0.318SS*.Hα-helixtrans-56.8-44.7175.9-60.7-24.8000112.6T55 C59 F60 E61T55-D57 PolarHBondContact O-N 3.32Å; D57-C59 VanDerWaalsContact C-N 3.29Å; D57-C59 PolarHBondContact O-N 2.89Å; D57-F60 WeakPolarHBondContact O-CB 3.24Å; D57-F60 PolarHBondContact O-N 3.01Å; D57-F60 VanDerWaalsContact O-N 3.17Å; D57-E61 PolarHBondContact O-N 2.79Å; D57-E61 VanDerWaalsContact O-N 3.15Å
58E69.9Low71.8Confident70 Ų7067.5 Ų67.533%0.32734%0.338SS..Hα-helixtrans-67.7-29.5177.6-72176.2126.600112.2R54 T55 L56 E61R54-E58 WeakPolarHBondContact CA-OE2 3.38Å; R54-E58 HydrophobicContact CB-CB 3.86Å; R54-E58 WeakPolarHBondContact CB-OE2 3.34Å; R54-E58 WeakPolarHBondContact CD-OE1 3.49Å; R54-E58 WeakPolarHBondContact CD-OE2 3.27Å; R54-E58 HydrophobicContact CG-CB 4.25Å; R54-E58 IonicContact CZ-OE1 3.94Å; R54-E58 IonicContact NE-OE1 3.29Å; R54-E58 IonicContact NH1-OE1 2.86Å; R54-E58 PolarHBondContact NH1-OE1 3.1Å; R54-E58 IonicContact NH1-OE2 3.17Å; T55-E58 PolarHBondContact N-OE2 3.05Å; T55-E58 PolarHBondContact O-N 3.44Å; T55-E58 WeakPolarHBondContact OG1-CG 3.45Å; T55-E58 PolarHBondContact OG1-N 3.18Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 2.93Å; E58-E61 PolarHBondContact O-N 3.36Å
59C70.7Confident72.8Confident7 Ų767.3 Ų67.35%0.04734%0.337CS..Hα-helixtrans-66.2-41.5171.3-57.20000110.5I48 T55 L56 D57 E61 V62 F63I48-C59 HydrophobicContact CD1-CB 4.49Å; I48-C59 VanDerWaalsContact CD1-SG 3.5Å; T55-C59 PolarHBondContact O-N 2.82Å; T55-C59 VanDerWaalsContact O-N 3.16Å; T55-C59 PolarHBondContact O-SG 3.44Å; L56-C59 WeakPolarHBondContact O-CA 3.38Å; L56-C59 VanDerWaalsContact O-CB 3.31Å; L56-C59 WeakPolarHBondContact O-CB 3.3Å; L56-C59 PolarHBondContact O-N 3.02Å; D57-C59 VanDerWaalsContact C-N 3.29Å; D57-C59 PolarHBondContact O-N 2.89Å; C59-E61 VanDerWaalsContact C-N 3.28Å; C59-E61 PolarHBondContact O-N 3.36Å; C59-V62 WeakPolarHBondContact O-CB 3.39Å; C59-V62 PolarHBondContact O-N 3.06Å; C59-V62 VanDerWaalsContact O-N 3.11Å; C59-F63 WeakPolarHBondContact O-CD2 3.4Å; C59-F63 PolarHBondContact O-N 2.73Å
60F74.9Confident74.3Confident38 Ų3866.2 Ų66.217%0.16733%0.326CS..Hα-helixtrans-63.4-29.1175.7-70.3-57.2000113.7L56 D57 V62 F63 K64 D176L56-F60 HydrophobicContact CB-CE2 4.41Å; L56-F60 WeakPolarHBondContact O-CD2 3.48Å; L56-F60 PolarHBondContact O-N 3.41Å; D57-F60 WeakPolarHBondContact O-CB 3.24Å; D57-F60 PolarHBondContact O-N 3.01Å; D57-F60 VanDerWaalsContact O-N 3.17Å; F60-V62 VanDerWaalsContact C-N 3.33Å; F60-F63 HydrophobicContact CD1-CD2 4.32Å; F60-F63 PolarHBondContact O-N 3.09Å; F60-K64 PolarHBondContact O-N 2.89Å; F60-D176 HydrophobicContact CE2-CB 4.16Å; F60-D176 HydrophobicContact CZ-CB 4.06Å
61E76.9Confident75.8Confident102 Ų10259.2 Ų59.248%0.47730%0.297SS..Hα-helixtrans-64.8-36.2172.5-67.3-54.6135.500112.5D57 E58 C59 F63 K64 V65D57-E61 PolarHBondContact O-N 2.79Å; D57-E61 VanDerWaalsContact O-N 3.15Å; E58-E61 PolarHBondContact O-N 3.36Å; C59-E61 VanDerWaalsContact C-N 3.28Å; C59-E61 PolarHBondContact O-N 3.36Å; E61-F63 PolarHBondContact O-N 2.66Å; E61-K64 WeakPolarHBondContact O-CB 3.36Å; E61-K64 PolarHBondContact O-N 3.34Å; E61-K64 IonicContact OE1-NZ 2.7Å; E61-K64 PolarHBondContact OE1-NZ 2.9Å; E61-K64 WeakPolarHBondContact OE2-CD 3.09Å; E61-K64 IonicContact OE2-NZ 3.06Å; E61-K64 PolarHBondContact OE2-NZ 3.29Å; E61-V65 PolarHBondContact O-N 3.37Å
62V79.3Confident77.6Confident13 Ų1357 Ų578%0.07927%0.267CS..Hα-helixtrans-61.7-45.8175.11800000110.1T46 C59 F60 K64 V65 I66 V291T46-V62 WeakPolarHBondContact O-CG1 3.12Å; C59-V62 WeakPolarHBondContact O-CB 3.39Å; C59-V62 PolarHBondContact O-N 3.06Å; C59-V62 VanDerWaalsContact O-N 3.11Å; F60-V62 VanDerWaalsContact C-N 3.33Å; V62-K64 VanDerWaalsContact C-N 3.26Å; V62-K64 PolarHBondContact O-N 3.31Å; V62-V65 WeakPolarHBondContact O-CB 3.34Å; V62-V65 PolarHBondContact O-N 3.28Å; V62-I66 HydrophobicContact CG1-CD1 4.05Å; V62-I66 HydrophobicContact CG1-CG1 4.37Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.18Å; V62-V291 HydrophobicContact CG1-CG1 4.48Å; V62-V291 HydrophobicContact CG1-CG2 4.04Å
63F82.4Confident79.2Confident34 Ų3457 Ų5715%0.14927%0.267CS..Hα-helixtrans-58-35.8176.9-76.2-74.8000113.3N21 C59 F60 E61 V65 I66 H67 D288 V291N21-F63 HydrophobicContact CB-CD1 4.49Å; C59-F63 WeakPolarHBondContact O-CD2 3.4Å; C59-F63 PolarHBondContact O-N 2.73Å; F60-F63 HydrophobicContact CD1-CD2 4.32Å; F60-F63 PolarHBondContact O-N 3.09Å; E61-F63 PolarHBondContact O-N 2.66Å; F63-V65 VanDerWaalsContact C-N 3.27Å; F63-V65 PolarHBondContact O-N 3.25Å; F63-I66 PolarHBondContact O-N 2.94Å; F63-H67 WeakPolarHBondContact O-CB 3.11Å; F63-H67 PolarHBondContact O-CD2 3.24Å; F63-H67 PolarHBondContact O-N 3.23Å; F63-D288 WeakPolarHBondContact CZ-OD1 3.44Å; F63-V291 HydrophobicContact CZ-CG2 4.39Å
64K82.8Confident80.9Confident107 Ų10756.2 Ų56.247%0.46527%0.269SS..Hα-helixtrans-62-36.6175.3-67.5176.7-172170.60112.1F60 E61 V62 K68F60-K64 PolarHBondContact O-N 2.89Å; E61-K64 WeakPolarHBondContact O-CB 3.36Å; E61-K64 PolarHBondContact O-N 3.34Å; E61-K64 IonicContact OE1-NZ 2.7Å; E61-K64 PolarHBondContact OE1-NZ 2.9Å; E61-K64 WeakPolarHBondContact OE2-CD 3.09Å; E61-K64 IonicContact OE2-NZ 3.06Å; E61-K64 PolarHBondContact OE2-NZ 3.29Å; V62-K64 VanDerWaalsContact C-N 3.26Å; V62-K64 PolarHBondContact O-N 3.31Å; K64-K68 WeakPolarHBondContact O-CG 3.44Å; K64-K68 PolarHBondContact O-N 3.12Å
65V84.9Confident82.5Confident17 Ų1751.7 Ų51.710%0.10325%0.252CS..Hα-helixtrans-69.6-44.2176.3-179.10000110.3I41 M45 T46 E61 V62 F63 H67 K68 L69I41-V65 HydrophobicContact CD1-CG1 3.81Å; I41-V65 HydrophobicContact CG1-CG1 4.17Å; I41-V65 HydrophobicContact CG2-CG1 3.61Å; M45-V65 HydrophobicContact CB-CG2 4.25Å; M45-V65 HydrophobicContact CE-CG2 4.15Å; T46-V65 HydrophobicContact CG2-CG1 4.02Å; E61-V65 PolarHBondContact O-N 3.37Å; V62-V65 WeakPolarHBondContact O-CB 3.34Å; V62-V65 PolarHBondContact O-N 3.28Å; F63-V65 VanDerWaalsContact C-N 3.27Å; F63-V65 PolarHBondContact O-N 3.25Å; V65-H67 PolarHBondContact O-N 3.48Å; V65-K68 PolarHBondContact O-N 3.39Å; V65-L69 HydrophobicContact CG1-CD1 4.37Å; V65-L69 PolarHBondContact O-N 2.87Å; V65-L69 VanDerWaalsContact O-N 3.15Å
66I86.8Confident83.9Confident1 Ų148.9 Ų48.91%0.00524%0.235CC..Hα-helixtrans-61.9-44.2178.1-58.1-176.9000110.9N21 V24 M29 V62 F63 K68 L69 V70 V291N21-I66 HydrophobicContact CB-CG2 4.04Å; N21-I66 WeakPolarHBondContact O-CD1 3.36Å; V24-I66 HydrophobicContact CG2-CG2 4.04Å; M29-I66 HydrophobicContact CE-CD1 3.97Å; M29-I66 HydrophobicContact CE-CG1 3.67Å; V62-I66 HydrophobicContact CG1-CD1 4.05Å; V62-I66 HydrophobicContact CG1-CG1 4.37Å; V62-I66 WeakPolarHBondContact O-CG1 3.45Å; V62-I66 PolarHBondContact O-N 3.18Å; F63-I66 PolarHBondContact O-N 2.94Å; I66-K68 VanDerWaalsContact C-N 3.28Å; I66-K68 PolarHBondContact O-N 2.95Å; I66-L69 CarbonylContact O-C 3.56Å; I66-L69 WeakPolarHBondContact O-CA 3.48Å; I66-L69 PolarHBondContact O-N 3.41Å; I66-V70 HydrophobicContact CG2-CG2 4.11Å; I66-V70 WeakPolarHBondContact O-CG2 3.43Å; I66-V70 PolarHBondContact O-N 3.42Å; I66-V291 HydrophobicContact CD1-CG2 4.17Å
67H87.8Confident85.4Confident55 Ų5548 Ų4826%0.25523%0.231SC..Hα-helixtrans-62.7-33.8179.3-68.6172.7000113.1F63 V65 L69 V70 R102F63-H67 WeakPolarHBondContact O-CB 3.11Å; F63-H67 PolarHBondContact O-CD2 3.24Å; F63-H67 PolarHBondContact O-N 3.23Å; V65-H67 PolarHBondContact O-N 3.48Å; H67-L69 VanDerWaalsContact C-N 3.33Å; H67-V70 CarbonylContact O-C 3.57Å; H67-V70 VanDerWaalsContact O-O 3.13Å; H67-R102 PolarHBondContact O-NH1 3.45Å
68K86.7Confident86.8Confident134 Ų13445.2 Ų45.258%0.58322%0.215SC*.Hα-helixtrans-68.5-31.5171.9-71.3174.7-179.7-179.10112.9K64 V65 I66K64-K68 WeakPolarHBondContact O-CG 3.44Å; K64-K68 PolarHBondContact O-N 3.12Å; V65-K68 PolarHBondContact O-N 3.39Å; I66-K68 VanDerWaalsContact C-N 3.28Å; I66-K68 PolarHBondContact O-N 2.95Å
69L87.9Confident88.1Confident0 Ų042 Ų420%020%0.199CC..Hα-helixtrans-82.3-23.9178.6-78.7170.6000113M29 L32 I33 K36 L39 I41 V65 I66 H67M29-L69 HydrophobicContact CG-CD1 4.38Å; M29-L69 HydrophobicContact SD-CD1 3.27Å; M29-L69 WeakPolarHBondContact SD-CD1 3.42Å; L32-L69 HydrophobicContact CB-CB 4.26Å; L32-L69 HydrophobicContact CB-CD2 4.24Å; L32-L69 HydrophobicContact CD1-CB 4.3Å; I33-L69 HydrophobicContact CG1-CD1 3.95Å; I33-L69 HydrophobicContact CG1-CD2 4.2Å; K36-L69 HydrophobicContact CB-CD2 4.35Å; K36-L69 HydrophobicContact CD-CD2 4.4Å; K36-L69 PolarHBondContact NZ-O 3.12Å; L39-L69 HydrophobicContact CD1-CD2 4Å; I41-L69 HydrophobicContact CD1-CD1 3.69Å; I41-L69 HydrophobicContact CD1-CD2 3.69Å; I41-L69 HydrophobicContact CD1-CG 3.46Å; I41-L69 VanDerWaalsContact CD1-CG 3.46Å; I41-L69 HydrophobicContact CG2-CD1 4.38Å; V65-L69 HydrophobicContact CG1-CD1 4.37Å; V65-L69 PolarHBondContact O-N 2.87Å; V65-L69 VanDerWaalsContact O-N 3.15Å; I66-L69 CarbonylContact O-C 3.56Å; I66-L69 WeakPolarHBondContact O-CA 3.48Å; I66-L69 PolarHBondContact O-N 3.41Å; H67-L69 VanDerWaalsContact C-N 3.33Å
70V90.9Very high89.4Confident1 Ų141.6 Ų41.61%0.00620%0.197CC..  trans-115.979.5-178.6-173.70000107.8L32 I66 H67 D75 I76 V79 R102L32-V70 HydrophobicContact CD1-CG2 3.72Å; I66-V70 HydrophobicContact CG2-CG2 4.11Å; I66-V70 WeakPolarHBondContact O-CG2 3.43Å; I66-V70 PolarHBondContact O-N 3.42Å; H67-V70 CarbonylContact O-C 3.57Å; H67-V70 VanDerWaalsContact O-O 3.13Å; V70-D75 HydrophobicContact CG1-CB 4.22Å; V70-I76 HydrophobicContact CG1-CG1 3.69Å; V70-V79 HydrophobicContact CG2-CG2 3.93Å; V70-R102 PolarHBondContact O-NH1 3.09Å; V70-R102 PolarHBondContact O-NH2 3.19Å
71D89.1Confident90.6Very high32 Ų3240.4 Ų40.417%0.17119%0.193CC..  trans-126.98-173.565.30.2000113.3K36 T107K36-D71 IonicContact NZ-OD1 3.98Å; K36-D71 PolarHBondContact NZ-OD1 3.23Å; K36-D71 IonicContact NZ-OD2 3.24Å; D71-T107 HydrophobicContact CB-CG2 4.38Å; D71-T107 PolarHBondContact O-OG1 2.76Å
72T92.5Very high91.6Very high36 Ų3636.9 Ų36.922%0.22118%0.177CC..SBendtrans-130159.2174.2720000111.1E74 D75 I76T72-E74 VanDerWaalsContact C-N 3.29Å; T72-E74 PolarHBondContact O-N 2.83Å; T72-D75 PolarHBondContact O-N 2.8Å; T72-D75 PolarHBondContact OG1-N 3.24Å; T72-D75 PolarHBondContact OG1-OD2 3.43Å; T72-I76 WeakPolarHBondContact O-CD1 3.27Å; T72-I76 WeakPolarHBondContact O-CG1 2.97Å; T72-I76 PolarHBondContact O-N 2.91Å
73E95.1Very high92.5Very high87 Ų8736.2 Ų36.241%0.40717%0.173SC..Hα-helixtrans-58.6-40.2174.2-64.8172.9-174.600111.5D75 I76 L77 L110 S114 T118E73-D75 VanDerWaalsContact C-N 3.3Å; E73-D75 PolarHBondContact O-N 3.41Å; E73-I76 PolarHBondContact O-N 2.86Å; E73-L77 WeakPolarHBondContact O-CB 3.5Å; E73-L77 PolarHBondContact O-N 2.83Å; E73-L110 HydrophobicContact CG-CD1 3.78Å; E73-S114 WeakPolarHBondContact OE1-CB 3.23Å; E73-S114 PolarHBondContact OE1-OG 3.36Å; E73-T118 HydrophobicContact CB-CG2 4.28Å; E73-T118 WeakPolarHBondContact O-CG2 3.25Å
74E95.1Very high93.3Very high127 Ų12734.6 Ų34.659%0.59317%0.166SC*.Hα-helixtrans-59.6-39.8176.2-66.5-175.9-173.400112.8R35 T72 M78R35-E74 IonicContact CZ-OE2 2.99Å; R35-E74 IonicContact NH1-OE2 3.14Å; R35-E74 IonicContact NH2-OE2 3.86Å; R35-E74 PolarHBondContact NH2-OE2 2.57Å; T72-E74 VanDerWaalsContact C-N 3.29Å; T72-E74 PolarHBondContact O-N 2.83Å; E74-M78 WeakPolarHBondContact O-CB 3.23Å; E74-M78 PolarHBondContact O-N 2.87Å
75D95.1Very high94.1Very high1 Ų133.1 Ų33.11%0.00516%0.16CC..Hα-helixtrans-72.3-37.6179.1-56.5-47.3000111.1L32 R35 K36 V70 T72 E73 M78 V79L32-D75 HydrophobicContact CD2-CB 3.88Å; R35-D75 IonicContact CZ-OD1 3.15Å; R35-D75 IonicContact NE-OD1 3.43Å; R35-D75 PolarHBondContact NE-OD1 2.62Å; R35-D75 VanDerWaalsContact NE-OD1 3.09Å; R35-D75 IonicContact NH2-OD1 3.71Å; R35-D75 PolarHBondContact NH2-OD1 3.32Å; K36-D75 WeakPolarHBondContact CE-OD2 3.14Å; K36-D75 IonicContact NZ-OD2 3.14Å; K36-D75 PolarHBondContact NZ-OD2 3.47Å; V70-D75 HydrophobicContact CG1-CB 4.22Å; T72-D75 PolarHBondContact O-N 2.8Å; T72-D75 PolarHBondContact OG1-N 3.24Å; T72-D75 PolarHBondContact OG1-OD2 3.43Å; E73-D75 VanDerWaalsContact C-N 3.3Å; E73-D75 PolarHBondContact O-N 3.41Å; D75-M78 PolarHBondContact O-N 2.98Å; D75-V79 VanDerWaalsContact O-CB 3.31Å; D75-V79 WeakPolarHBondContact O-CB 3.31Å; D75-V79 VanDerWaalsContact O-CG2 3.27Å; D75-V79 WeakPolarHBondContact O-CG2 3.38Å; D75-V79 PolarHBondContact O-N 2.52Å
76I97.2Very high94.7Very high1 Ų134.6 Ų34.61%0.00517%0.165CC..Hα-helixtrans-63.7-45.9175.3-64.8157.9000110.2V70 T72 E73 M78 V79 A80 L110 Y115 T118 V119V70-I76 HydrophobicContact CG1-CG1 3.69Å; T72-I76 WeakPolarHBondContact O-CD1 3.27Å; T72-I76 WeakPolarHBondContact O-CG1 2.97Å; T72-I76 PolarHBondContact O-N 2.91Å; E73-I76 PolarHBondContact O-N 2.86Å; I76-M78 PolarHBondContact O-N 3.45Å; I76-V79 PolarHBondContact O-N 2.97Å; I76-A80 VanDerWaalsContact O-CB 3.31Å; I76-A80 WeakPolarHBondContact O-CB 3.33Å; I76-A80 PolarHBondContact O-N 2.79Å; I76-L110 HydrophobicContact CD1-CD1 3.69Å; I76-L110 HydrophobicContact CD1-CD2 3.99Å; I76-Y115 HydrophobicContact CD1-CD2 3.29Å; I76-Y115 HydrophobicContact CD1-CE2 3.48Å; I76-Y115 VanDerWaalsContact CD1-CE2 3.48Å; I76-Y115 HydrophobicContact CD1-CG 4.14Å; I76-Y115 HydrophobicContact CG1-CD2 4.14Å; I76-Y115 HydrophobicContact CG1-CE2 3.81Å; I76-Y115 HydrophobicContact CG2-CE2 4.38Å; I76-T118 HydrophobicContact CB-CG2 3.86Å; I76-T118 HydrophobicContact CG2-CG2 3.75Å; I76-V119 HydrophobicContact CG2-CG2 3.73Å
77L98.1Very high95.3Very high38 Ų3834.6 Ų34.620%0.19917%0.165CC..Hα-helixtrans-60.1-46.3177.9-179.159.5000111.1E73 T81 T118 E121 A122E73-L77 WeakPolarHBondContact O-CB 3.5Å; E73-L77 PolarHBondContact O-N 2.83Å; L77-T81 VanDerWaalsContact O-CB 3.24Å; L77-T81 WeakPolarHBondContact O-CB 3.25Å; L77-T81 PolarHBondContact O-N 2.98Å; L77-T81 PolarHBondContact O-OG1 3.16Å; L77-T118 HydrophobicContact CB-CG2 3.76Å; L77-E121 HydrophobicContact CD1-CB 4.45Å; L77-E121 HydrophobicContact CD1-CG 4.17Å; L77-A122 HydrophobicContact CD1-CB 3.72Å
78M97.9Very high95.8Very high49 Ų4932.8 Ų32.824%0.24116%0.16CC..Hα-helixtrans-59-51.4175.9179.5-179.3-57.300111.3K31 E74 D75 I76 T81 D82K31-M78 HydrophobicContact CB-SD 4Å; K31-M78 HydrophobicContact CD-SD 4.27Å; E74-M78 WeakPolarHBondContact O-CB 3.23Å; E74-M78 PolarHBondContact O-N 2.87Å; D75-M78 PolarHBondContact O-N 2.98Å; I76-M78 PolarHBondContact O-N 3.45Å; M78-T81 PolarHBondContact O-N 3.41Å; M78-D82 WeakPolarHBondContact O-CB 3.36Å; M78-D82 PolarHBondContact O-N 3.03Å
79V98.1Very high96.4Very high1 Ų130.8 Ų30.81%0.00617%0.168CC..Hα-helixtrans-63.2-48-177.2163.50000111.5L20 V24 T28 L32 V70 D75 I76 T81 D82 V83L20-V79 HydrophobicContact CD1-CG1 3.68Å; L20-V79 HydrophobicContact CG-CG1 4.14Å; V24-V79 HydrophobicContact CG2-CG1 3.62Å; V24-V79 HydrophobicContact CG2-CG2 4.3Å; T28-V79 HydrophobicContact CG2-CG2 3.93Å; L32-V79 HydrophobicContact CD1-CG2 3.78Å; L32-V79 HydrophobicContact CD2-CG2 4.28Å; L32-V79 HydrophobicContact CG-CG2 4.43Å; V70-V79 HydrophobicContact CG2-CG2 3.93Å; D75-V79 VanDerWaalsContact O-CB 3.31Å; D75-V79 WeakPolarHBondContact O-CB 3.31Å; D75-V79 VanDerWaalsContact O-CG2 3.27Å; D75-V79 WeakPolarHBondContact O-CG2 3.38Å; D75-V79 PolarHBondContact O-N 2.52Å; I76-V79 PolarHBondContact O-N 2.97Å; V79-T81 VanDerWaalsContact C-N 3.35Å; V79-T81 PolarHBondContact O-N 2.72Å; V79-D82 PolarHBondContact O-N 3.44Å; V79-V83 HydrophobicContact CG1-CG2 4.35Å; V79-V83 WeakPolarHBondContact O-CB 3.38Å; V79-V83 VanDerWaalsContact O-CG2 3.24Å; V79-V83 WeakPolarHBondContact O-CG2 2.9Å; V79-V83 PolarHBondContact O-N 3.36Å
80A98.7Very high96.9Very high0 Ų031.5 Ų31.50%017%0.172CC..Hα-helixtrans-62.2-42.7178.700000111.8L20 I76 V83 I84 A122L20-A80 HydrophobicContact CD1-CB 4.03Å; L20-A80 HydrophobicContact CD2-CB 4.2Å; I76-A80 VanDerWaalsContact O-CB 3.31Å; I76-A80 WeakPolarHBondContact O-CB 3.33Å; I76-A80 PolarHBondContact O-N 2.79Å; A80-V83 PolarHBondContact O-N 3.46Å; A80-I84 WeakPolarHBondContact O-CB 3.19Å; A80-I84 WeakPolarHBondContact O-CD1 3.48Å; A80-I84 WeakPolarHBondContact O-CG1 3.5Å; A80-I84 PolarHBondContact O-N 2.84Å; A80-A122 HydrophobicContact CB-CB 3.43Å; A80-A122 VanDerWaalsContact CB-CB 3.43Å
81T98.8Very high97.2Very high12 Ų1233 Ų337%0.07418%0.18CC..Hα-helixtrans-63.1-47.5177.3-58.80000111.8L77 M78 V79 K85L77-T81 VanDerWaalsContact O-CB 3.24Å; L77-T81 WeakPolarHBondContact O-CB 3.25Å; L77-T81 PolarHBondContact O-N 2.98Å; L77-T81 PolarHBondContact O-OG1 3.16Å; M78-T81 PolarHBondContact O-N 3.41Å; V79-T81 VanDerWaalsContact C-N 3.35Å; V79-T81 PolarHBondContact O-N 2.72Å; T81-K85 HydrophobicContact CG2-CD 4.05Å; T81-K85 WeakPolarHBondContact O-CB 3.24Å; T81-K85 WeakPolarHBondContact O-CG 3.26Å; T81-K85 PolarHBondContact O-N 3.25Å
82D98.6Very high97.7Very high28 Ų2831.4 Ų31.415%0.1517%0.172CC..Hα-helixtrans-63.6-45.7178.9-79.6-21000111T28 K31 M78 V79 I84 K85 E86T28-D82 HydrophobicContact CG2-CB 4.16Å; T28-D82 WeakPolarHBondContact OG1-CB 3.45Å; T28-D82 PolarHBondContact OG1-OD2 3.25Å; K31-D82 IonicContact NZ-OD1 3.31Å; K31-D82 PolarHBondContact NZ-OD1 3.1Å; K31-D82 VanDerWaalsContact NZ-OD1 3.09Å; K31-D82 IonicContact NZ-OD2 3.22Å; K31-D82 PolarHBondContact NZ-OD2 3.09Å; M78-D82 WeakPolarHBondContact O-CB 3.36Å; M78-D82 PolarHBondContact O-N 3.03Å; V79-D82 PolarHBondContact O-N 3.44Å; D82-I84 PolarHBondContact O-N 3.49Å; D82-K85 PolarHBondContact O-N 3.31Å; D82-E86 WeakPolarHBondContact O-CB 3.43Å; D82-E86 WeakPolarHBondContact O-CG 3.44Å; D82-E86 PolarHBondContact O-N 2.75Å
83V98.8Very high98Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-59.7-46.3178.7167.20000111.7L20 V79 A80 E86 F87 L97L20-V83 HydrophobicContact CD1-CB 4.25Å; L20-V83 HydrophobicContact CD1-CG1 4.46Å; L20-V83 HydrophobicContact CD1-CG2 4.19Å; V79-V83 HydrophobicContact CG1-CG2 4.35Å; V79-V83 WeakPolarHBondContact O-CB 3.38Å; V79-V83 VanDerWaalsContact O-CG2 3.24Å; V79-V83 WeakPolarHBondContact O-CG2 2.9Å; V79-V83 PolarHBondContact O-N 3.36Å; A80-V83 PolarHBondContact O-N 3.46Å; V83-E86 PolarHBondContact O-N 2.91Å; V83-F87 HydrophobicContact CG1-CD2 3.71Å; V83-F87 HydrophobicContact CG1-CE2 3.6Å; V83-F87 VanDerWaalsContact O-CD2 3.26Å; V83-F87 WeakPolarHBondContact O-CD2 3.38Å; V83-F87 PolarHBondContact O-N 3.01Å; V83-L97 HydrophobicContact CG1-CD1 4.13Å
84I98.9Very high98.2Very high0 Ų026.3 Ų26.30%015%0.145CC..Hα-helixtrans-61.1-47.3177.9-69.7165000110.7A80 D82 E86 F87 A88 L95 I123 C126 I133 V135A80-I84 WeakPolarHBondContact O-CB 3.19Å; A80-I84 WeakPolarHBondContact O-CD1 3.48Å; A80-I84 WeakPolarHBondContact O-CG1 3.5Å; A80-I84 PolarHBondContact O-N 2.84Å; D82-I84 PolarHBondContact O-N 3.49Å; I84-E86 VanDerWaalsContact C-N 3.32Å; I84-E86 PolarHBondContact O-N 2.71Å; I84-F87 PolarHBondContact O-N 2.98Å; I84-A88 PolarHBondContact O-N 3Å; I84-L95 HydrophobicContact CG1-CD2 4.18Å; I84-I123 HydrophobicContact CD1-CG1 3.79Å; I84-C126 HydrophobicContact CG2-CB 3.81Å; I84-I133 HydrophobicContact CG2-CG2 3.67Å; I84-V135 HydrophobicContact CD1-CG1 4.35Å; I84-V135 HydrophobicContact CD1-CG2 4.41Å; I84-V135 HydrophobicContact CG1-CG1 4.42Å; I84-V135 HydrophobicContact CG1-CG2 4.27Å; I84-V135 HydrophobicContact CG2-CG2 3.83Å
85K98.8Very high98.4Very high76 Ų7620.2 Ų20.233%0.3312%0.117SC..Hα-helixtrans-62.9-39.1179.5-76176.5177.71760112.2T81 D82 A88 A89 E129 V131T81-K85 HydrophobicContact CG2-CD 4.05Å; T81-K85 WeakPolarHBondContact O-CB 3.24Å; T81-K85 WeakPolarHBondContact O-CG 3.26Å; T81-K85 PolarHBondContact O-N 3.25Å; D82-K85 PolarHBondContact O-N 3.31Å; K85-A88 PolarHBondContact O-N 3.5Å; K85-A89 WeakPolarHBondContact O-CB 3.22Å; K85-A89 PolarHBondContact O-N 3.48Å; K85-E129 WeakPolarHBondContact CE-OE2 3.37Å; K85-E129 IonicContact NZ-OE1 3.91Å; K85-E129 IonicContact NZ-OE2 3.38Å; K85-E129 PolarHBondContact NZ-OE2 2.75Å; K85-V131 HydrophobicContact CG-CG2 4.15Å
86E98.6Very high98.6Very high48 Ų4820.2 Ų20.222%0.22412%0.116CC..Hα-helixtrans-69.7-37.8177.6-69.2170.6-177.100112.4S25 T28 D82 V83 I84 A89 D90 K289S25-E86 VanDerWaalsContact CB-OE1 3.27Å; S25-E86 WeakPolarHBondContact CB-OE1 3.34Å; S25-E86 WeakPolarHBondContact CB-OE2 3.31Å; S25-E86 PolarHBondContact OG-OE1 3Å; T28-E86 PolarHBondContact OG1-OE1 3.44Å; D82-E86 WeakPolarHBondContact O-CB 3.43Å; D82-E86 WeakPolarHBondContact O-CG 3.44Å; D82-E86 PolarHBondContact O-N 2.75Å; V83-E86 PolarHBondContact O-N 2.91Å; I84-E86 VanDerWaalsContact C-N 3.32Å; I84-E86 PolarHBondContact O-N 2.71Å; E86-A89 PolarHBondContact O-N 2.57Å; E86-D90 PolarHBondContact O-N 3.48Å; E86-K289 VanDerWaalsContact OE2-CE 3.22Å; E86-K289 WeakPolarHBondContact OE2-CE 3.49Å; E86-K289 IonicContact OE2-NZ 3.58Å; E86-K289 PolarHBondContact OE2-NZ 3.3Å
87F98.9Very high98.6Very high1 Ų120.1 Ų20.10%0.00412%0.116CC..Hα-helixtrans-64.5-41.1171.5-83.4-62.1000111.6E15 A18 V83 I84 A89 D90 N91 V92 L95 I133 T286 K289E15-F87 HydrophobicContact CG-CD1 4.5Å; E15-F87 HydrophobicContact CG-CE1 3.95Å; E15-F87 HydrophobicContact CG-CZ 4.11Å; A18-F87 HydrophobicContact CB-CE2 3.81Å; A18-F87 HydrophobicContact CB-CZ 3.55Å; V83-F87 HydrophobicContact CG1-CD2 3.71Å; V83-F87 HydrophobicContact CG1-CE2 3.6Å; V83-F87 VanDerWaalsContact O-CD2 3.26Å; V83-F87 WeakPolarHBondContact O-CD2 3.38Å; V83-F87 PolarHBondContact O-N 3.01Å; I84-F87 PolarHBondContact O-N 2.98Å; F87-A89 VanDerWaalsContact C-N 3.31Å; F87-A89 PolarHBondContact O-N 3.46Å; F87-D90 CarbonylContact O-C 3.6Å; F87-D90 WeakPolarHBondContact O-CA 3.48Å; F87-D90 PolarHBondContact O-N 3.41Å; F87-D90 VanDerWaalsContact O-N 3.1Å; F87-N91 PolarHBondContact O-N 2.85Å; F87-V92 HydrophobicContact CB-CB 4.14Å; F87-V92 HydrophobicContact CB-CG2 4.18Å; F87-V92 HydrophobicContact CD1-CG2 3.92Å; F87-V92 VanDerWaalsContact O-CB 3.25Å; F87-V92 WeakPolarHBondContact O-CB 3.43Å; F87-V92 WeakPolarHBondContact O-CG2 3.27Å; F87-V92 PolarHBondContact O-N 3.2Å; F87-L95 HydrophobicContact CB-CD2 4.33Å; F87-L95 HydrophobicContact CD2-CD1 4.06Å; F87-L95 HydrophobicContact CD2-CD2 3.72Å; F87-L95 HydrophobicContact CE2-CD1 4.11Å; F87-L95 HydrophobicContact CE2-CD2 4.38Å; F87-L95 HydrophobicContact CG-CD1 4.47Å; F87-L95 HydrophobicContact CG-CD2 4.28Å; F87-I133 HydrophobicContact CB-CD1 3.91Å; F87-T286 HydrophobicContact CE1-CG2 4.28Å; F87-K289 HydrophobicContact CE1-CD 3.96Å; F87-K289 HydrophobicContact CE2-CD 4.23Å; F87-K289 HydrophobicContact CZ-CD 3.77Å; F87-K289 HydrophobicContact CZ-CG 4.3Å
88A98.8Very high98.7Very high17 Ų1718.3 Ų18.314%0.1411%0.107CC..Hα-helixtrans-62.1-39.6174.500000112.1I84 K85 D90 N91 V131 I133I84-A88 PolarHBondContact O-N 3Å; K85-A88 PolarHBondContact O-N 3.5Å; A88-D90 PolarHBondContact O-N 3.02Å; A88-N91 WeakPolarHBondContact O-CA 3.2Å; A88-N91 PolarHBondContact O-N 3.34Å; A88-V131 HydrophobicContact CB-CG1 3.4Å; A88-V131 VanDerWaalsContact CB-CG1 3.4Å; A88-I133 HydrophobicContact CB-CB 3.93Å; A88-I133 HydrophobicContact CB-CD1 4.34Å; A88-I133 HydrophobicContact CB-CG2 3.91Å
89A98.4Very high98.7Very high91 Ų9116.1 Ų16.175%0.75210%0.096SC*.Hα-helixtrans-66-26.9174.600000112.7K85 E86 F87 N91K85-A89 WeakPolarHBondContact O-CB 3.22Å; K85-A89 PolarHBondContact O-N 3.48Å; E86-A89 PolarHBondContact O-N 2.57Å; F87-A89 VanDerWaalsContact C-N 3.31Å; F87-A89 PolarHBondContact O-N 3.46Å; A89-N91 PolarHBondContact O-N 2.92Å
90D98.3Very high98.6Very high15 Ų1517.8 Ų17.88%0.0811%0.106CC..THydrogen-bonded Turntrans-83.918.4168.6-162.536.8000112.5K13 E86 F87 A88 V92 L296 S297K13-D90 WeakPolarHBondContact CE-O 3.27Å; K13-D90 PolarHBondContact NZ-O 2.9Å; E86-D90 PolarHBondContact O-N 3.48Å; F87-D90 CarbonylContact O-C 3.6Å; F87-D90 WeakPolarHBondContact O-CA 3.48Å; F87-D90 PolarHBondContact O-N 3.41Å; F87-D90 VanDerWaalsContact O-N 3.1Å; A88-D90 PolarHBondContact O-N 3.02Å; D90-V92 PolarHBondContact O-N 3.4Å; D90-V92 VanDerWaalsContact O-N 3.16Å; D90-L296 WeakPolarHBondContact OD2-CA 3.23Å; D90-L296 WeakPolarHBondContact OD2-CB 3.25Å; D90-L296 PolarHBondContact OD2-N 2.92Å; D90-S297 VanDerWaalsContact CG-OG 3.27Å; D90-S297 VanDerWaalsContact OD1-CB 3.23Å; D90-S297 WeakPolarHBondContact OD1-CB 3.18Å; D90-S297 PolarHBondContact OD1-OG 3.2Å; D90-S297 PolarHBondContact OD2-N 2.95Å; D90-S297 PolarHBondContact OD2-OG 3.32Å
91N98.4Very high98.5Very high32 Ų3218.1 Ų18.117%0.17111%0.108CC..THydrogen-bonded Turntrans58.526.1177.3-154.240.8000114.9K9 D10 L11 K13 F87 A88 A89 K93K9-N91 WeakPolarHBondContact O-CB 3.38Å; D10-N91 PolarHBondContact O-ND2 3.47Å; L11-N91 PolarHBondContact O-ND2 3.04Å; K13-N91 PolarHBondContact N-O 3.49Å; K13-N91 VanDerWaalsContact N-O 3.13Å; F87-N91 PolarHBondContact O-N 2.85Å; A88-N91 WeakPolarHBondContact O-CA 3.2Å; A88-N91 PolarHBondContact O-N 3.34Å; A89-N91 PolarHBondContact O-N 2.92Å; N91-K93 PolarHBondContact O-N 3.47Å; N91-K93 WeakPolarHBondContact OD1-CE 3.41Å; N91-K93 PolarHBondContact OD1-NZ 2.86Å
92V98.9Very high98.2Very high0 Ų018.8 Ų18.80%011%0.109CC..EExtended strand (participates in β ladder)trans-71124.6167.3-178.30000108.8K13 E15 F87 D90 Y94 L95 I133 L296K13-V92 HydrophobicContact CB-CG2 4.38Å; K13-V92 CarbonylContact O-C 3.56Å; K13-V92 WeakPolarHBondContact O-CA 3.5Å; E15-V92 HydrophobicContact CB-CG1 3.94Å; F87-V92 HydrophobicContact CB-CB 4.14Å; F87-V92 HydrophobicContact CB-CG2 4.18Å; F87-V92 HydrophobicContact CD1-CG2 3.92Å; F87-V92 VanDerWaalsContact O-CB 3.25Å; F87-V92 WeakPolarHBondContact O-CB 3.43Å; F87-V92 WeakPolarHBondContact O-CG2 3.27Å; F87-V92 PolarHBondContact O-N 3.2Å; D90-V92 PolarHBondContact O-N 3.4Å; D90-V92 VanDerWaalsContact O-N 3.16Å; V92-Y94 WeakPolarHBondContact CG1-O 3.22Å; V92-L95 HydrophobicContact CG1-CB 4.4Å; V92-I133 HydrophobicContact CB-CD1 4Å; V92-I133 HydrophobicContact CG1-CD1 3.91Å; V92-I133 WeakPolarHBondContact O-CD1 3.41Å; V92-I133 VanDerWaalsContact O-CG1 3.31Å; V92-I133 WeakPolarHBondContact O-CG1 3.24Å; V92-L296 HydrophobicContact CG2-CB 4.43Å; V92-L296 HydrophobicContact CG2-CD2 3.77Å
93K98.8Very high97.7Very high15 Ų1521.8 Ų21.87%0.06512%0.123CC..EExtended strand (participates in β ladder)trans-98.7-19-179.5-57.5-53.7176.6-168.20113.1P12 K13 N91 D132 D134 L335 W339P12-K93 HydrophobicContact CB-CG 3.98Å; K13-K93 PolarHBondContact O-N 3.32Å; N91-K93 PolarHBondContact O-N 3.47Å; N91-K93 WeakPolarHBondContact OD1-CE 3.41Å; N91-K93 PolarHBondContact OD1-NZ 2.86Å; K93-D132 IonicContact NZ-OD2 3.11Å; K93-D132 PolarHBondContact NZ-OD2 3.37Å; K93-D134 PolarHBondContact O-N 3.48Å; K93-L335 HydrophobicContact CB-CD2 4Å; K93-W339 HydrophobicContact CB-CH2 3.98Å; K93-W339 HydrophobicContact CB-CZ3 3.76Å; K93-W339 HydrophobicContact CG-CH2 4.16Å; K93-W339 HydrophobicContact CG-CZ3 3.93Å
94Y98.9Very high96.8Very high0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-142.9131174.1-178.4-86.2000110.5V14 E15 L16 V92 E96 D134 R136 I325 A327 V331 L335V14-Y94 WeakPolarHBondContact CA-O 3.31Å; V14-Y94 HydrophobicContact CG1-CD1 3.88Å; E15-Y94 PolarHBondContact N-O 3.27Å; L16-Y94 HydrophobicContact CD2-CD1 3.98Å; L16-Y94 HydrophobicContact CD2-CE1 3.71Å; V92-Y94 WeakPolarHBondContact CG1-O 3.22Å; Y94-E96 HydrophobicContact CE1-CB 4.45Å; Y94-E96 HydrophobicContact CE1-CG 3.61Å; Y94-E96 VanDerWaalsContact CE1-OE1 3.23Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.41Å; Y94-E96 PolarHBondContact OH-OE1 2.83Å; Y94-D134 CarbonylContact C-O 3.38Å; Y94-D134 VanDerWaalsContact CA-O 3.25Å; Y94-D134 WeakPolarHBondContact CA-O 3.38Å; Y94-D134 HydrophobicContact CD2-CB 4.12Å; Y94-R136 HydrophobicContact CE2-CG 3.88Å; Y94-R136 VanDerWaalsContact OH-CG 3.29Å; Y94-R136 WeakPolarHBondContact OH-CG 3.46Å; Y94-I325 HydrophobicContact CD1-CB 4.15Å; Y94-I325 HydrophobicContact CD1-CG2 3.67Å; Y94-I325 HydrophobicContact CD2-CD1 4.15Å; Y94-I325 HydrophobicContact CE1-CB 3.53Å; Y94-I325 HydrophobicContact CE1-CD1 4.4Å; Y94-I325 HydrophobicContact CE1-CG1 4.47Å; Y94-I325 HydrophobicContact CE1-CG2 3.57Å; Y94-I325 HydrophobicContact CE2-CB 4.44Å; Y94-I325 HydrophobicContact CE2-CD1 3.88Å; Y94-I325 HydrophobicContact CG-CG2 4.3Å; Y94-A327 HydrophobicContact CE2-CB 3.74Å; Y94-A327 WeakPolarHBondContact OH-CB 3.37Å; Y94-A327 PolarHBondContact OH-N 2.99Å; Y94-V331 HydrophobicContact CD2-CG1 4.11Å; Y94-V331 HydrophobicContact CE2-CG1 4.08Å; Y94-L335 HydrophobicContact CD2-CD1 3.88Å; Y94-L335 HydrophobicContact CG-CD1 3.97Å
95L98.9Very high95.6Very high0 Ų031.1 Ų31.10%017%0.17CC..EExtended strand (participates in β ladder)trans-128.4123.2-179.1169.664.1000110.4E15 A18 I84 F87 V92 L97 I133 D134 V135 R136E15-L95 HydrophobicContact CB-CD1 3.76Å; E15-L95 HydrophobicContact CG-CD1 3.46Å; E15-L95 VanDerWaalsContact CG-CD1 3.46Å; E15-L95 CarbonylContact O-C 3.53Å; E15-L95 WeakPolarHBondContact O-CA 3.31Å; A18-L95 HydrophobicContact CB-CD1 4.03Å; I84-L95 HydrophobicContact CG1-CD2 4.18Å; F87-L95 HydrophobicContact CB-CD2 4.33Å; F87-L95 HydrophobicContact CD2-CD1 4.06Å; F87-L95 HydrophobicContact CD2-CD2 3.72Å; F87-L95 HydrophobicContact CE2-CD1 4.11Å; F87-L95 HydrophobicContact CE2-CD2 4.38Å; F87-L95 HydrophobicContact CG-CD1 4.47Å; F87-L95 HydrophobicContact CG-CD2 4.28Å; V92-L95 HydrophobicContact CG1-CB 4.4Å; L95-L97 HydrophobicContact CD2-CB 4.38Å; L95-L97 HydrophobicContact CG-CB 4.23Å; L95-I133 HydrophobicContact CB-CD1 3.77Å; L95-I133 HydrophobicContact CB-CG1 4.25Å; L95-I133 HydrophobicContact CD2-CD1 4.25Å; L95-D134 PolarHBondContact N-O 3.13Å; L95-V135 HydrophobicContact CB-CG1 4.35Å; L95-V135 HydrophobicContact CB-CG2 4.38Å; L95-V135 HydrophobicContact CD2-CG1 4.13Å; L95-V135 HydrophobicContact CD2-CG2 4.44Å; L95-V135 HydrophobicContact CG-CG1 4.17Å; L95-V135 CarbonylContact O-C 3.59Å; L95-V135 VanDerWaalsContact O-CA 3.31Å; L95-V135 WeakPolarHBondContact O-CA 3.46Å; L95-R136 PolarHBondContact O-N 3.15Å
96E98.9Very high94.1Very high0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-96.694.4160.1-86167.4-14300109.3E15 L16 Y94 R136 L138 R223 F326E15-E96 PolarHBondContact O-N 3.29Å; L16-E96 HydrophobicContact CD2-CB 4.18Å; L16-E96 HydrophobicContact CD2-CG 4.23Å; Y94-E96 HydrophobicContact CE1-CB 4.45Å; Y94-E96 HydrophobicContact CE1-CG 3.61Å; Y94-E96 VanDerWaalsContact CE1-OE1 3.23Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.41Å; Y94-E96 PolarHBondContact OH-OE1 2.83Å; E96-R136 WeakPolarHBondContact CA-O 3.49Å; E96-R136 HydrophobicContact CG-CB 3.91Å; E96-L138 HydrophobicContact CB-CD1 4.48Å; E96-R223 IonicContact OE1-NH1 3.07Å; E96-R223 IonicContact OE2-CZ 2.62Å; E96-R223 IonicContact OE2-NH1 2.71Å; E96-R223 PolarHBondContact OE2-NH1 2.67Å; E96-R223 IonicContact OE2-NH2 3.45Å; E96-R223 PolarHBondContact OE2-NH2 3.11Å; E96-F326 WeakPolarHBondContact OE1-CB 3.44Å; E96-F326 PolarHBondContact OE1-N 3.31Å; E96-F326 VanDerWaalsContact OE2-CD2 3.23Å; E96-F326 WeakPolarHBondContact OE2-CD2 3.15Å
97L98.9Very high92.2Very high0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-75.9135175.6-173.167.8000109L20 V83 L95 V119 V135 R136 F137 L138L20-L97 HydrophobicContact CB-CD1 4.02Å; L20-L97 HydrophobicContact CB-CD2 4.39Å; L20-L97 HydrophobicContact CB-CG 4.24Å; L20-L97 HydrophobicContact CD1-CD1 4.24Å; L20-L97 HydrophobicContact CD1-CD2 4.04Å; L20-L97 HydrophobicContact CD2-CD2 4.46Å; V83-L97 HydrophobicContact CG1-CD1 4.13Å; L95-L97 HydrophobicContact CD2-CB 4.38Å; L95-L97 HydrophobicContact CG-CB 4.23Å; L97-V119 HydrophobicContact CD2-CG1 4.18Å; L97-V135 HydrophobicContact CB-CG1 4.36Å; L97-R136 PolarHBondContact N-O 3.38Å; L97-F137 HydrophobicContact CB-CD2 4.46Å; L97-F137 CarbonylContact O-C 3.54Å; L97-F137 WeakPolarHBondContact O-CA 3.5Å; L97-F137 WeakPolarHBondContact O-CD2 3.36Å; L97-L138 PolarHBondContact O-N 3.07Å
98R98.8Very high90.4Very high0 Ų040.9 Ų40.90%024%0.239CC..EExtended strand (participates in β ladder)trans-120.2143.4176.163.1-171.864-174.5-3.8111.2L16 H17 A18 H19 L20 L138 D172 H202 E252L16-R98 PolarHBondContact O-NH2 3.06Å; H17-R98 PolarHBondContact CD2-NH1 2.89Å; H17-R98 VanDerWaalsContact CD2-NH1 3.34Å; H17-R98 PolarHBondContact CE1-NH1 2.84Å; H17-R98 VanDerWaalsContact CG-CZ 3.44Å; H17-R98 PolarHBondContact ND1-NH1 2.68Å; H17-R98 PolarHBondContact NE2-NH1 3.17Å; A18-R98 WeakPolarHBondContact O-CG 3.47Å; A18-R98 PolarHBondContact O-N 2.97Å; H19-R98 CarbonylContact C-O 3.48Å; H19-R98 WeakPolarHBondContact CA-O 3.13Å; H19-R98 HydrophobicContact CB-CG 4.33Å; H19-R98 VanDerWaalsContact CE1-CD 3.41Å; H19-R98 WeakPolarHBondContact CE1-CD 3.45Å; H19-R98 WeakPolarHBondContact ND1-CD 3.33Å; H19-R98 WeakPolarHBondContact ND1-CG 3.36Å; L20-R98 PolarHBondContact N-O 3.36Å; R98-L138 WeakPolarHBondContact CA-O 3.41Å; R98-L138 HydrophobicContact CB-CB 3.85Å; R98-L138 HydrophobicContact CB-CD1 4.49Å; R98-D172 HydrophobicContact CB-CB 4.33Å; R98-D172 IonicContact NH1-OD1 3.4Å; R98-D172 PolarHBondContact NH1-OD1 2.69Å; R98-H202 PolarHBondContact NH1-CE1 3.15Å; R98-E252 IonicContact CZ-OE2 3.71Å; R98-E252 IonicContact NH1-OE2 2.76Å; R98-E252 PolarHBondContact NH1-OE2 3.37Å; R98-E252 VanDerWaalsContact NH1-OE2 3.11Å; R98-E252 VanDerWaalsContact NH2-CD 3.27Å; R98-E252 IonicContact NH2-OE1 3.82Å; R98-E252 PolarHBondContact NH2-OE1 3.39Å; R98-E252 IonicContact NH2-OE2 2.76Å; R98-E252 PolarHBondContact NH2-OE2 3.06Å
99S98.3Very high89.2Confident2 Ų242.2 Ų42.21%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-157.7143.5173.9-161.10000112.1N21 P101 Y115 L138 A140N21-S99 PolarHBondContact ND2-OG 3.14Å; S99-P101 WeakPolarHBondContact O-CD 3.3Å; S99-Y115 PolarHBondContact OG-OH 3.3Å; S99-L138 PolarHBondContact N-O 3.23Å; S99-A140 PolarHBondContact O-N 2.76Å
100T97.1Very high88.9Confident36 Ų3638 Ų3822%0.22122%0.22CC..  trans-78.5116.7173-49.60000109R102 D142T100-R102 PolarHBondContact O-N 3.46Å; T100-D142 HydrophobicContact CG2-CB 3.93Å
101P95.9Very high88.7Confident8 Ų840 Ų405%0.05223%0.232CC..  trans-61128.1175.6-21.934.1000110.8S99 K112 Y115 I116 V139 A140S99-P101 WeakPolarHBondContact O-CD 3.3Å; P101-K112 HydrophobicContact CB-CB 3.77Å; P101-K112 HydrophobicContact CB-CD 4.48Å; P101-K112 HydrophobicContact CB-CG 4.05Å; P101-Y115 HydrophobicContact CB-CD1 4.25Å; P101-I116 HydrophobicContact CB-CD1 4.23Å; P101-I116 HydrophobicContact CB-CG1 4.13Å; P101-I116 HydrophobicContact CG-CD1 3.79Å; P101-I116 HydrophobicContact CG-CG1 3.82Å; P101-V139 HydrophobicContact CG-CG1 3.29Å; P101-A140 WeakPolarHBondContact CD-O 3.44Å
102R91.4Very high88.6Confident25 Ų2539.7 Ų39.79%0.09423%0.229CC..  trans-108.3154.6179.4-69.4-170.2-73.4127.5-4.9111.3N21 H67 V70 T100 T111 K112 Y115N21-R102 PolarHBondContact OD1-NH2 3.48Å; H67-R102 PolarHBondContact O-NH1 3.45Å; V70-R102 PolarHBondContact O-NH1 3.09Å; V70-R102 PolarHBondContact O-NH2 3.19Å; T100-R102 PolarHBondContact O-N 3.46Å; R102-T111 CarbonylContact O-C 3.45Å; R102-K112 WeakPolarHBondContact O-CA 3.45Å; R102-K112 PolarHBondContact O-N 3.13Å; R102-Y115 HydrophobicContact CB-CD2 4.28Å; R102-Y115 HydrophobicContact CB-CE2 4.45Å
103E88.4Confident88.5Confident91 Ų9143.4 Ų43.443%0.42525%0.246SC..  trans-130129.7174.6177.5172.3-163.200107.7L110 K112E103-L110 CarbonylContact C-O 3.22Å; E103-L110 VanDerWaalsContact CA-O 3.27Å; E103-L110 WeakPolarHBondContact CA-O 3.47Å; E103-K112 HydrophobicContact CB-CG 4.08Å
104E80.9Confident88.4Confident66 Ų6643.3 Ų43.331%0.30825%0.246SC..BIsolated β-bridgetrans-131.6112.8-179.6-69.1-66.5-17800110.4H106 T107 L110E104-H106 VanDerWaalsContact C-N 3.29Å; E104-H106 PolarHBondContact O-N 3.28Å; E104-T107 WeakPolarHBondContact CB-OG1 3.43Å; E104-L110 HydrophobicContact CB-CB 4.27Å; E104-L110 HydrophobicContact CG-CD2 4.39Å; E104-L110 PolarHBondContact N-O 3.04Å; E104-L110 PolarHBondContact O-N 2.92Å
105N72.9Confident88.3Confident130 Ų13043.3 Ų43.370%0.69525%0.246SC*.THydrogen-bonded Turntrans-80.7-8.4-175.6-69.5-42.9000113.6
106H67.4Low88.3Confident179 Ų17943.3 Ų43.383%0.82925%0.246SC*.THydrogen-bonded Turntrans-101.9-21.8-175.1-60.4-59000113.5E104E104-H106 VanDerWaalsContact C-N 3.29Å; E104-H106 PolarHBondContact O-N 3.28Å
107T58.3Low88.3Confident36 Ų3647.3 Ų47.322%0.22127%0.265CS..THydrogen-bonded Turntrans-113.7106.5-17941.40000110.5D71 E104 G109 L110D71-T107 HydrophobicContact CB-CG2 4.38Å; D71-T107 PolarHBondContact O-OG1 2.76Å; E104-T107 WeakPolarHBondContact CB-OG1 3.43Å; T107-G109 PolarHBondContact O-N 3.42Å; T107-L110 PolarHBondContact O-N 3.38Å
108A61.6Low88.3Confident115 Ų11547.6 Ų47.695%0.9527%0.267SS*.THydrogen-bonded Turntrans46.91.117200000119
109G74.8Confident88.3Confident45 Ų4547.6 Ų47.646%0.46427%0.267SS..THydrogen-bonded Turntrans83.646.4-17400000114.8T107 T111T107-G109 PolarHBondContact O-N 3.42Å; G109-T111 PolarHBondContact O-N 3.25Å
110L90.6Very high88.3Confident4 Ų448.1 Ų48.12%0.02127%0.269CS..BIsolated β-bridgetrans-63.2120.5171.2178.868.5000109.6E73 I76 E103 E104 T107 Y115E73-L110 HydrophobicContact CG-CD1 3.78Å; I76-L110 HydrophobicContact CD1-CD1 3.69Å; I76-L110 HydrophobicContact CD1-CD2 3.99Å; E103-L110 CarbonylContact C-O 3.22Å; E103-L110 VanDerWaalsContact CA-O 3.27Å; E103-L110 WeakPolarHBondContact CA-O 3.47Å; E104-L110 HydrophobicContact CB-CB 4.27Å; E104-L110 HydrophobicContact CG-CD2 4.39Å; E104-L110 PolarHBondContact N-O 3.04Å; E104-L110 PolarHBondContact O-N 2.92Å; T107-L110 PolarHBondContact O-N 3.38Å; L110-Y115 HydrophobicContact CD2-CD2 4.36Å
111T94.6Very high88.4Confident57 Ų5751.3 Ų51.335%0.3528%0.282SS..  trans-108.9159176.167.60000110.5R102 G109 K113 S114 Y115R102-T111 CarbonylContact O-C 3.45Å; G109-T111 PolarHBondContact O-N 3.25Å; T111-K113 PolarHBondContact O-N 2.86Å; T111-S114 PolarHBondContact N-OG 3.07Å; T111-S114 VanDerWaalsContact N-OG 3.17Å; T111-S114 PolarHBondContact O-N 3.19Å; T111-S114 PolarHBondContact O-OG 3.05Å; T111-S114 WeakPolarHBondContact OG1-CB 3.4Å; T111-S114 PolarHBondContact OG1-N 3.39Å; T111-S114 PolarHBondContact OG1-OG 3.36Å; T111-Y115 WeakPolarHBondContact O-CB 3.3Å; T111-Y115 PolarHBondContact O-N 2.65Å
112K95.9Very high88.5Confident24 Ų2451 Ų5110%0.10428%0.28CS..Hα-helixtrans-56.8-34.6173-64-175.9-165.2157.40112.5P101 R102 E103 Y115 I116 E152 L156P101-K112 HydrophobicContact CB-CB 3.77Å; P101-K112 HydrophobicContact CB-CD 4.48Å; P101-K112 HydrophobicContact CB-CG 4.05Å; R102-K112 WeakPolarHBondContact O-CA 3.45Å; R102-K112 PolarHBondContact O-N 3.13Å; E103-K112 HydrophobicContact CB-CG 4.08Å; K112-Y115 WeakPolarHBondContact O-CB 3.34Å; K112-I116 WeakPolarHBondContact O-CG1 3.33Å; K112-I116 PolarHBondContact O-N 3.01Å; K112-E152 WeakPolarHBondContact CD-OE1 3.42Å; K112-E152 IonicContact NZ-OE1 2.95Å; K112-E152 PolarHBondContact NZ-OE1 3.17Å; K112-E152 VanDerWaalsContact NZ-OE1 3.14Å; K112-E152 IonicContact NZ-OE2 2.71Å; K112-E152 PolarHBondContact NZ-OE2 3.19Å; K112-L156 HydrophobicContact CB-CD1 3.68Å; K112-L156 HydrophobicContact CD-CD1 4.38Å
113K97.1Very high88.9Confident79 Ų7950 Ų5034%0.34328%0.277SS..Hα-helixtrans-67-53.3177.8-178.5169.9174.1155.40110.9T111 Y115 I116 E117 L156 E159 F160T111-K113 PolarHBondContact O-N 2.86Å; K113-Y115 PolarHBondContact O-N 2.76Å; K113-I116 PolarHBondContact O-N 3Å; K113-I116 VanDerWaalsContact O-N 3.08Å; K113-E117 WeakPolarHBondContact CE-OE1 3.44Å; K113-E117 WeakPolarHBondContact O-CG 3.46Å; K113-E117 PolarHBondContact O-N 3.28Å; K113-L156 HydrophobicContact CB-CD2 4.21Å; K113-E159 IonicContact NZ-OE1 3.13Å; K113-E159 PolarHBondContact NZ-OE1 2.67Å; K113-F160 HydrophobicContact CG-CE2 4.1Å; K113-F160 HydrophobicContact CG-CZ 3.84Å
114S96.9Very high89.4Confident12 Ų1250 Ų508%0.08428%0.276CS..Hα-helixtrans-66.7-28.4-179.272.70000112.7E73 T111 E117 T118E73-S114 WeakPolarHBondContact OE1-CB 3.23Å; E73-S114 PolarHBondContact OE1-OG 3.36Å; T111-S114 PolarHBondContact N-OG 3.07Å; T111-S114 VanDerWaalsContact N-OG 3.17Å; T111-S114 PolarHBondContact O-N 3.19Å; T111-S114 PolarHBondContact O-OG 3.05Å; T111-S114 WeakPolarHBondContact OG1-CB 3.4Å; T111-S114 PolarHBondContact OG1-N 3.39Å; T111-S114 PolarHBondContact OG1-OG 3.36Å; S114-E117 PolarHBondContact O-N 3.35Å; S114-T118 WeakPolarHBondContact O-CB 3.3Å; S114-T118 PolarHBondContact O-N 3.03Å; S114-T118 PolarHBondContact O-OG1 2.95Å
115Y97.7Very high90.2Very high0 Ų050 Ų500%028%0.277CS..Hα-helixtrans-56-51.9167.5-174-76.7000111.9N21 I76 S99 P101 R102 L110 T111 K112 K113 T118 V119N21-Y115 PolarHBondContact ND2-OH 3.18Å; I76-Y115 HydrophobicContact CD1-CD2 3.29Å; I76-Y115 HydrophobicContact CD1-CE2 3.48Å; I76-Y115 VanDerWaalsContact CD1-CE2 3.48Å; I76-Y115 HydrophobicContact CD1-CG 4.14Å; I76-Y115 HydrophobicContact CG1-CD2 4.14Å; I76-Y115 HydrophobicContact CG1-CE2 3.81Å; I76-Y115 HydrophobicContact CG2-CE2 4.38Å; S99-Y115 PolarHBondContact OG-OH 3.3Å; P101-Y115 HydrophobicContact CB-CD1 4.25Å; R102-Y115 HydrophobicContact CB-CD2 4.28Å; R102-Y115 HydrophobicContact CB-CE2 4.45Å; L110-Y115 HydrophobicContact CD2-CD2 4.36Å; T111-Y115 WeakPolarHBondContact O-CB 3.3Å; T111-Y115 PolarHBondContact O-N 2.65Å; K112-Y115 WeakPolarHBondContact O-CB 3.34Å; K113-Y115 PolarHBondContact O-N 2.76Å; Y115-T118 PolarHBondContact O-N 2.98Å; Y115-V119 HydrophobicContact CD1-CG2 4.25Å; Y115-V119 HydrophobicContact CE1-CG2 3.87Å; Y115-V119 WeakPolarHBondContact O-CG2 3.4Å; Y115-V119 PolarHBondContact O-N 3.28Å; Y115-V119 VanDerWaalsContact O-N 3.14Å
116I98.5Very high91.4Very high0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-66.2-41.8-179.2-62.8165.1000110.4P101 K112 K113 T118 V119 I120 F137 V139 L156 F160P101-I116 HydrophobicContact CB-CD1 4.23Å; P101-I116 HydrophobicContact CB-CG1 4.13Å; P101-I116 HydrophobicContact CG-CD1 3.79Å; P101-I116 HydrophobicContact CG-CG1 3.82Å; K112-I116 WeakPolarHBondContact O-CG1 3.33Å; K112-I116 PolarHBondContact O-N 3.01Å; K113-I116 PolarHBondContact O-N 3Å; K113-I116 VanDerWaalsContact O-N 3.08Å; I116-T118 VanDerWaalsContact C-N 3.28Å; I116-T118 PolarHBondContact O-N 3.31Å; I116-V119 PolarHBondContact O-N 3.19Å; I116-I120 HydrophobicContact CG2-CD1 3.81Å; I116-I120 HydrophobicContact CG2-CG1 4.41Å; I116-I120 WeakPolarHBondContact O-CG1 3.42Å; I116-I120 PolarHBondContact O-N 3.02Å; I116-F137 HydrophobicContact CG1-CE1 4.32Å; I116-F137 HydrophobicContact CG2-CD1 4.36Å; I116-F137 HydrophobicContact CG2-CE1 4.08Å; I116-V139 HydrophobicContact CD1-CG1 3.97Å; I116-V139 HydrophobicContact CD1-CG2 4.41Å; I116-L156 HydrophobicContact CD1-CB 3.9Å; I116-L156 HydrophobicContact CD1-CD1 4.3Å; I116-F160 HydrophobicContact CB-CD2 4.01Å; I116-F160 HydrophobicContact CB-CE2 3.8Å; I116-F160 HydrophobicContact CB-CZ 4.24Å; I116-F160 HydrophobicContact CD1-CD2 3.97Å; I116-F160 HydrophobicContact CD1-CE2 4.01Å; I116-F160 HydrophobicContact CG2-CB 4.29Å; I116-F160 HydrophobicContact CG2-CD1 4.09Å; I116-F160 HydrophobicContact CG2-CD2 3.45Å; I116-F160 VanDerWaalsContact CG2-CD2 3.45Å; I116-F160 HydrophobicContact CG2-CE1 4.32Å; I116-F160 HydrophobicContact CG2-CE2 3.73Å; I116-F160 HydrophobicContact CG2-CG 3.67Å; I116-F160 HydrophobicContact CG2-CZ 4.16Å
117E98.4Very high92.9Very high84 Ų8442.5 Ų42.539%0.39324%0.235SC..Hα-helixtrans-56.2-44.7175.5-70.8169.2164.200111.2K113 S114 V119 I120 E121 F160K113-E117 WeakPolarHBondContact CE-OE1 3.44Å; K113-E117 WeakPolarHBondContact O-CG 3.46Å; K113-E117 PolarHBondContact O-N 3.28Å; S114-E117 PolarHBondContact O-N 3.35Å; E117-V119 PolarHBondContact O-N 3.26Å; E117-I120 PolarHBondContact O-N 3.07Å; E117-E121 WeakPolarHBondContact O-CB 3.46Å; E117-E121 PolarHBondContact O-N 3.41Å; E117-F160 HydrophobicContact CG-CE1 3.57Å; E117-F160 HydrophobicContact CG-CZ 3.51Å
118T98.6Very high94.8Very high6 Ų647.4 Ų47.44%0.03726%0.26CS..Hα-helixtrans-64.4-40.5179.4-55.50000112.4E73 I76 L77 S114 Y115 I116 E121 A122E73-T118 HydrophobicContact CB-CG2 4.28Å; E73-T118 WeakPolarHBondContact O-CG2 3.25Å; I76-T118 HydrophobicContact CB-CG2 3.86Å; I76-T118 HydrophobicContact CG2-CG2 3.75Å; L77-T118 HydrophobicContact CB-CG2 3.76Å; S114-T118 WeakPolarHBondContact O-CB 3.3Å; S114-T118 PolarHBondContact O-N 3.03Å; S114-T118 PolarHBondContact O-OG1 2.95Å; Y115-T118 PolarHBondContact O-N 2.98Å; I116-T118 VanDerWaalsContact C-N 3.28Å; I116-T118 PolarHBondContact O-N 3.31Å; T118-E121 WeakPolarHBondContact O-CB 3.39Å; T118-E121 PolarHBondContact O-N 3.38Å; T118-A122 PolarHBondContact O-N 2.67Å
119V98.7Very high96.6Very high0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-66.9-40.2176.1176.70000110.9L20 I76 L97 Y115 I116 E117 E121 A122 I123 F137L20-V119 HydrophobicContact CD2-CG2 3.83Å; I76-V119 HydrophobicContact CG2-CG2 3.73Å; L97-V119 HydrophobicContact CD2-CG1 4.18Å; Y115-V119 HydrophobicContact CD1-CG2 4.25Å; Y115-V119 HydrophobicContact CE1-CG2 3.87Å; Y115-V119 WeakPolarHBondContact O-CG2 3.4Å; Y115-V119 PolarHBondContact O-N 3.28Å; Y115-V119 VanDerWaalsContact O-N 3.14Å; I116-V119 PolarHBondContact O-N 3.19Å; E117-V119 PolarHBondContact O-N 3.26Å; V119-E121 VanDerWaalsContact C-N 3.33Å; V119-A122 WeakPolarHBondContact O-CB 3.47Å; V119-A122 PolarHBondContact O-N 2.93Å; V119-I123 HydrophobicContact CG1-CD1 4.24Å; V119-I123 WeakPolarHBondContact O-CG1 3.42Å; V119-I123 PolarHBondContact O-N 2.77Å; V119-I123 VanDerWaalsContact O-N 3.09Å; V119-F137 HydrophobicContact CG1-CD2 3.79Å; V119-F137 HydrophobicContact CG1-CE2 3.8Å; V119-F137 HydrophobicContact CG1-CG 4.23Å; V119-F137 HydrophobicContact CG1-CZ 4.21Å
120I98.8Very high97.7Very high13 Ų1347.4 Ų47.47%0.06725%0.245CC..Hα-helixtrans-62.4-42.3174.8-71.2167.8000110.7I116 E117 A122 I123 Q124 F160 L167 V168I116-I120 HydrophobicContact CG2-CD1 3.81Å; I116-I120 HydrophobicContact CG2-CG1 4.41Å; I116-I120 WeakPolarHBondContact O-CG1 3.42Å; I116-I120 PolarHBondContact O-N 3.02Å; E117-I120 PolarHBondContact O-N 3.07Å; I120-A122 PolarHBondContact O-N 3.27Å; I120-I123 WeakPolarHBondContact O-CB 3.49Å; I120-I123 PolarHBondContact O-N 3.29Å; I120-Q124 HydrophobicContact CG2-CG 4.39Å; I120-Q124 WeakPolarHBondContact O-CG 3.29Å; I120-Q124 PolarHBondContact O-N 3.23Å; I120-F160 HydrophobicContact CD1-CB 4.25Å; I120-F160 HydrophobicContact CD1-CD1 3.47Å; I120-F160 VanDerWaalsContact CD1-CD1 3.47Å; I120-F160 HydrophobicContact CD1-CE1 4.09Å; I120-F160 HydrophobicContact CD1-CG 4.03Å; I120-L167 HydrophobicContact CG2-CD1 3.9Å; I120-V168 HydrophobicContact CD1-CG2 3.93Å; I120-V168 HydrophobicContact CG1-CG2 4.39Å
121E98.7Very high98.1Very high104 Ų10448.7 Ų48.749%0.48625%0.253SS..Hα-helixtrans-58.2-46.7175.2-177.9178.217700111.1L77 E117 T118 V119 I123 Q124 Q125L77-E121 HydrophobicContact CD1-CB 4.45Å; L77-E121 HydrophobicContact CD1-CG 4.17Å; E117-E121 WeakPolarHBondContact O-CB 3.46Å; E117-E121 PolarHBondContact O-N 3.41Å; T118-E121 WeakPolarHBondContact O-CB 3.39Å; T118-E121 PolarHBondContact O-N 3.38Å; V119-E121 VanDerWaalsContact C-N 3.33Å; E121-I123 VanDerWaalsContact C-N 3.31Å; E121-I123 PolarHBondContact O-N 3.33Å; E121-Q124 PolarHBondContact O-N 3.36Å; E121-Q125 WeakPolarHBondContact O-CB 3.23Å; E121-Q125 PolarHBondContact O-N 3.07Å
122A98.9Very high98.2Very high0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-58.4-42.4176.600000112.6L77 A80 T118 V119 I120 Q125 C126L77-A122 HydrophobicContact CD1-CB 3.72Å; A80-A122 HydrophobicContact CB-CB 3.43Å; A80-A122 VanDerWaalsContact CB-CB 3.43Å; T118-A122 PolarHBondContact O-N 2.67Å; V119-A122 WeakPolarHBondContact O-CB 3.47Å; V119-A122 PolarHBondContact O-N 2.93Å; I120-A122 PolarHBondContact O-N 3.27Å; A122-Q125 PolarHBondContact O-N 3.32Å; A122-C126 PolarHBondContact O-N 3.32Å; A122-C126 PolarHBondContact O-SG 2.83Å
123I98.8Very high98.4Very high6 Ų649.5 Ų49.53%0.03126%0.256CS..Hα-helixtrans-62.5-47.3176.5-68.5166.5000110.6I84 V119 I120 E121 C126 K127 V135 F137 L167I84-I123 HydrophobicContact CD1-CG1 3.79Å; V119-I123 HydrophobicContact CG1-CD1 4.24Å; V119-I123 WeakPolarHBondContact O-CG1 3.42Å; V119-I123 PolarHBondContact O-N 2.77Å; V119-I123 VanDerWaalsContact O-N 3.09Å; I120-I123 WeakPolarHBondContact O-CB 3.49Å; I120-I123 PolarHBondContact O-N 3.29Å; E121-I123 VanDerWaalsContact C-N 3.31Å; E121-I123 PolarHBondContact O-N 3.33Å; I123-C126 PolarHBondContact O-N 2.88Å; I123-K127 PolarHBondContact O-N 2.8Å; I123-V135 HydrophobicContact CD1-CG1 3.94Å; I123-V135 HydrophobicContact CG1-CB 4.19Å; I123-V135 HydrophobicContact CG1-CG1 3.79Å; I123-V135 HydrophobicContact CG2-CB 3.92Å; I123-V135 HydrophobicContact CG2-CG1 4.43Å; I123-F137 HydrophobicContact CD1-CB 4.1Å; I123-L167 HydrophobicContact CG2-CD1 4.22Å; I123-L167 HydrophobicContact CG2-CD2 3.86Å
124Q98.6Very high98.4Very high90 Ų9047.5 Ų47.542%0.42125%0.249SC..Hα-helixtrans-64.8-39.9178.8-71176.3-7.500111.8I120 E121 K127 N128 L167I120-Q124 HydrophobicContact CG2-CG 4.39Å; I120-Q124 WeakPolarHBondContact O-CG 3.29Å; I120-Q124 PolarHBondContact O-N 3.23Å; E121-Q124 PolarHBondContact O-N 3.36Å; Q124-K127 PolarHBondContact O-N 2.93Å; Q124-N128 WeakPolarHBondContact O-CB 3.19Å; Q124-N128 PolarHBondContact O-N 2.87Å; Q124-N128 PolarHBondContact O-ND2 2.91Å; Q124-L167 HydrophobicContact CG-CD1 3.88Å
125Q98.6Very high98.5Very high67 Ų6747.2 Ų47.231%0.31325%0.247SC..Hα-helixtrans-60.3-49.8175.7-178178.1-14.900110.9E121 A122 K127 N128 E129E121-Q125 WeakPolarHBondContact O-CB 3.23Å; E121-Q125 PolarHBondContact O-N 3.07Å; A122-Q125 PolarHBondContact O-N 3.32Å; Q125-K127 VanDerWaalsContact C-N 3.29Å; Q125-K127 PolarHBondContact O-N 3.36Å; Q125-N128 PolarHBondContact O-N 3.09Å; Q125-N128 VanDerWaalsContact O-N 3.17Å; Q125-E129 HydrophobicContact CG-CG 4.44Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.2Å; Q125-E129 PolarHBondContact NE2-OE1 3.41Å; Q125-E129 WeakPolarHBondContact O-CB 3.3Å; Q125-E129 WeakPolarHBondContact O-CG 3.47Å; Q125-E129 PolarHBondContact O-N 3.37Å
126C98.8Very high98.6Very high2 Ų248.4 Ų48.41%0.01425%0.251CS..Hα-helixtrans-59.6-40.6177.6-68.70000112I84 A122 I123 E129 G130 V131I84-C126 HydrophobicContact CG2-CB 3.81Å; A122-C126 PolarHBondContact O-N 3.32Å; A122-C126 PolarHBondContact O-SG 2.83Å; I123-C126 PolarHBondContact O-N 2.88Å; C126-E129 PolarHBondContact O-N 2.83Å; C126-G130 PolarHBondContact O-N 3.24Å; C126-V131 HydrophobicContact CB-CB 4.26Å; C126-V131 HydrophobicContact CB-CG2 4.01Å; C126-V131 WeakPolarHBondContact O-CB 3.47Å; C126-V131 VanDerWaalsContact O-CG2 3.31Å; C126-V131 WeakPolarHBondContact O-CG2 3.34Å; C126-V131 PolarHBondContact O-N 2.9Å
127K98.3Very high98.6Very high148 Ų14848.4 Ų48.464%0.64325%0.251SS*.Hα-helixtrans-62.5-45.4175.3-177177-179.5175.60112I123 Q124 Q125 E129 G130I123-K127 PolarHBondContact O-N 2.8Å; Q124-K127 PolarHBondContact O-N 2.93Å; Q125-K127 VanDerWaalsContact C-N 3.29Å; Q125-K127 PolarHBondContact O-N 3.36Å; K127-E129 VanDerWaalsContact C-N 3.31Å; K127-E129 PolarHBondContact O-N 3.11Å; K127-G130 PolarHBondContact O-N 2.6Å; K127-G130 VanDerWaalsContact O-N 3.1Å
128N98.3Very high98.6Very high139 Ų13944.4 Ų44.474%0.74323%0.233SC*.Hα-helixtrans-67.8-31.5179.8-69.1-21.1000112.6Q124 Q125 G130Q124-N128 WeakPolarHBondContact O-CB 3.19Å; Q124-N128 PolarHBondContact O-N 2.87Å; Q124-N128 PolarHBondContact O-ND2 2.91Å; Q125-N128 PolarHBondContact O-N 3.09Å; Q125-N128 VanDerWaalsContact O-N 3.17Å; N128-G130 PolarHBondContact O-N 2.96Å
129E98.4Very high98.6Very high99 Ų9944.1 Ų44.146%0.46323%0.231SC..THydrogen-bonded Turntrans-74.6-6.2173.1-71.5177.5-170.900113.1K85 Q125 C126 K127 V131K85-E129 WeakPolarHBondContact CE-OE2 3.37Å; K85-E129 IonicContact NZ-OE1 3.91Å; K85-E129 IonicContact NZ-OE2 3.38Å; K85-E129 PolarHBondContact NZ-OE2 2.75Å; Q125-E129 HydrophobicContact CG-CG 4.44Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.2Å; Q125-E129 PolarHBondContact NE2-OE1 3.41Å; Q125-E129 WeakPolarHBondContact O-CB 3.3Å; Q125-E129 WeakPolarHBondContact O-CG 3.47Å; Q125-E129 PolarHBondContact O-N 3.37Å; C126-E129 PolarHBondContact O-N 2.83Å; K127-E129 VanDerWaalsContact C-N 3.31Å; K127-E129 PolarHBondContact O-N 3.11Å; E129-V131 HydrophobicContact CB-CG2 4.38Å
130G98.4Very high98.6Very high61 Ų6144.1 Ų44.163%0.62923%0.231SC*.THydrogen-bonded Turntrans75.426.1178.400000114C126 K127 N128 D132C126-G130 PolarHBondContact O-N 3.24Å; K127-G130 PolarHBondContact O-N 2.6Å; K127-G130 VanDerWaalsContact O-N 3.1Å; N128-G130 PolarHBondContact O-N 2.96Å; G130-D132 PolarHBondContact O-N 3.41Å
131V98.7Very high98.6Very high32 Ų3243.6 Ų43.619%0.19423%0.228CC..  trans-62.1125.7172.2-174.50000108.6K85 A88 C126 E129 I133K85-V131 HydrophobicContact CG-CG2 4.15Å; A88-V131 HydrophobicContact CB-CG1 3.4Å; A88-V131 VanDerWaalsContact CB-CG1 3.4Å; C126-V131 HydrophobicContact CB-CB 4.26Å; C126-V131 HydrophobicContact CB-CG2 4.01Å; C126-V131 WeakPolarHBondContact O-CB 3.47Å; C126-V131 VanDerWaalsContact O-CG2 3.31Å; C126-V131 WeakPolarHBondContact O-CG2 3.34Å; C126-V131 PolarHBondContact O-N 2.9Å; E129-V131 HydrophobicContact CB-CG2 4.38Å; V131-I133 HydrophobicContact CB-CG2 4.36Å; V131-I133 HydrophobicContact CG1-CG2 3.71Å; V131-I133 PolarHBondContact O-N 3.02Å
132D97.9Very high98.4Very high81 Ų8139.4 Ų39.443%0.43321%0.209SC..SBendtrans-77.666.1-175.9-178.832.2000112.7K93 G130 K338K93-D132 IonicContact NZ-OD2 3.11Å; K93-D132 PolarHBondContact NZ-OD2 3.37Å; G130-D132 PolarHBondContact O-N 3.41Å; D132-K338 IonicContact OD1-NZ 2.66Å; D132-K338 PolarHBondContact OD1-NZ 2.82Å
133I98.8Very high98.1Very high17 Ų1739.6 Ų39.69%0.08721%0.21CC..  trans-152.4136175.4-169167.9000109.3I84 F87 A88 V92 L95 V131 V135I84-I133 HydrophobicContact CG2-CG2 3.67Å; F87-I133 HydrophobicContact CB-CD1 3.91Å; A88-I133 HydrophobicContact CB-CB 3.93Å; A88-I133 HydrophobicContact CB-CD1 4.34Å; A88-I133 HydrophobicContact CB-CG2 3.91Å; V92-I133 HydrophobicContact CB-CD1 4Å; V92-I133 HydrophobicContact CG1-CD1 3.91Å; V92-I133 WeakPolarHBondContact O-CD1 3.41Å; V92-I133 VanDerWaalsContact O-CG1 3.31Å; V92-I133 WeakPolarHBondContact O-CG1 3.24Å; L95-I133 HydrophobicContact CB-CD1 3.77Å; L95-I133 HydrophobicContact CB-CG1 4.25Å; L95-I133 HydrophobicContact CD2-CD1 4.25Å; V131-I133 HydrophobicContact CB-CG2 4.36Å; V131-I133 HydrophobicContact CG1-CG2 3.71Å; V131-I133 PolarHBondContact O-N 3.02Å; I133-V135 HydrophobicContact CG1-CG2 4.18Å; I133-V135 HydrophobicContact CG2-CG2 3.91Å
134D98.7Very high97.7Very high37 Ų3744.5 Ų44.520%0.19823%0.228CC..EExtended strand (participates in β ladder)trans-94.6129168.4-165.33.8000109.8K93 Y94 L95 R136 V331K93-D134 PolarHBondContact O-N 3.48Å; Y94-D134 CarbonylContact C-O 3.38Å; Y94-D134 VanDerWaalsContact CA-O 3.25Å; Y94-D134 WeakPolarHBondContact CA-O 3.38Å; Y94-D134 HydrophobicContact CD2-CB 4.12Å; L95-D134 PolarHBondContact N-O 3.13Å; D134-R136 IonicContact OD1-CZ 2.66Å; D134-R136 VanDerWaalsContact OD1-CZ 3.31Å; D134-R136 IonicContact OD1-NH1 3.39Å; D134-R136 PolarHBondContact OD1-NH1 2.88Å; D134-R136 IonicContact OD1-NH2 3.47Å; D134-R136 PolarHBondContact OD1-NH2 3.43Å; D134-R136 IonicContact OD2-CZ 3.09Å; D134-R136 IonicContact OD2-NH1 3.54Å; D134-R136 IonicContact OD2-NH2 3.52Å; D134-R136 PolarHBondContact OD2-NH2 3Å; D134-V331 WeakPolarHBondContact OD2-CG1 3.32Å
135V98.9Very high97.3Very high6 Ų644.2 Ų44.24%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-121.4133.5-172.8-168.70000111.2I84 L95 L97 I123 I133I84-V135 HydrophobicContact CD1-CG1 4.35Å; I84-V135 HydrophobicContact CD1-CG2 4.41Å; I84-V135 HydrophobicContact CG1-CG1 4.42Å; I84-V135 HydrophobicContact CG1-CG2 4.27Å; I84-V135 HydrophobicContact CG2-CG2 3.83Å; L95-V135 HydrophobicContact CB-CG1 4.35Å; L95-V135 HydrophobicContact CB-CG2 4.38Å; L95-V135 HydrophobicContact CD2-CG1 4.13Å; L95-V135 HydrophobicContact CD2-CG2 4.44Å; L95-V135 HydrophobicContact CG-CG1 4.17Å; L95-V135 CarbonylContact O-C 3.59Å; L95-V135 VanDerWaalsContact O-CA 3.31Å; L95-V135 WeakPolarHBondContact O-CA 3.46Å; L97-V135 HydrophobicContact CB-CG1 4.36Å; I123-V135 HydrophobicContact CD1-CG1 3.94Å; I123-V135 HydrophobicContact CG1-CB 4.19Å; I123-V135 HydrophobicContact CG1-CG1 3.79Å; I123-V135 HydrophobicContact CG2-CB 3.92Å; I123-V135 HydrophobicContact CG2-CG1 4.43Å; I133-V135 HydrophobicContact CG1-CG2 4.18Å; I133-V135 HydrophobicContact CG2-CG2 3.91Å
136R98.8Very high96.9Very high24 Ų2442.2 Ų42.29%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-121.9161.3169.2-61.9-62.8175.8-86.9-15.3110Y94 L95 E96 L97 D134 G166 L167 V169 A327Y94-R136 HydrophobicContact CE2-CG 3.88Å; Y94-R136 VanDerWaalsContact OH-CG 3.29Å; Y94-R136 WeakPolarHBondContact OH-CG 3.46Å; L95-R136 PolarHBondContact O-N 3.15Å; E96-R136 WeakPolarHBondContact CA-O 3.49Å; E96-R136 HydrophobicContact CG-CB 3.91Å; L97-R136 PolarHBondContact N-O 3.38Å; D134-R136 IonicContact OD1-CZ 2.66Å; D134-R136 VanDerWaalsContact OD1-CZ 3.31Å; D134-R136 IonicContact OD1-NH1 3.39Å; D134-R136 PolarHBondContact OD1-NH1 2.88Å; D134-R136 IonicContact OD1-NH2 3.47Å; D134-R136 PolarHBondContact OD1-NH2 3.43Å; D134-R136 IonicContact OD2-CZ 3.09Å; D134-R136 IonicContact OD2-NH1 3.54Å; D134-R136 IonicContact OD2-NH2 3.52Å; D134-R136 PolarHBondContact OD2-NH2 3Å; R136-G166 WeakPolarHBondContact CD-O 3.46Å; R136-G166 PolarHBondContact NE-O 2.64Å; R136-L167 CarbonylContact C-O 3.59Å; R136-L167 WeakPolarHBondContact CA-O 3.03Å; R136-V169 HydrophobicContact CB-CG1 4.01Å; R136-V169 HydrophobicContact CB-CG2 3.79Å; R136-V169 HydrophobicContact CG-CG1 3.92Å; R136-V169 HydrophobicContact CG-CG2 4.46Å; R136-A327 HydrophobicContact CG-CB 4.4Å
137F98.9Very high96.7Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-122.1133.6-175.6-171.7-124.6000112L97 I116 V119 I123 V139 L167 V168 V169L97-F137 HydrophobicContact CB-CD2 4.46Å; L97-F137 CarbonylContact O-C 3.54Å; L97-F137 WeakPolarHBondContact O-CA 3.5Å; L97-F137 WeakPolarHBondContact O-CD2 3.36Å; I116-F137 HydrophobicContact CG1-CE1 4.32Å; I116-F137 HydrophobicContact CG2-CD1 4.36Å; I116-F137 HydrophobicContact CG2-CE1 4.08Å; V119-F137 HydrophobicContact CG1-CD2 3.79Å; V119-F137 HydrophobicContact CG1-CE2 3.8Å; V119-F137 HydrophobicContact CG1-CG 4.23Å; V119-F137 HydrophobicContact CG1-CZ 4.21Å; I123-F137 HydrophobicContact CD1-CB 4.1Å; F137-V139 HydrophobicContact CD1-CG2 4.07Å; F137-V139 HydrophobicContact CE1-CG2 3.85Å; F137-L167 PolarHBondContact N-O 3.39Å; F137-V168 HydrophobicContact CB-CG2 4.38Å; F137-V168 HydrophobicContact CD1-CG2 4.06Å; F137-V168 WeakPolarHBondContact O-CA 3.4Å; F137-V169 PolarHBondContact O-N 3.24Å
138L98.9Very high96.6Very high0 Ų045.4 Ų45.40%025%0.251CS..EExtended strand (participates in β ladder)trans-107.4123.4168.2-66.7175.2000109.2E96 L97 R98 S99 A140 V169 G170 D172 F326E96-L138 HydrophobicContact CB-CD1 4.48Å; L97-L138 PolarHBondContact O-N 3.07Å; R98-L138 WeakPolarHBondContact CA-O 3.41Å; R98-L138 HydrophobicContact CB-CB 3.85Å; R98-L138 HydrophobicContact CB-CD1 4.49Å; S99-L138 PolarHBondContact N-O 3.23Å; L138-A140 PolarHBondContact O-N 2.62Å; L138-V169 HydrophobicContact CD2-CG2 4.11Å; L138-G170 WeakPolarHBondContact CA-O 3.32Å; L138-G170 VanDerWaalsContact CD2-CA 3.4Å; L138-D172 HydrophobicContact CB-CB 4.33Å; L138-F326 HydrophobicContact CD1-CE2 4.33Å; L138-F326 HydrophobicContact CD2-CD2 3.78Å; L138-F326 HydrophobicContact CD2-CE2 3.88Å
139V98.8Very high96.5Very high0 Ų040.6 Ų40.60%023%0.226CC..EExtended strand (participates in β ladder)trans-82.7116.3174.3-166.50000107.9P101 I116 F137 T153 A157 V168 G170 I171 D172P101-V139 HydrophobicContact CG-CG1 3.29Å; I116-V139 HydrophobicContact CD1-CG1 3.97Å; I116-V139 HydrophobicContact CD1-CG2 4.41Å; F137-V139 HydrophobicContact CD1-CG2 4.07Å; F137-V139 HydrophobicContact CE1-CG2 3.85Å; V139-T153 HydrophobicContact CB-CG2 4.49Å; V139-T153 HydrophobicContact CG1-CG2 3.6Å; V139-A157 HydrophobicContact CB-CB 3.92Å; V139-A157 HydrophobicContact CG2-CB 3.69Å; V139-V168 HydrophobicContact CG2-CG1 3.8Å; V139-G170 PolarHBondContact N-O 3.03Å; V139-G170 VanDerWaalsContact N-O 3.1Å; V139-I171 HydrophobicContact CB-CD1 4.13Å; V139-I171 WeakPolarHBondContact O-CA 3.32Å; V139-I171 WeakPolarHBondContact O-CD1 3.27Å; V139-D172 PolarHBondContact O-N 2.98Å; V139-D172 VanDerWaalsContact O-N 3.17Å
140A98.4Very high96.4Very high0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-88.6137.2-173.500000112.5S99 P101 L138 D172S99-A140 PolarHBondContact O-N 2.76Å; P101-A140 WeakPolarHBondContact CD-O 3.44Å; L138-A140 PolarHBondContact O-N 2.62Å; A140-D172 CarbonylContact C-O 3.56Å; A140-D172 WeakPolarHBondContact CA-O 3.35Å; A140-D172 HydrophobicContact CB-CB 3.9Å; A140-D172 WeakPolarHBondContact CB-OD2 3.45Å
141I97.9Very high96.4Very high3 Ų335.3 Ų35.32%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-94.8122.1167.5-61.9169.9000107.5A150 T153 V154 I171 D172 L173 S174 L189I141-A150 HydrophobicContact CD1-CB 4.2Å; I141-A150 HydrophobicContact CG2-CB 3.66Å; I141-T153 HydrophobicContact CG1-CG2 3.88Å; I141-V154 HydrophobicContact CD1-CG2 3.9Å; I141-I171 HydrophobicContact CD1-CG2 3.58Å; I141-I171 HydrophobicContact CG1-CG2 3.97Å; I141-D172 PolarHBondContact N-O 3.28Å; I141-L173 HydrophobicContact CB-CD1 4.15Å; I141-L173 HydrophobicContact CG2-CD1 3.95Å; I141-S174 PolarHBondContact O-N 2.88Å; I141-L189 HydrophobicContact CD1-CD2 4.25Å
142D94.6Very high96.4Very high16 Ų1637.3 Ų37.39%0.08619%0.193CC..EExtended strand (participates in β ladder)trans-86.1120.8169.4-173.7-30.2000110.1T100 R144 N145T100-D142 HydrophobicContact CG2-CB 3.93Å; D142-R144 PolarHBondContact O-N 3.14Å; D142-R144 VanDerWaalsContact OD1-CB 3.31Å; D142-R144 WeakPolarHBondContact OD1-CB 3.35Å; D142-R144 WeakPolarHBondContact OD1-CG 3.39Å; D142-R144 IonicContact OD1-CZ 2.85Å; D142-R144 PolarHBondContact OD1-N 3.34Å; D142-R144 IonicContact OD1-NE 2.7Å; D142-R144 PolarHBondContact OD1-NE 2.92Å; D142-R144 IonicContact OD1-NH2 3.76Å; D142-R144 IonicContact OD2-CZ 2.67Å; D142-R144 VanDerWaalsContact OD2-CZ 3.29Å; D142-R144 IonicContact OD2-NE 2.98Å; D142-R144 PolarHBondContact OD2-NE 3.29Å; D142-R144 VanDerWaalsContact OD2-NE 3.11Å; D142-R144 IonicContact OD2-NH2 2.97Å; D142-R144 PolarHBondContact OD2-NH2 2.99Å; D142-N145 PolarHBondContact O-N 2.7Å
143R92.6Very high96.4Very high4 Ų433.7 Ų33.72%0.01517%0.174CC..G310 helixtrans-48.2-31.3178.5-74.8161.8172.5-83.47.5113.8N145 L173 S174 L185 H202 E212R143-N145 VanDerWaalsContact C-N 3.31Å; R143-N145 PolarHBondContact O-N 3.08Å; R143-L173 HydrophobicContact CG-CD1 3.73Å; R143-L173 HydrophobicContact CG-CG 4.26Å; R143-S174 WeakPolarHBondContact CD-O 3.37Å; R143-S174 WeakPolarHBondContact CG-O 3.17Å; R143-S174 PolarHBondContact N-O 2.86Å; R143-L185 HydrophobicContact CG-CD1 4.29Å; R143-H202 PolarHBondContact NH2-O 3.16Å; R143-E212 IonicContact CZ-OE1 2.7Å; R143-E212 IonicContact CZ-OE2 2.9Å; R143-E212 VanDerWaalsContact CZ-OE2 3.29Å; R143-E212 IonicContact NH1-OE1 2.89Å; R143-E212 PolarHBondContact NH1-OE1 3.26Å; R143-E212 IonicContact NH1-OE2 3.64Å; R143-E212 PolarHBondContact NH1-OE2 3.33Å; R143-E212 IonicContact NH2-OE2 3.39Å; R143-E212 PolarHBondContact NH2-OE2 2.87Å
144R89.8Confident96.4Very high109 Ų10932.9 Ų32.941%0.41117%0.17SC..G310 helixtrans-71.6-22.3-176.1-61.2175-67.3-173.21.8113.7D142 D176 V179D142-R144 PolarHBondContact O-N 3.14Å; D142-R144 VanDerWaalsContact OD1-CB 3.31Å; D142-R144 WeakPolarHBondContact OD1-CB 3.35Å; D142-R144 WeakPolarHBondContact OD1-CG 3.39Å; D142-R144 IonicContact OD1-CZ 2.85Å; D142-R144 PolarHBondContact OD1-N 3.34Å; D142-R144 IonicContact OD1-NE 2.7Å; D142-R144 PolarHBondContact OD1-NE 2.92Å; D142-R144 IonicContact OD1-NH2 3.76Å; D142-R144 IonicContact OD2-CZ 2.67Å; D142-R144 VanDerWaalsContact OD2-CZ 3.29Å; D142-R144 IonicContact OD2-NE 2.98Å; D142-R144 PolarHBondContact OD2-NE 3.29Å; D142-R144 VanDerWaalsContact OD2-NE 3.11Å; D142-R144 IonicContact OD2-NH2 2.97Å; D142-R144 PolarHBondContact OD2-NH2 2.99Å; R144-D176 HydrophobicContact CG-CB 4.11Å; R144-V179 HydrophobicContact CG-CB 4.18Å; R144-V179 HydrophobicContact CG-CG1 4.02Å
145N90.7Very high96.4Very high84 Ų8436 Ų3645%0.44918%0.182SC..G310 helixtrans-89-5.2-170.7-65.8-21.9000113.9D142 R143 V149D142-N145 PolarHBondContact O-N 2.7Å; R143-N145 VanDerWaalsContact C-N 3.31Å; R143-N145 PolarHBondContact O-N 3.08Å; N145-V149 HydrophobicContact CB-CB 3.81Å; N145-V149 HydrophobicContact CB-CG1 3.67Å; N145-V149 HydrophobicContact CB-CG2 4.16Å; N145-V149 WeakPolarHBondContact O-CB 3Å; N145-V149 WeakPolarHBondContact O-CG2 3.46Å
146G91.3Very high96.4Very high25 Ų2536.8 Ų36.826%0.25819%0.185SC..Hα-helixtrans75.6178.7173.300000115.5E148 A150G146-E148 PolarHBondContact O-N 3.08Å; G146-A150 WeakPolarHBondContact O-CB 3.28Å; G146-A150 PolarHBondContact O-N 2.94Å
147A94.3Very high96.4Very high40 Ų4035.6 Ų35.633%0.33118%0.181SC..Hα-helixtrans-67.1-36-167.100000114.7A150 M151 C184A147-A150 PolarHBondContact O-N 3.04Å; A147-M151 WeakPolarHBondContact O-CB 3.42Å; A147-M151 PolarHBondContact O-N 3.2Å; A147-C184 HydrophobicContact CB-CB 4.11Å; A147-C184 VanDerWaalsContact CB-O 3.23Å; A147-C184 WeakPolarHBondContact CB-O 3.39Å
148E95.7Very high96.3Very high176 Ų17636.9 Ų36.982%0.82219%0.187SC*.Hα-helixtrans-66.3-47.2-179.6-66.1-174.5174.800111G146 A150 M151 E152G146-E148 PolarHBondContact O-N 3.08Å; E148-A150 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 3.07Å; E148-M151 PolarHBondContact O-N 3.42Å; E148-E152 PolarHBondContact O-N 3.07Å
149V95.8Very high96.3Very high39 Ų3940.9 Ų40.924%0.23621%0.206CC..Hα-helixtrans-65.9-37.1176.4177.30000111.2N145 E152 T153N145-V149 HydrophobicContact CB-CB 3.81Å; N145-V149 HydrophobicContact CB-CG1 3.67Å; N145-V149 HydrophobicContact CB-CG2 4.16Å; N145-V149 WeakPolarHBondContact O-CB 3Å; N145-V149 WeakPolarHBondContact O-CG2 3.46Å; V149-E152 PolarHBondContact O-N 2.65Å; V149-T153 WeakPolarHBondContact O-CB 3.5Å; V149-T153 PolarHBondContact O-N 3.42Å; V149-T153 PolarHBondContact O-OG1 2.66Å
150A97.1Very high96.3Very high1 Ų141.3 Ų41.31%0.00821%0.207CC..Hα-helixtrans-60-45.6173.200000111.7I141 G146 A147 E148 T153 V154 L185 A188I141-A150 HydrophobicContact CD1-CB 4.2Å; I141-A150 HydrophobicContact CG2-CB 3.66Å; G146-A150 WeakPolarHBondContact O-CB 3.28Å; G146-A150 PolarHBondContact O-N 2.94Å; A147-A150 PolarHBondContact O-N 3.04Å; E148-A150 VanDerWaalsContact C-N 3.33Å; E148-A150 PolarHBondContact O-N 3.07Å; A150-T153 PolarHBondContact O-N 2.65Å; A150-V154 WeakPolarHBondContact O-CG2 3.42Å; A150-V154 PolarHBondContact O-N 2.88Å; A150-L185 HydrophobicContact CB-CD2 3.81Å; A150-A188 HydrophobicContact CB-CB 3.92Å
151M98.2Very high96.3Very high48 Ų4843.2 Ų43.224%0.23622%0.217CC..Hα-helixtrans-65.4-39.1177.9-176.661.963.400112.5A147 E148 V154 K155 P187 A188 R191A147-M151 WeakPolarHBondContact O-CB 3.42Å; A147-M151 PolarHBondContact O-N 3.2Å; E148-M151 PolarHBondContact O-N 3.42Å; M151-V154 PolarHBondContact O-N 2.79Å; M151-K155 WeakPolarHBondContact O-CG 3.5Å; M151-K155 PolarHBondContact O-N 2.71Å; M151-K155 VanDerWaalsContact O-N 3.08Å; M151-P187 HydrophobicContact CE-CB 4.27Å; M151-A188 HydrophobicContact CE-CB 4.22Å; M151-R191 WeakPolarHBondContact SD-CD 3.5Å
152E98.1Very high96.2Very high74 Ų7450 Ų5035%0.34625%0.253SS..Hα-helixtrans-61.3-45.9172.9-171.9-161.8154.800111.5K112 E148 V149 V154 K155 L156K112-E152 WeakPolarHBondContact CD-OE1 3.42Å; K112-E152 IonicContact NZ-OE1 2.95Å; K112-E152 PolarHBondContact NZ-OE1 3.17Å; K112-E152 VanDerWaalsContact NZ-OE1 3.14Å; K112-E152 IonicContact NZ-OE2 2.71Å; K112-E152 PolarHBondContact NZ-OE2 3.19Å; E148-E152 PolarHBondContact O-N 3.07Å; V149-E152 PolarHBondContact O-N 2.65Å; E152-V154 VanDerWaalsContact C-N 3.32Å; E152-V154 PolarHBondContact O-N 2.57Å; E152-K155 WeakPolarHBondContact O-CB 3.2Å; E152-K155 PolarHBondContact O-N 3.06Å; E152-K155 VanDerWaalsContact O-N 3.13Å; E152-L156 PolarHBondContact O-N 3.13Å
153T98.4Very high96.4Very high5 Ų553 Ų533%0.03128%0.275CS..Hα-helixtrans-60.7-42.3178.7-580000111.4V139 I141 V149 A150 L156 A157V139-T153 HydrophobicContact CB-CG2 4.49Å; V139-T153 HydrophobicContact CG1-CG2 3.6Å; I141-T153 HydrophobicContact CG1-CG2 3.88Å; V149-T153 WeakPolarHBondContact O-CB 3.5Å; V149-T153 PolarHBondContact O-N 3.42Å; V149-T153 PolarHBondContact O-OG1 2.66Å; A150-T153 PolarHBondContact O-N 2.65Å; T153-L156 PolarHBondContact O-N 3.3Å; T153-A157 PolarHBondContact O-N 3.08Å
154V98.6Very high96.5Very high0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-62.8-42.2174.5170.20000111.8I141 A150 M151 E152 L156 A157 E158 I171 A188 R191 A192I141-V154 HydrophobicContact CD1-CG2 3.9Å; A150-V154 WeakPolarHBondContact O-CG2 3.42Å; A150-V154 PolarHBondContact O-N 2.88Å; M151-V154 PolarHBondContact O-N 2.79Å; E152-V154 VanDerWaalsContact C-N 3.32Å; E152-V154 PolarHBondContact O-N 2.57Å; V154-L156 VanDerWaalsContact C-N 3.33Å; V154-L156 PolarHBondContact O-N 3.44Å; V154-A157 PolarHBondContact O-N 2.86Å; V154-E158 HydrophobicContact CG1-CG 4.38Å; V154-E158 VanDerWaalsContact O-CG 3.28Å; V154-E158 WeakPolarHBondContact O-CG 3.37Å; V154-E158 PolarHBondContact O-N 2.91Å; V154-I171 HydrophobicContact CG2-CD1 4.22Å; V154-I171 HydrophobicContact CG2-CG1 4.31Å; V154-A188 HydrophobicContact CG2-CB 4.01Å; V154-R191 HydrophobicContact CG1-CB 4.27Å; V154-R191 HydrophobicContact CG1-CG 3.92Å; V154-A192 HydrophobicContact CG1-CB 3.79Å; V154-A192 HydrophobicContact CG2-CB 4.08Å
155K98.6Very high96.7Very high103 Ų10352 Ų5245%0.44830%0.297SS..Hα-helixtrans-62-40.1176.6-72.4169.8-178175.60112.2M151 E152 E158 E159M151-K155 WeakPolarHBondContact O-CG 3.5Å; M151-K155 PolarHBondContact O-N 2.71Å; M151-K155 VanDerWaalsContact O-N 3.08Å; E152-K155 WeakPolarHBondContact O-CB 3.2Å; E152-K155 PolarHBondContact O-N 3.06Å; E152-K155 VanDerWaalsContact O-N 3.13Å; K155-E158 WeakPolarHBondContact O-CB 3.47Å; K155-E158 PolarHBondContact O-N 2.8Å; K155-E159 PolarHBondContact O-N 2.89Å
156L98.5Very high96.8Very high21 Ų2149.6 Ų49.611%0.1129%0.292CS..Hα-helixtrans-64.9-46174.7-72171.3000111.1K112 K113 I116 E152 T153 V154 E158 E159 F160K112-L156 HydrophobicContact CB-CD1 3.68Å; K112-L156 HydrophobicContact CD-CD1 4.38Å; K113-L156 HydrophobicContact CB-CD2 4.21Å; I116-L156 HydrophobicContact CD1-CB 3.9Å; I116-L156 HydrophobicContact CD1-CD1 4.3Å; E152-L156 PolarHBondContact O-N 3.13Å; T153-L156 PolarHBondContact O-N 3.3Å; V154-L156 VanDerWaalsContact C-N 3.33Å; V154-L156 PolarHBondContact O-N 3.44Å; L156-E158 VanDerWaalsContact C-N 3.28Å; L156-E158 PolarHBondContact O-N 2.71Å; L156-E159 WeakPolarHBondContact O-CB 3.48Å; L156-E159 PolarHBondContact O-N 2.76Å; L156-F160 WeakPolarHBondContact O-CD2 3.38Å; L156-F160 PolarHBondContact O-N 2.97Å
157A98.7Very high97.2Very high0 Ų049.1 Ų49.10%028%0.284CS..Hα-helixtrans-60.1-38.5176.200000112.4V139 T153 V154 F160 M161 V168 I171 L197V139-A157 HydrophobicContact CB-CB 3.92Å; V139-A157 HydrophobicContact CG2-CB 3.69Å; T153-A157 PolarHBondContact O-N 3.08Å; V154-A157 PolarHBondContact O-N 2.86Å; A157-F160 PolarHBondContact O-N 2.62Å; A157-M161 VanDerWaalsContact O-CB 3.23Å; A157-M161 WeakPolarHBondContact O-CB 3.41Å; A157-M161 PolarHBondContact O-N 2.98Å; A157-V168 HydrophobicContact CB-CG1 4.47Å; A157-I171 HydrophobicContact CB-CD1 3.39Å; A157-I171 HydrophobicContact CB-CG1 4.39Å; A157-L197 HydrophobicContact CB-CD1 3.72Å; A157-L197 HydrophobicContact CB-CD2 4.24Å
158E98.3Very high97.4Very high27 Ų2747.2 Ų47.213%0.12627%0.268CS..Hα-helixtrans-60.5-48.1173.5-75.7174.3172.700111.7V154 K155 L156 M161 L162 R191 S195 L197V154-E158 HydrophobicContact CG1-CG 4.38Å; V154-E158 VanDerWaalsContact O-CG 3.28Å; V154-E158 WeakPolarHBondContact O-CG 3.37Å; V154-E158 PolarHBondContact O-N 2.91Å; K155-E158 WeakPolarHBondContact O-CB 3.47Å; K155-E158 PolarHBondContact O-N 2.8Å; L156-E158 VanDerWaalsContact C-N 3.28Å; L156-E158 PolarHBondContact O-N 2.71Å; E158-M161 PolarHBondContact O-N 3.02Å; E158-L162 WeakPolarHBondContact O-CG 2.99Å; E158-L162 PolarHBondContact O-N 2.9Å; E158-R191 WeakPolarHBondContact OE1-CG 3.3Å; E158-R191 IonicContact OE1-NE 3.94Å; E158-R191 PolarHBondContact OE1-NE 3.46Å; E158-R191 VanDerWaalsContact OE1-NE 3.12Å; E158-R191 IonicContact OE2-CZ 3Å; E158-R191 IonicContact OE2-NE 3.29Å; E158-R191 PolarHBondContact OE2-NE 3.48Å; E158-R191 IonicContact OE2-NH2 2.7Å; E158-R191 PolarHBondContact OE2-NH2 2.94Å; E158-S195 VanDerWaalsContact CG-OG 3.29Å; E158-S195 WeakPolarHBondContact CG-OG 3.41Å; E158-S195 VanDerWaalsContact OE1-CB 3.29Å; E158-S195 WeakPolarHBondContact OE1-CB 3.23Å; E158-S195 PolarHBondContact OE1-OG 3.26Å; E158-L197 HydrophobicContact CG-CD1 3.89Å
159E98.4Very high97.5Very high83 Ų8339.7 Ų39.739%0.38823%0.234SC..Hα-helixtrans-57.7-49.7177-178.7-178.8163.300111K113 K155 L156 L162 S163K113-E159 IonicContact NZ-OE1 3.13Å; K113-E159 PolarHBondContact NZ-OE1 2.67Å; K155-E159 PolarHBondContact O-N 2.89Å; L156-E159 WeakPolarHBondContact O-CB 3.48Å; L156-E159 PolarHBondContact O-N 2.76Å; E159-L162 PolarHBondContact O-N 2.88Å; E159-S163 WeakPolarHBondContact O-CB 3.35Å; E159-S163 PolarHBondContact O-N 3.1Å; E159-S163 VanDerWaalsContact O-N 3.07Å; E159-S163 PolarHBondContact O-OG 3.46Å; E159-S163 VanDerWaalsContact O-OG 3.09Å
160F98.6Very high97.6Very high9 Ų937.8 Ų37.84%0.03922%0.223CC..Hα-helixtrans-74-29.7-177.8-75.4-70.9000113.8K113 I116 E117 I120 L156 A157 L162 S163 S164 V168K113-F160 HydrophobicContact CG-CE2 4.1Å; K113-F160 HydrophobicContact CG-CZ 3.84Å; I116-F160 HydrophobicContact CB-CD2 4.01Å; I116-F160 HydrophobicContact CB-CE2 3.8Å; I116-F160 HydrophobicContact CB-CZ 4.24Å; I116-F160 HydrophobicContact CD1-CD2 3.97Å; I116-F160 HydrophobicContact CD1-CE2 4.01Å; I116-F160 HydrophobicContact CG2-CB 4.29Å; I116-F160 HydrophobicContact CG2-CD1 4.09Å; I116-F160 HydrophobicContact CG2-CD2 3.45Å; I116-F160 VanDerWaalsContact CG2-CD2 3.45Å; I116-F160 HydrophobicContact CG2-CE1 4.32Å; I116-F160 HydrophobicContact CG2-CE2 3.73Å; I116-F160 HydrophobicContact CG2-CG 3.67Å; I116-F160 HydrophobicContact CG2-CZ 4.16Å; E117-F160 HydrophobicContact CG-CE1 3.57Å; E117-F160 HydrophobicContact CG-CZ 3.51Å; I120-F160 HydrophobicContact CD1-CB 4.25Å; I120-F160 HydrophobicContact CD1-CD1 3.47Å; I120-F160 VanDerWaalsContact CD1-CD1 3.47Å; I120-F160 HydrophobicContact CD1-CE1 4.09Å; I120-F160 HydrophobicContact CD1-CG 4.03Å; L156-F160 WeakPolarHBondContact O-CD2 3.38Å; L156-F160 PolarHBondContact O-N 2.97Å; A157-F160 PolarHBondContact O-N 2.62Å; F160-L162 PolarHBondContact O-N 3.06Å; F160-S163 WeakPolarHBondContact CA-OG 3.39Å; F160-S163 PolarHBondContact O-N 2.82Å; F160-S164 WeakPolarHBondContact O-CB 3.47Å; F160-S164 PolarHBondContact O-N 2.95Å; F160-S164 PolarHBondContact O-OG 3.19Å; F160-V168 HydrophobicContact CB-CB 4.11Å; F160-V168 HydrophobicContact CB-CG1 4.44Å; F160-V168 HydrophobicContact CB-CG2 3.61Å
161M98Very high97.7Very high41 Ų4137.8 Ų37.820%0.20222%0.223CC..Hα-helixtrans-59.4-39.4171.9177-177.469.500111A157 E158 S195 L197A157-M161 VanDerWaalsContact O-CB 3.23Å; A157-M161 WeakPolarHBondContact O-CB 3.41Å; A157-M161 PolarHBondContact O-N 2.98Å; E158-M161 PolarHBondContact O-N 3.02Å; M161-S195 WeakPolarHBondContact CE-O 3.19Å; M161-L197 HydrophobicContact CB-CD2 3.94Å; M161-L197 HydrophobicContact CE-CG 4.24Å; M161-L197 HydrophobicContact CG-CD2 4.2Å; M161-L197 HydrophobicContact SD-CD2 3.59Å; M161-L197 VanDerWaalsContact SD-CD2 3.59Å; M161-L197 HydrophobicContact SD-CG 3.72Å
162L96.9Very high97.7Very high146 Ų14635.5 Ų35.576%0.76421%0.211SC*.Hα-helixtrans-77.9-32.2179.1-64.3173.9000113.3E158 E159 F160E158-L162 WeakPolarHBondContact O-CG 2.99Å; E158-L162 PolarHBondContact O-N 2.9Å; E159-L162 PolarHBondContact O-N 2.88Å; F160-L162 PolarHBondContact O-N 3.06Å
163S97.5Very high97.7Very high79 Ų7932 Ų3255%0.55220%0.195SC*.Hα-helixtrans-98.8-20.6-172.868.40000115E159 F160 G165E159-S163 WeakPolarHBondContact O-CB 3.35Å; E159-S163 PolarHBondContact O-N 3.1Å; E159-S163 VanDerWaalsContact O-N 3.07Å; E159-S163 PolarHBondContact O-OG 3.46Å; E159-S163 VanDerWaalsContact O-OG 3.09Å; F160-S163 WeakPolarHBondContact CA-OG 3.39Å; F160-S163 PolarHBondContact O-N 2.82Å; S163-G165 PolarHBondContact O-N 3.03Å
164S96Very high97.5Very high11 Ų1132 Ų328%0.07720%0.195CC..THydrogen-bonded Turntrans-87.44.6-172.768.90000115.2F160 G166 L167 V168F160-S164 WeakPolarHBondContact O-CB 3.47Å; F160-S164 PolarHBondContact O-N 2.95Å; F160-S164 PolarHBondContact O-OG 3.19Å; S164-G166 VanDerWaalsContact C-N 3.31Å; S164-G166 PolarHBondContact O-N 3.36Å; S164-L167 WeakPolarHBondContact O-CG 3.35Å; S164-L167 PolarHBondContact OG-N 2.87Å; S164-V168 PolarHBondContact OG-N 3.42Å; S164-V168 VanDerWaalsContact OG-N 3.11Å
165G93.1Very high97Very high79 Ų7932.8 Ų32.881%0.81420%0.204SC*.THydrogen-bonded Turntrans67.131.7-176.500000113.3S163S163-G165 PolarHBondContact O-N 3.03Å
166G93.4Very high96.5Very high34 Ų3429 Ų2935%0.35119%0.188SC..SBendtrans84.417.6178.500000115.1R136 S164 V169R136-G166 WeakPolarHBondContact CD-O 3.46Å; R136-G166 PolarHBondContact NE-O 2.64Å; S164-G166 VanDerWaalsContact C-N 3.31Å; S164-G166 PolarHBondContact O-N 3.36Å; G166-V169 WeakPolarHBondContact O-CG1 3.47Å
167L98Very high95.7Very high15 Ų1528.5 Ų28.58%0.07919%0.187CC..  trans-76.6-41.5174.5-67.2175.4000112.1I120 I123 Q124 R136 F137 S164I120-L167 HydrophobicContact CG2-CD1 3.9Å; I123-L167 HydrophobicContact CG2-CD1 4.22Å; I123-L167 HydrophobicContact CG2-CD2 3.86Å; Q124-L167 HydrophobicContact CG-CD1 3.88Å; R136-L167 CarbonylContact C-O 3.59Å; R136-L167 WeakPolarHBondContact CA-O 3.03Å; F137-L167 PolarHBondContact N-O 3.39Å; S164-L167 WeakPolarHBondContact O-CG 3.35Å; S164-L167 PolarHBondContact OG-N 2.87Å
168V98.7Very high95Very high1 Ų133.4 Ų33.41%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-84.6117.3172.1-178.80000109.4I120 F137 V139 A157 F160 S164 L197I120-V168 HydrophobicContact CD1-CG2 3.93Å; I120-V168 HydrophobicContact CG1-CG2 4.39Å; F137-V168 HydrophobicContact CB-CG2 4.38Å; F137-V168 HydrophobicContact CD1-CG2 4.06Å; F137-V168 WeakPolarHBondContact O-CA 3.4Å; V139-V168 HydrophobicContact CG2-CG1 3.8Å; A157-V168 HydrophobicContact CB-CG1 4.47Å; F160-V168 HydrophobicContact CB-CB 4.11Å; F160-V168 HydrophobicContact CB-CG1 4.44Å; F160-V168 HydrophobicContact CB-CG2 3.61Å; S164-V168 PolarHBondContact OG-N 3.42Å; S164-V168 VanDerWaalsContact OG-N 3.11Å; V168-L197 HydrophobicContact CG1-CD2 4.46Å
169V98.6Very high94.2Very high17 Ų1735 Ų3510%0.10323%0.228CC..EExtended strand (participates in β ladder)trans-118.2-13.1-169.5-640000113.9R136 F137 L138 G166 K198 F326R136-V169 HydrophobicContact CB-CG1 4.01Å; R136-V169 HydrophobicContact CB-CG2 3.79Å; R136-V169 HydrophobicContact CG-CG1 3.92Å; R136-V169 HydrophobicContact CG-CG2 4.46Å; F137-V169 PolarHBondContact O-N 3.24Å; L138-V169 HydrophobicContact CD2-CG2 4.11Å; G166-V169 WeakPolarHBondContact O-CG1 3.47Å; V169-K198 WeakPolarHBondContact O-CB 3.47Å; V169-K198 PolarHBondContact O-N 2.7Å; V169-F326 HydrophobicContact CB-CB 4.04Å; V169-F326 HydrophobicContact CG2-CB 3.78Å; V169-F326 HydrophobicContact CG2-CD2 4.25Å
170G98.6Very high93Very high0 Ų033.7 Ų33.70%024%0.237CC..EExtended strand (participates in β ladder)trans-176.6-174.3-174.400000115.4L138 V139 K198L138-G170 WeakPolarHBondContact CA-O 3.32Å; L138-G170 VanDerWaalsContact CD2-CA 3.4Å; V139-G170 PolarHBondContact N-O 3.03Å; V139-G170 VanDerWaalsContact N-O 3.1Å; G170-K198 CarbonylContact C-O 3.58Å; G170-K198 WeakPolarHBondContact CA-O 3.32Å
171I98.8Very high92.1Very high0 Ų036.2 Ų36.20%025%0.25CS..EExtended strand (participates in β ladder)trans-114.8138.7176.7-65.9-63.7000109V139 I141 V154 A157 L189 A192 L197 K198 L199 S200V139-I171 HydrophobicContact CB-CD1 4.13Å; V139-I171 WeakPolarHBondContact O-CA 3.32Å; V139-I171 WeakPolarHBondContact O-CD1 3.27Å; I141-I171 HydrophobicContact CD1-CG2 3.58Å; I141-I171 HydrophobicContact CG1-CG2 3.97Å; V154-I171 HydrophobicContact CG2-CD1 4.22Å; V154-I171 HydrophobicContact CG2-CG1 4.31Å; A157-I171 HydrophobicContact CB-CD1 3.39Å; A157-I171 HydrophobicContact CB-CG1 4.39Å; I171-L189 HydrophobicContact CG2-CD2 4.32Å; I171-A192 HydrophobicContact CG1-CB 3.82Å; I171-L197 HydrophobicContact CD1-CD1 4.42Å; I171-L197 HydrophobicContact CG1-CD1 4.1Å; I171-K198 PolarHBondContact N-O 3.25Å; I171-L199 HydrophobicContact CB-CD2 4.02Å; I171-S200 PolarHBondContact O-N 3.44Å
172D98.7Very high91.3Very high0 Ų034.2 Ų34.20%024%0.241CC..EExtended strand (participates in β ladder)trans-100.7143.4161.2169.652.9000109.8H19 R98 L138 V139 A140 I141 S174 S200 H202H19-D172 IonicContact CE1-OD2 3.76Å; R98-D172 HydrophobicContact CB-CB 4.33Å; R98-D172 IonicContact NH1-OD1 3.4Å; R98-D172 PolarHBondContact NH1-OD1 2.69Å; L138-D172 HydrophobicContact CB-CB 4.33Å; V139-D172 PolarHBondContact O-N 2.98Å; V139-D172 VanDerWaalsContact O-N 3.17Å; A140-D172 CarbonylContact C-O 3.56Å; A140-D172 WeakPolarHBondContact CA-O 3.35Å; A140-D172 HydrophobicContact CB-CB 3.9Å; A140-D172 WeakPolarHBondContact CB-OD2 3.45Å; I141-D172 PolarHBondContact N-O 3.28Å; D172-S174 WeakPolarHBondContact OD2-CB 3.23Å; D172-S174 PolarHBondContact OD2-OG 2.95Å; D172-S200 CarbonylContact C-O 3.56Å; D172-S200 VanDerWaalsContact CA-O 3.25Å; D172-S200 WeakPolarHBondContact CA-O 3.34Å; D172-H202 IonicContact OD1-CE1 2.57Å; D172-H202 PolarHBondContact OD1-CE1 3.27Å; D172-H202 IonicContact OD1-ND1 2.63Å; D172-H202 PolarHBondContact OD1-ND1 3.5Å; D172-H202 IonicContact OD2-CE1 3.88Å
173L97.5Very high91Very high0 Ų035 Ų350%023%0.234CC..EExtended strand (participates in β ladder)trans-113.3116.3164174.464.7000108.6I141 R143 L185 L189 S200 L201 H202 L216I141-L173 HydrophobicContact CB-CD1 4.15Å; I141-L173 HydrophobicContact CG2-CD1 3.95Å; R143-L173 HydrophobicContact CG-CD1 3.73Å; R143-L173 HydrophobicContact CG-CG 4.26Å; L173-L185 HydrophobicContact CD1-CD1 3.55Å; L173-L185 HydrophobicContact CD2-CD1 4.2Å; L173-L189 HydrophobicContact CD2-CD1 4.26Å; L173-S200 PolarHBondContact N-O 2.62Å; L173-L201 HydrophobicContact CB-CB 4.38Å; L173-L201 HydrophobicContact CB-CD2 3.43Å; L173-L201 VanDerWaalsContact CB-CD2 3.43Å; L173-L201 HydrophobicContact CB-CG 4.46Å; L173-L201 HydrophobicContact CD2-CD2 4.19Å; L173-L201 HydrophobicContact CG-CD2 4.45Å; L173-H202 VanDerWaalsContact O-CB 3.23Å; L173-H202 WeakPolarHBondContact O-CB 3.26Å; L173-H202 PolarHBondContact O-N 3.42Å; L173-H202 PolarHBondContact O-ND1 3.09Å; L173-L216 HydrophobicContact CD2-CD1 4.3Å; L173-L216 HydrophobicContact CD2-CD2 4.4Å
174S94.6Very high90.7Very high5 Ų533.8 Ų33.84%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-146.2-161.3-173.755.50000111.6I141 R143 D172 H202I141-S174 PolarHBondContact O-N 2.88Å; R143-S174 WeakPolarHBondContact CD-O 3.37Å; R143-S174 WeakPolarHBondContact CG-O 3.17Å; R143-S174 PolarHBondContact N-O 2.86Å; D172-S174 WeakPolarHBondContact OD2-CB 3.23Å; D172-S174 PolarHBondContact OD2-OG 2.95Å; S174-H202 WeakPolarHBondContact CB-CE1 3.2Å
175G88.6Confident90.6Very high18 Ų1833.3 Ų33.319%0.18622%0.221CC..SBendtrans90.8-164.1-173.700000111.9P177G175-P177 VanDerWaalsContact O-CD 3.23Å; G175-P177 WeakPolarHBondContact O-CD 3.41Å
176D86.6Confident90.7Very high23 Ų2331.6 Ų31.612%0.12319%0.193CC..  trans-66.6114.6-174.5-173.3-20.2000111.5F60 R144 T178 V179F60-D176 HydrophobicContact CE2-CB 4.16Å; F60-D176 HydrophobicContact CZ-CB 4.06Å; R144-D176 HydrophobicContact CG-CB 4.11Å; D176-T178 PolarHBondContact O-N 3.45Å; D176-T178 WeakPolarHBondContact OD1-CB 3.43Å; D176-T178 PolarHBondContact OD1-N 3.37Å; D176-T178 PolarHBondContact OD1-OG1 3.01Å; D176-T178 PolarHBondContact OD2-OG1 3.23Å; D176-V179 HydrophobicContact CB-CB 4.21Å; D176-V179 HydrophobicContact CB-CG2 4.12Å; D176-V179 PolarHBondContact O-N 2.79Å; D176-V179 WeakPolarHBondContact OD2-CG2 3.23Å
177P82.9Confident90.9Very high11 Ų1133.7 Ų33.77%0.07120%0.2CC..THydrogen-bonded Turntrans-68.6-12.1-178.527.3-33.7000113.5G175 E205 V206 Q209G175-P177 VanDerWaalsContact O-CD 3.23Å; G175-P177 WeakPolarHBondContact O-CD 3.41Å; P177-E205 HydrophobicContact CB-CB 4.29Å; P177-E205 HydrophobicContact CG-CB 4.29Å; P177-V206 HydrophobicContact CB-CG1 4.47Å; P177-V206 HydrophobicContact CB-CG2 4.16Å; P177-V206 HydrophobicContact CG-CG1 3.73Å; P177-V206 HydrophobicContact CG-CG2 4.23Å; P177-Q209 VanDerWaalsContact CB-NE2 3.26Å; P177-Q209 PolarHBondContact O-NE2 3.26Å
178T82.7Confident90.9Very high103 Ų10333 Ų3363%0.63220%0.197SC*.THydrogen-bonded Turntrans-94.4-6.3-179.673.40000113.4D176 V206D176-T178 PolarHBondContact O-N 3.45Å; D176-T178 WeakPolarHBondContact OD1-CB 3.43Å; D176-T178 PolarHBondContact OD1-N 3.37Å; D176-T178 PolarHBondContact OD1-OG1 3.01Å; D176-T178 PolarHBondContact OD2-OG1 3.23Å; T178-V206 HydrophobicContact CG2-CG2 4.36Å
179V81.3Confident90.8Very high61 Ų6133 Ų3337%0.3720%0.197SC..SBendtrans-116.8144.4-175.4-179.60000110.8R144 D176R144-V179 HydrophobicContact CG-CB 4.18Å; R144-V179 HydrophobicContact CG-CG1 4.02Å; D176-V179 HydrophobicContact CB-CB 4.21Å; D176-V179 HydrophobicContact CB-CG2 4.12Å; D176-V179 PolarHBondContact O-N 2.79Å; D176-V179 WeakPolarHBondContact OD2-CG2 3.23Å
180G73.6Confident90.8Very high55 Ų5535.9 Ų35.957%0.56721%0.209SC*.SBendtrans86.4-178-178.600000112.6
181D80Confident90.8Very high61 Ų6140.4 Ų40.433%0.32623%0.226SC..  trans-133.7113177179.9-15.3000107.9R183 C184D181-R183 PolarHBondContact O-N 2.96Å; D181-R183 WeakPolarHBondContact OD1-CB 3.33Å; D181-R183 VanDerWaalsContact OD1-CG 3.3Å; D181-R183 WeakPolarHBondContact OD1-CG 3.48Å; D181-R183 IonicContact OD1-CZ 3Å; D181-R183 PolarHBondContact OD1-N 3.39Å; D181-R183 IonicContact OD1-NE 2.67Å; D181-R183 PolarHBondContact OD1-NE 2.84Å; D181-R183 IonicContact OD1-NH2 3.48Å; D181-R183 IonicContact OD2-CZ 2.79Å; D181-R183 IonicContact OD2-NE 3.64Å; D181-R183 PolarHBondContact OD2-NE 2.86Å; D181-R183 IonicContact OD2-NH2 3.34Å; D181-R183 PolarHBondContact OD2-NH2 3.19Å; D181-C184 PolarHBondContact O-N 3.42Å; D181-C184 PolarHBondContact O-SG 2.89Å
182G81.9Confident90.8Very high0 Ų040.4 Ų40.40%023%0.226CC..Hα-helixtrans-50.2-25.217900000114.3C184 L185 L186 E212G182-C184 VanDerWaalsContact C-N 3.3Å; G182-C184 PolarHBondContact O-N 2.56Å; G182-L185 PolarHBondContact O-N 2.98Å; G182-L185 VanDerWaalsContact O-N 3.14Å; G182-L186 PolarHBondContact O-N 2.72Å; G182-E212 WeakPolarHBondContact CA-OE1 3.49Å; G182-E212 PolarHBondContact N-OE1 2.89Å; G182-E212 VanDerWaalsContact N-OE1 3.08Å
183R89.1Confident90.7Very high163 Ų16345.5 Ų45.562%0.61525%0.246SC*.Hα-helixtrans-59.5-38.4175-67178.2-73.2-167.5-2.7112.8D181 L185 L186 L215D181-R183 PolarHBondContact O-N 2.96Å; D181-R183 WeakPolarHBondContact OD1-CB 3.33Å; D181-R183 VanDerWaalsContact OD1-CG 3.3Å; D181-R183 WeakPolarHBondContact OD1-CG 3.48Å; D181-R183 IonicContact OD1-CZ 3Å; D181-R183 PolarHBondContact OD1-N 3.39Å; D181-R183 IonicContact OD1-NE 2.67Å; D181-R183 PolarHBondContact OD1-NE 2.84Å; D181-R183 IonicContact OD1-NH2 3.48Å; D181-R183 IonicContact OD2-CZ 2.79Å; D181-R183 IonicContact OD2-NE 3.64Å; D181-R183 PolarHBondContact OD2-NE 2.86Å; D181-R183 IonicContact OD2-NH2 3.34Å; D181-R183 PolarHBondContact OD2-NH2 3.19Å; R183-L185 PolarHBondContact O-N 3.19Å; R183-L186 PolarHBondContact O-N 3.36Å; R183-L215 HydrophobicContact CB-CD2 4.07Å; R183-L215 HydrophobicContact CG-CD1 3.97Å; R183-L215 HydrophobicContact CG-CD2 3.23Å; R183-L215 HydrophobicContact CG-CG 4.22Å
184C91.9Very high90.7Very high52 Ų5251.2 Ų51.235%0.35128%0.276SS..Hα-helixtrans-73.2-18.6-178.279.70000112.2A147 D181 G182 P187A147-C184 HydrophobicContact CB-CB 4.11Å; A147-C184 VanDerWaalsContact CB-O 3.23Å; A147-C184 WeakPolarHBondContact CB-O 3.39Å; D181-C184 PolarHBondContact O-N 3.42Å; D181-C184 PolarHBondContact O-SG 2.89Å; G182-C184 VanDerWaalsContact C-N 3.3Å; G182-C184 PolarHBondContact O-N 2.56Å; C184-P187 WeakPolarHBondContact O-CD 3.42Å
185L94.4Very high90.9Very high2 Ų253 Ų531%0.0129%0.289CS..Hα-helixtrans-90.5-21.2-179.1-53.6-179.2000112.8R143 A150 L173 G182 R183 P187 A188 L189R143-L185 HydrophobicContact CG-CD1 4.29Å; A150-L185 HydrophobicContact CB-CD2 3.81Å; L173-L185 HydrophobicContact CD1-CD1 3.55Å; L173-L185 HydrophobicContact CD2-CD1 4.2Å; G182-L185 PolarHBondContact O-N 2.98Å; G182-L185 VanDerWaalsContact O-N 3.14Å; R183-L185 PolarHBondContact O-N 3.19Å; L185-P187 VanDerWaalsContact C-CD 3.46Å; L185-P187 VanDerWaalsContact C-N 3.35Å; L185-A188 WeakPolarHBondContact O-CB 3.45Å; L185-A188 PolarHBondContact O-N 3.24Å; L185-L189 WeakPolarHBondContact O-CG 3.47Å; L185-L189 PolarHBondContact O-N 3.16Å
186L94.9Very high91.3Very high43 Ų4354.5 Ų54.523%0.22530%0.304CS..Hα-helixtrans-50.9-42.5179.8-73-179.7000114.4G182 R183 A188 L189 Q190 L215 L216 L219G182-L186 PolarHBondContact O-N 2.72Å; R183-L186 PolarHBondContact O-N 3.36Å; L186-A188 VanDerWaalsContact C-N 3.31Å; L186-A188 PolarHBondContact O-N 3.35Å; L186-L189 PolarHBondContact O-N 3.34Å; L186-Q190 WeakPolarHBondContact O-CB 3.48Å; L186-Q190 PolarHBondContact O-N 2.69Å; L186-L215 HydrophobicContact CD1-CD1 3.74Å; L186-L215 HydrophobicContact CD1-CD2 4.26Å; L186-L215 HydrophobicContact CD1-CG 3.92Å; L186-L216 HydrophobicContact CD2-CD2 4.17Å; L186-L219 HydrophobicContact CD2-CB 4.44Å
187P97Very high91.9Very high77 Ų7753.6 Ų53.650%0.530%0.299SS..Hα-helixtrans-61.4-37.9177.4-24.836000113.3M151 C184 L185 R191M151-P187 HydrophobicContact CE-CB 4.27Å; C184-P187 WeakPolarHBondContact O-CD 3.42Å; L185-P187 VanDerWaalsContact C-CD 3.46Å; L185-P187 VanDerWaalsContact C-N 3.35Å; P187-R191 WeakPolarHBondContact O-CB 3.5Å; P187-R191 PolarHBondContact O-N 3.25Å; P187-R191 VanDerWaalsContact O-N 3.09Å
188A97.9Very high92.6Very high2 Ų256.8 Ų56.82%0.01731%0.312CS..Hα-helixtrans-69.4-47.3177.100000110.8A150 M151 V154 L185 L186 Q190 R191 A192A150-A188 HydrophobicContact CB-CB 3.92Å; M151-A188 HydrophobicContact CE-CB 4.22Å; V154-A188 HydrophobicContact CG2-CB 4.01Å; L185-A188 WeakPolarHBondContact O-CB 3.45Å; L185-A188 PolarHBondContact O-N 3.24Å; L186-A188 VanDerWaalsContact C-N 3.31Å; L186-A188 PolarHBondContact O-N 3.35Å; A188-Q190 VanDerWaalsContact C-N 3.34Å; A188-Q190 PolarHBondContact O-N 3.19Å; A188-R191 WeakPolarHBondContact O-CB 3.21Å; A188-R191 PolarHBondContact O-N 3.01Å; A188-A192 PolarHBondContact O-N 3.02Å
189L97.9Very high93.4Very high1 Ų151.9 Ų51.91%0.00528%0.282CS..Hα-helixtrans-61.5-41.3177.2-61.6178.1000112.2I141 I171 L173 L185 L186 R191 A192 R193 L199 L201 L216 L219I141-L189 HydrophobicContact CD1-CD2 4.25Å; I171-L189 HydrophobicContact CG2-CD2 4.32Å; L173-L189 HydrophobicContact CD2-CD1 4.26Å; L185-L189 WeakPolarHBondContact O-CG 3.47Å; L185-L189 PolarHBondContact O-N 3.16Å; L186-L189 PolarHBondContact O-N 3.34Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 3.22Å; L189-A192 PolarHBondContact O-N 3.26Å; L189-R193 PolarHBondContact O-N 3.24Å; L189-L199 HydrophobicContact CB-CD1 4.34Å; L189-L199 HydrophobicContact CD2-CD2 4.4Å; L189-L201 HydrophobicContact CD1-CD1 4.16Å; L189-L201 HydrophobicContact CD1-CD2 4.08Å; L189-L201 HydrophobicContact CD2-CD2 3.78Å; L189-L216 HydrophobicContact CD1-CD2 3.9Å; L189-L219 HydrophobicContact CB-CD2 3.59Å
190Q98.1Very high94.2Very high77 Ų7749 Ų4936%0.3626%0.264SS..Hα-helixtrans-63.2-40.6176.9-178.765.17500111.1L186 A188 R193 N194 L219L186-Q190 WeakPolarHBondContact O-CB 3.48Å; L186-Q190 PolarHBondContact O-N 2.69Å; A188-Q190 VanDerWaalsContact C-N 3.34Å; A188-Q190 PolarHBondContact O-N 3.19Å; Q190-R193 PolarHBondContact O-N 3.4Å; Q190-N194 PolarHBondContact NE2-OD1 3.47Å; Q190-N194 WeakPolarHBondContact O-CB 3.09Å; Q190-N194 PolarHBondContact O-N 3.11Å; Q190-N194 PolarHBondContact O-ND2 2.87Å; Q190-N194 PolarHBondContact O-OD1 2.85Å; Q190-L219 HydrophobicContact CB-CD2 4.12Å; Q190-L219 VanDerWaalsContact OE1-CD1 3.25Å
191R98.4Very high95.4Very high95 Ų9546.4 Ų46.436%0.35824%0.237SC..Hα-helixtrans-62.4-49.2175.1174.4177.3179.9143.92.7111.2M151 V154 E158 P187 A188 L189 R193 N194 S195M151-R191 WeakPolarHBondContact SD-CD 3.5Å; V154-R191 HydrophobicContact CG1-CB 4.27Å; V154-R191 HydrophobicContact CG1-CG 3.92Å; E158-R191 WeakPolarHBondContact OE1-CG 3.3Å; E158-R191 IonicContact OE1-NE 3.94Å; E158-R191 PolarHBondContact OE1-NE 3.46Å; E158-R191 VanDerWaalsContact OE1-NE 3.12Å; E158-R191 IonicContact OE2-CZ 3Å; E158-R191 IonicContact OE2-NE 3.29Å; E158-R191 PolarHBondContact OE2-NE 3.48Å; E158-R191 IonicContact OE2-NH2 2.7Å; E158-R191 PolarHBondContact OE2-NH2 2.94Å; P187-R191 WeakPolarHBondContact O-CB 3.5Å; P187-R191 PolarHBondContact O-N 3.25Å; P187-R191 VanDerWaalsContact O-N 3.09Å; A188-R191 WeakPolarHBondContact O-CB 3.21Å; A188-R191 PolarHBondContact O-N 3.01Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-R191 PolarHBondContact O-N 3.22Å; R191-R193 VanDerWaalsContact C-N 3.31Å; R191-R193 PolarHBondContact O-N 2.88Å; R191-N194 PolarHBondContact O-N 2.84Å; R191-S195 PolarHBondContact O-N 2.99Å; R191-S195 PolarHBondContact O-OG 3.06Å; R191-S195 VanDerWaalsContact O-OG 3.11Å
192A98.4Very high96.2Very high0 Ų043.8 Ų43.80%022%0.223CC..Hα-helixtrans-55.1-47.1177.600000111.6V154 I171 A188 L189 N194 S195 G196 L197 L199V154-A192 HydrophobicContact CG1-CB 3.79Å; V154-A192 HydrophobicContact CG2-CB 4.08Å; I171-A192 HydrophobicContact CG1-CB 3.82Å; A188-A192 PolarHBondContact O-N 3.02Å; L189-A192 PolarHBondContact O-N 3.26Å; A192-N194 VanDerWaalsContact C-N 3.34Å; A192-N194 PolarHBondContact O-N 2.88Å; A192-S195 WeakPolarHBondContact CA-OG 3.49Å; A192-S195 PolarHBondContact O-N 3.32Å; A192-S195 PolarHBondContact O-OG 2.65Å; A192-G196 PolarHBondContact O-N 2.87Å; A192-L197 HydrophobicContact CB-CB 4.12Å; A192-L197 HydrophobicContact CB-CD1 4.08Å; A192-L197 WeakPolarHBondContact O-CB 3.38Å; A192-L197 PolarHBondContact O-N 2.94Å; A192-L199 HydrophobicContact CB-CD2 3.88Å
193R97.6Very high96.7Very high107 Ų10743.8 Ų43.840%0.40422%0.223SC..Hα-helixtrans-59.9-43.5175.2-173-177-175138.67.2112.5L189 Q190 R191 S195 G196 L199 P220L189-R193 PolarHBondContact O-N 3.24Å; Q190-R193 PolarHBondContact O-N 3.4Å; R191-R193 VanDerWaalsContact C-N 3.31Å; R191-R193 PolarHBondContact O-N 2.88Å; R193-S195 VanDerWaalsContact C-N 3.26Å; R193-S195 PolarHBondContact O-N 3.3Å; R193-G196 PolarHBondContact O-N 3.17Å; R193-G196 VanDerWaalsContact O-N 3.12Å; R193-L199 HydrophobicContact CB-CD1 4.23Å; R193-P220 PolarHBondContact NH1-O 3.12Å
194N97.9Very high97Very high120 Ų12036.1 Ų36.164%0.64220%0.195SC*.Hα-helixtrans-67.3-26.5-178.6-70.6-8.6000112.9Q190 R191 A192 G196Q190-N194 PolarHBondContact NE2-OD1 3.47Å; Q190-N194 WeakPolarHBondContact O-CB 3.09Å; Q190-N194 PolarHBondContact O-N 3.11Å; Q190-N194 PolarHBondContact O-ND2 2.87Å; Q190-N194 PolarHBondContact O-OD1 2.85Å; R191-N194 PolarHBondContact O-N 2.84Å; A192-N194 VanDerWaalsContact C-N 3.34Å; A192-N194 PolarHBondContact O-N 2.88Å; N194-G196 VanDerWaalsContact C-N 3.33Å
195S97.3Very high96.9Very high43 Ų4334.7 Ų34.730%0.30118%0.183SC..Hα-helixtrans-83.9-9.1174.148.50000113.5E158 M161 R191 A192 R193E158-S195 VanDerWaalsContact CG-OG 3.29Å; E158-S195 WeakPolarHBondContact CG-OG 3.41Å; E158-S195 VanDerWaalsContact OE1-CB 3.29Å; E158-S195 WeakPolarHBondContact OE1-CB 3.23Å; E158-S195 PolarHBondContact OE1-OG 3.26Å; M161-S195 WeakPolarHBondContact CE-O 3.19Å; R191-S195 PolarHBondContact O-N 2.99Å; R191-S195 PolarHBondContact O-OG 3.06Å; R191-S195 VanDerWaalsContact O-OG 3.11Å; A192-S195 WeakPolarHBondContact CA-OG 3.49Å; A192-S195 PolarHBondContact O-N 3.32Å; A192-S195 PolarHBondContact O-OG 2.65Å; R193-S195 VanDerWaalsContact C-N 3.26Å; R193-S195 PolarHBondContact O-N 3.3Å
196G97.3Very high96.6Very high49 Ų4935.5 Ų35.551%0.50519%0.187SC..THydrogen-bonded Turntrans99.4-0.7178.100000114.4A192 R193 N194A192-G196 PolarHBondContact O-N 2.87Å; R193-G196 PolarHBondContact O-N 3.17Å; R193-G196 VanDerWaalsContact O-N 3.12Å; N194-G196 VanDerWaalsContact C-N 3.33Å
197L98.6Very high96.2Very high3 Ų337.2 Ų37.22%0.01620%0.201CC..  trans-63.7137.3170.8-71.4162.6000110A157 E158 M161 V168 I171 A192A157-L197 HydrophobicContact CB-CD1 3.72Å; A157-L197 HydrophobicContact CB-CD2 4.24Å; E158-L197 HydrophobicContact CG-CD1 3.89Å; M161-L197 HydrophobicContact CB-CD2 3.94Å; M161-L197 HydrophobicContact CE-CG 4.24Å; M161-L197 HydrophobicContact CG-CD2 4.2Å; M161-L197 HydrophobicContact SD-CD2 3.59Å; M161-L197 VanDerWaalsContact SD-CD2 3.59Å; M161-L197 HydrophobicContact SD-CG 3.72Å; V168-L197 HydrophobicContact CG1-CD2 4.46Å; I171-L197 HydrophobicContact CD1-CD1 4.42Å; I171-L197 HydrophobicContact CG1-CD1 4.1Å; A192-L197 HydrophobicContact CB-CB 4.12Å; A192-L197 HydrophobicContact CB-CD1 4.08Å; A192-L197 WeakPolarHBondContact O-CB 3.38Å; A192-L197 PolarHBondContact O-N 2.94Å
198K98.7Very high95.3Very high79 Ų7939.4 Ų39.434%0.34322%0.219SC..EExtended strand (participates in β ladder)trans-76.1149.5173-62.2-57.3-163.7170.70111.5V169 G170 I171 D222 F326V169-K198 WeakPolarHBondContact O-CB 3.47Å; V169-K198 PolarHBondContact O-N 2.7Å; G170-K198 CarbonylContact C-O 3.58Å; G170-K198 WeakPolarHBondContact CA-O 3.32Å; I171-K198 PolarHBondContact N-O 3.25Å; K198-D222 WeakPolarHBondContact CA-OD2 3.42Å; K198-D222 HydrophobicContact CD-CB 4.44Å; K198-D222 WeakPolarHBondContact CD-OD1 3.37Å; K198-D222 IonicContact NZ-OD1 3.89Å; K198-D222 PolarHBondContact NZ-OD1 3Å; K198-F326 HydrophobicContact CB-CB 4.03Å; K198-F326 HydrophobicContact CB-CD1 3.63Å; K198-F326 HydrophobicContact CB-CD2 3.34Å; K198-F326 HydrophobicContact CB-CE1 3.82Å; K198-F326 HydrophobicContact CB-CE2 3.52Å; K198-F326 HydrophobicContact CB-CG 3.39Å; K198-F326 HydrophobicContact CB-CZ 3.76Å; K198-F326 HydrophobicContact CD-CD1 4.31Å; K198-F326 HydrophobicContact CG-CB 3.76Å; K198-F326 HydrophobicContact CG-CD1 3.73Å; K198-F326 HydrophobicContact CG-CD2 4.06Å; K198-F326 HydrophobicContact CG-CE1 4.32Å; K198-F326 HydrophobicContact CG-CG 3.58Å
199L98.8Very high94.6Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-113.6118.7179.9-59-175.4000111I171 L189 A192 R193 L201 L219 P221 D222 R223I171-L199 HydrophobicContact CB-CD2 4.02Å; L189-L199 HydrophobicContact CB-CD1 4.34Å; L189-L199 HydrophobicContact CD2-CD2 4.4Å; A192-L199 HydrophobicContact CB-CD2 3.88Å; R193-L199 HydrophobicContact CB-CD1 4.23Å; L199-L201 HydrophobicContact CB-CD2 4.45Å; L199-L219 HydrophobicContact CD1-CD2 4.22Å; L199-L219 HydrophobicContact CD1-CG 4.44Å; L199-P221 HydrophobicContact CB-CB 4.13Å; L199-D222 PolarHBondContact N-OD2 3.26Å; L199-D222 WeakPolarHBondContact O-CA 3.33Å; L199-D222 WeakPolarHBondContact O-CB 3.32Å; L199-D222 PolarHBondContact O-N 2.79Å; L199-R223 PolarHBondContact O-N 3.23Å
200S98.7Very high94.2Very high0 Ų043.6 Ų43.60%024%0.24CC..EExtended strand (participates in β ladder)trans-108.5124.7159.1-168.10000108.4I171 D172 L173 R223 E252I171-S200 PolarHBondContact O-N 3.44Å; D172-S200 CarbonylContact C-O 3.56Å; D172-S200 VanDerWaalsContact CA-O 3.25Å; D172-S200 WeakPolarHBondContact CA-O 3.34Å; L173-S200 PolarHBondContact N-O 2.62Å; S200-R223 WeakPolarHBondContact CA-O 3.49Å; S200-E252 PolarHBondContact OG-OE1 3.48Å; S200-E252 PolarHBondContact OG-OE2 3.5Å; S200-E252 VanDerWaalsContact OG-OE2 3.11Å
201L98.1Very high93.8Very high1 Ų148.1 Ų48.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-121.4127.7-177.3-52.1179.5000109.6L173 L189 L199 M203 L216 P221 R223 I224 G225L173-L201 HydrophobicContact CB-CB 4.38Å; L173-L201 HydrophobicContact CB-CD2 3.43Å; L173-L201 VanDerWaalsContact CB-CD2 3.43Å; L173-L201 HydrophobicContact CB-CG 4.46Å; L173-L201 HydrophobicContact CD2-CD2 4.19Å; L173-L201 HydrophobicContact CG-CD2 4.45Å; L189-L201 HydrophobicContact CD1-CD1 4.16Å; L189-L201 HydrophobicContact CD1-CD2 4.08Å; L189-L201 HydrophobicContact CD2-CD2 3.78Å; L199-L201 HydrophobicContact CB-CD2 4.45Å; L201-M203 HydrophobicContact CB-CG 3.84Å; L201-M203 HydrophobicContact CB-SD 4.03Å; L201-M203 HydrophobicContact CD1-SD 4.34Å; L201-M203 PolarHBondContact O-N 3.2Å; L201-L216 HydrophobicContact CD1-CB 4.41Å; L201-L216 HydrophobicContact CD1-CD2 4.42Å; L201-P221 HydrophobicContact CB-CB 4.37Å; L201-P221 HydrophobicContact CD1-CB 3.74Å; L201-P221 HydrophobicContact CD1-CG 4.09Å; L201-P221 HydrophobicContact CG-CB 3.72Å; L201-P221 HydrophobicContact CG-CG 4.32Å; L201-R223 PolarHBondContact N-O 3.33Å; L201-I224 CarbonylContact O-C 3.6Å; L201-I224 WeakPolarHBondContact O-CA 3.19Å; L201-G225 PolarHBondContact O-N 2.85Å
202H97Very high93.5Very high6 Ų645 Ų453%0.02825%0.25CS..EExtended strand (participates in β ladder)trans-67.2120.1164.4-66.856.6000108.7H17 H19 R98 R143 D172 L173 S174 E205 H226H17-H202 AromaticContact CE1-CD2 3.78Å; H17-H202 AromaticContact CE1-CE1 3.27Å; H17-H202 PolarHBondContact CE1-CE1 2.87Å; H17-H202 AromaticContact CE1-ND1 3.95Å; H17-H202 AromaticContact CE1-NE2 3.15Å; H17-H202 PolarHBondContact CE1-NE2 3.07Å; H17-H202 AromaticContact NE2-CD2 4Å; H17-H202 AromaticContact NE2-CE1 3.29Å; H17-H202 PolarHBondContact NE2-CE1 2.96Å; H17-H202 VanDerWaalsContact NE2-CE1 3.29Å; H17-H202 AromaticContact NE2-NE2 3.01Å; H17-H202 PolarHBondContact NE2-NE2 3.31Å; H19-H202 AromaticContact CE1-CE1 3.5Å; H19-H202 AromaticContact CE1-NE2 3.46Å; H19-H202 PolarHBondContact CE1-NE2 3.32Å; H19-H202 AromaticContact NE2-CE1 3.67Å; H19-H202 AromaticContact NE2-NE2 3.26Å; H19-H202 PolarHBondContact NE2-NE2 3.05Å; R98-H202 PolarHBondContact NH1-CE1 3.15Å; R143-H202 PolarHBondContact NH2-O 3.16Å; D172-H202 IonicContact OD1-CE1 2.57Å; D172-H202 PolarHBondContact OD1-CE1 3.27Å; D172-H202 IonicContact OD1-ND1 2.63Å; D172-H202 PolarHBondContact OD1-ND1 3.5Å; D172-H202 IonicContact OD2-CE1 3.88Å; L173-H202 VanDerWaalsContact O-CB 3.23Å; L173-H202 WeakPolarHBondContact O-CB 3.26Å; L173-H202 PolarHBondContact O-N 3.42Å; L173-H202 PolarHBondContact O-ND1 3.09Å; S174-H202 WeakPolarHBondContact CB-CE1 3.2Å; H202-E205 HydrophobicContact CB-CG 4.36Å; H202-E205 VanDerWaalsContact CB-OE2 3.29Å; H202-E205 WeakPolarHBondContact CB-OE2 3.42Å; H202-E205 IonicContact CD2-OE1 2.8Å; H202-E205 IonicContact CD2-OE2 2.8Å; H202-H226 AromaticContact CD2-CD2 3.45Å; H202-H226 PolarHBondContact CD2-CD2 3.17Å; H202-H226 VanDerWaalsContact CD2-CD2 3.45Å; H202-H226 AromaticContact CD2-NE2 3.37Å; H202-H226 PolarHBondContact CD2-NE2 3.32Å; H202-H226 AromaticContact NE2-NE2 3.74Å
203M93.7Very high93.2Very high0 Ų045 Ų450%025%0.25CS..EExtended strand (participates in β ladder)trans-141.4146.8-175.6-59.7179.859.400110.7L201 E205 S213 L216 L217 P221 I224 G225 G227L201-M203 HydrophobicContact CB-CG 3.84Å; L201-M203 HydrophobicContact CB-SD 4.03Å; L201-M203 HydrophobicContact CD1-SD 4.34Å; L201-M203 PolarHBondContact O-N 3.2Å; M203-E205 PolarHBondContact O-N 3.27Å; M203-S213 VanDerWaalsContact CE-O 3.31Å; M203-S213 WeakPolarHBondContact CE-O 3.41Å; M203-L216 HydrophobicContact CE-CB 3.56Å; M203-L216 HydrophobicContact CE-CD1 4.25Å; M203-L216 HydrophobicContact CG-CD1 3.96Å; M203-L216 HydrophobicContact SD-CB 4.04Å; M203-L216 HydrophobicContact SD-CD1 4.34Å; M203-L217 HydrophobicContact CE-CD2 4.11Å; M203-L217 HydrophobicContact CE-CG 3.82Å; M203-P221 HydrophobicContact SD-CG 4.13Å; M203-I224 HydrophobicContact CB-CG2 3.89Å; M203-I224 HydrophobicContact CG-CG2 4.4Å; M203-I224 HydrophobicContact SD-CG1 4.01Å; M203-G225 PolarHBondContact N-O 2.71Å; M203-G227 VanDerWaalsContact O-CA 3.3Å; M203-G227 WeakPolarHBondContact O-CA 3.23Å; M203-G227 PolarHBondContact O-N 3.08Å; M203-G227 VanDerWaalsContact O-N 3.14Å
204S94.3Very high93Very high2 Ų242 Ų421%0.01424%0.241CC..SBendtrans51.145.4176.6-44.20000112Q209 S213 T228 F229 L230S204-Q209 VanDerWaalsContact CA-OE1 3.28Å; S204-S213 WeakPolarHBondContact OG-CB 3.44Å; S204-S213 PolarHBondContact OG-OG 3.49Å; S204-T228 PolarHBondContact O-N 3.41Å; S204-T228 VanDerWaalsContact O-N 3.11Å; S204-F229 WeakPolarHBondContact O-CB 3.19Å; S204-F229 WeakPolarHBondContact O-CD2 3.13Å; S204-F229 PolarHBondContact O-N 3.03Å; S204-L230 VanDerWaalsContact OG-CD2 3.31Å; S204-L230 WeakPolarHBondContact OG-CD2 3.47Å
205E91.1Very high92.7Very high22 Ų2238.1 Ų38.110%0.10322%0.22CC..  trans-81.5-31.3179.6-70.5-178.688.900112.4P177 H202 M203 H226 F229 T263P177-E205 HydrophobicContact CB-CB 4.29Å; P177-E205 HydrophobicContact CG-CB 4.29Å; H202-E205 HydrophobicContact CB-CG 4.36Å; H202-E205 VanDerWaalsContact CB-OE2 3.29Å; H202-E205 WeakPolarHBondContact CB-OE2 3.42Å; H202-E205 IonicContact CD2-OE1 2.8Å; H202-E205 IonicContact CD2-OE2 2.8Å; M203-E205 PolarHBondContact O-N 3.27Å; E205-H226 HydrophobicContact CG-CB 3.97Å; E205-H226 IonicContact OE1-CD2 3.15Å; E205-H226 PolarHBondContact OE1-CD2 3.27Å; E205-H226 IonicContact OE1-NE2 3.99Å; E205-H226 PolarHBondContact OE1-NE2 3Å; E205-F229 VanDerWaalsContact C-CD2 3.48Å; E205-F229 VanDerWaalsContact O-CD2 3.32Å; E205-F229 WeakPolarHBondContact O-CD2 3.46Å; E205-F229 WeakPolarHBondContact O-CE2 3.34Å; E205-T263 WeakPolarHBondContact O-CG2 3.15Å
206V88Confident92.5Very high18 Ų1836.1 Ų36.111%0.10921%0.206CC..SBendtrans-123.4158.4-179.2-60.50000110.3L56 P177 T178 Q209 F229L56-V206 HydrophobicContact CD1-CG1 3.67Å; P177-V206 HydrophobicContact CB-CG1 4.47Å; P177-V206 HydrophobicContact CB-CG2 4.16Å; P177-V206 HydrophobicContact CG-CG1 3.73Å; P177-V206 HydrophobicContact CG-CG2 4.23Å; T178-V206 HydrophobicContact CG2-CG2 4.36Å; V206-Q209 HydrophobicContact CG2-CG 3.63Å; V206-F229 VanDerWaalsContact C-CD2 3.49Å
207P84.8Confident92.4Very high80 Ų8033.9 Ų33.952%0.51918%0.182SC..THydrogen-bonded Turntrans-54.4155173.3-21.430.2000111.9Q209 F229P207-Q209 VanDerWaalsContact C-N 3.34Å; P207-Q209 PolarHBondContact O-N 3.37Å; P207-F229 HydrophobicContact CB-CD1 4.29Å; P207-F229 HydrophobicContact CB-CE1 4.14Å; P207-F229 HydrophobicContact CG-CD1 4.16Å; P207-F229 HydrophobicContact CG-CE1 3.56Å; P207-F229 HydrophobicContact CG-CE2 4.44Å; P207-F229 HydrophobicContact CG-CZ 3.72Å
208S78.8Confident92.1Very high123 Ų12339 Ų3986%0.8621%0.21SC*.THydrogen-bonded Turntrans70.116172.3-480000116.7L210S208-L210 VanDerWaalsContact C-N 3.3Å; S208-L210 PolarHBondContact O-N 3.02Å
209Q83.9Confident91.8Very high18 Ų1835.8 Ų35.88%0.08420%0.196CC..  trans-87.618173.8-70.5-165.6-50.100114.8P177 S204 V206 P207 E211 E212 S213P177-Q209 VanDerWaalsContact CB-NE2 3.26Å; P177-Q209 PolarHBondContact O-NE2 3.26Å; S204-Q209 VanDerWaalsContact CA-OE1 3.28Å; V206-Q209 HydrophobicContact CG2-CG 3.63Å; P207-Q209 VanDerWaalsContact C-N 3.34Å; P207-Q209 PolarHBondContact O-N 3.37Å; Q209-E211 PolarHBondContact O-N 3.25Å; Q209-E212 PolarHBondContact O-N 3.43Å; Q209-S213 WeakPolarHBondContact O-CB 3.32Å; Q209-S213 PolarHBondContact O-N 3.05Å; Q209-S213 PolarHBondContact O-OG 3.26Å
210L88.6Confident91.5Very high73 Ų7338.4 Ų38.438%0.38221%0.213SC..Hα-helixtrans-57.2-47-173.3177.158.9000112.5S208 S213 E214 L240S208-L210 VanDerWaalsContact C-N 3.3Å; S208-L210 PolarHBondContact O-N 3.02Å; L210-S213 PolarHBondContact O-N 2.91Å; L210-E214 HydrophobicContact CD1-CG 4.06Å; L210-E214 WeakPolarHBondContact O-CG 3.32Å; L210-E214 PolarHBondContact O-N 3.39Å; L210-L240 HydrophobicContact CD1-CD1 3.53Å; L210-L240 HydrophobicContact CD1-CG 3.91Å
211E90.6Very high91.5Very high171 Ų17138.7 Ų38.780%0.79922%0.215SC*.Hα-helixtrans-63.9-45.2-177.9-65.8-175.5179.800112.3Q209 S213 E214 L215Q209-E211 PolarHBondContact O-N 3.25Å; E211-S213 VanDerWaalsContact C-N 3.32Å; E211-S213 PolarHBondContact O-N 3.12Å; E211-E214 PolarHBondContact O-N 2.98Å; E211-L215 VanDerWaalsContact O-CB 3.29Å; E211-L215 WeakPolarHBondContact O-CB 3.36Å; E211-L215 PolarHBondContact O-N 3.25Å
212E91Very high91.5Very high30 Ų3041 Ų4114%0.1423%0.227CC..Hα-helixtrans-64.9-39.4176.1-172.1-177.7-111.500111.1R143 G182 Q209 L215 L216R143-E212 IonicContact CZ-OE1 2.7Å; R143-E212 IonicContact CZ-OE2 2.9Å; R143-E212 VanDerWaalsContact CZ-OE2 3.29Å; R143-E212 IonicContact NH1-OE1 2.89Å; R143-E212 PolarHBondContact NH1-OE1 3.26Å; R143-E212 IonicContact NH1-OE2 3.64Å; R143-E212 PolarHBondContact NH1-OE2 3.33Å; R143-E212 IonicContact NH2-OE2 3.39Å; R143-E212 PolarHBondContact NH2-OE2 2.87Å; G182-E212 WeakPolarHBondContact CA-OE1 3.49Å; G182-E212 PolarHBondContact N-OE1 2.89Å; G182-E212 VanDerWaalsContact N-OE1 3.08Å; Q209-E212 PolarHBondContact O-N 3.43Å; E212-L215 WeakPolarHBondContact O-CB 3.34Å; E212-L215 PolarHBondContact O-N 3.38Å; E212-L216 HydrophobicContact CG-CD1 3.92Å; E212-L216 HydrophobicContact CG-CG 4.12Å; E212-L216 WeakPolarHBondContact O-CB 3.49Å; E212-L216 WeakPolarHBondContact O-CG 3.37Å; E212-L216 PolarHBondContact O-N 2.86Å
213S93.3Very high91.6Very high0 Ų040.8 Ų40.80%023%0.226CC..Hα-helixtrans-64.8-44.1179.9-55.60000111.4M203 S204 Q209 L210 E211 L215 L216 L217M203-S213 VanDerWaalsContact CE-O 3.31Å; M203-S213 WeakPolarHBondContact CE-O 3.41Å; S204-S213 WeakPolarHBondContact OG-CB 3.44Å; S204-S213 PolarHBondContact OG-OG 3.49Å; Q209-S213 WeakPolarHBondContact O-CB 3.32Å; Q209-S213 PolarHBondContact O-N 3.05Å; Q209-S213 PolarHBondContact O-OG 3.26Å; L210-S213 PolarHBondContact O-N 2.91Å; E211-S213 VanDerWaalsContact C-N 3.32Å; E211-S213 PolarHBondContact O-N 3.12Å; S213-L215 VanDerWaalsContact C-N 3.3Å; S213-L215 PolarHBondContact O-N 3.06Å; S213-L216 PolarHBondContact O-N 3.49Å; S213-L217 WeakPolarHBondContact O-CB 3.49Å; S213-L217 WeakPolarHBondContact O-CG 3.45Å; S213-L217 PolarHBondContact O-N 2.96Å
214E92.7Very high91.8Very high45 Ų4540.8 Ų40.821%0.2123%0.226CC..Hα-helixtrans-62.8-38.9174.6-72.6-69.5-177.700111.8L210 E211 N218 S237 S239 L240 R243L210-E214 HydrophobicContact CD1-CG 4.06Å; L210-E214 WeakPolarHBondContact O-CG 3.32Å; L210-E214 PolarHBondContact O-N 3.39Å; E211-E214 PolarHBondContact O-N 2.98Å; E214-N218 PolarHBondContact O-N 3.03Å; E214-N218 PolarHBondContact O-OD1 2.86Å; E214-S237 PolarHBondContact OE1-OG 3.22Å; E214-S239 VanDerWaalsContact OE1-CB 3.22Å; E214-S239 WeakPolarHBondContact OE1-CB 3.17Å; E214-S239 PolarHBondContact OE1-OG 3.27Å; E214-S239 PolarHBondContact OE2-OG 3.12Å; E214-L240 HydrophobicContact CB-CD2 4.49Å; E214-L240 HydrophobicContact CG-CD2 3.8Å; E214-L240 HydrophobicContact CG-CG 4.48Å; E214-R243 PolarHBondContact O-NH1 2.78Å; E214-R243 IonicContact OE2-CZ 3.12Å; E214-R243 IonicContact OE2-NH1 3.33Å; E214-R243 PolarHBondContact OE2-NH1 2.96Å
215L92.5Very high92Very high37 Ų3740.7 Ų40.719%0.19423%0.226CC..Hα-helixtrans-64.7-52.7176.9176.679.9000111.9R183 L186 E211 E212 S213 L217 N218R183-L215 HydrophobicContact CB-CD2 4.07Å; R183-L215 HydrophobicContact CG-CD1 3.97Å; R183-L215 HydrophobicContact CG-CD2 3.23Å; R183-L215 HydrophobicContact CG-CG 4.22Å; L186-L215 HydrophobicContact CD1-CD1 3.74Å; L186-L215 HydrophobicContact CD1-CD2 4.26Å; L186-L215 HydrophobicContact CD1-CG 3.92Å; E211-L215 VanDerWaalsContact O-CB 3.29Å; E211-L215 WeakPolarHBondContact O-CB 3.36Å; E211-L215 PolarHBondContact O-N 3.25Å; E212-L215 WeakPolarHBondContact O-CB 3.34Å; E212-L215 PolarHBondContact O-N 3.38Å; S213-L215 VanDerWaalsContact C-N 3.3Å; S213-L215 PolarHBondContact O-N 3.06Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 PolarHBondContact O-N 3.06Å; L215-N218 WeakPolarHBondContact O-CB 3.37Å; L215-N218 PolarHBondContact O-N 2.89Å
216L92.9Very high92.3Very high1 Ų139.9 Ų39.91%0.00522%0.222CC..Hα-helixtrans-62.9-37.1-178.1-72.3177000110.9L173 L186 L189 L201 M203 E212 S213 N218 L219L173-L216 HydrophobicContact CD2-CD1 4.3Å; L173-L216 HydrophobicContact CD2-CD2 4.4Å; L186-L216 HydrophobicContact CD2-CD2 4.17Å; L189-L216 HydrophobicContact CD1-CD2 3.9Å; L201-L216 HydrophobicContact CD1-CB 4.41Å; L201-L216 HydrophobicContact CD1-CD2 4.42Å; M203-L216 HydrophobicContact CE-CB 3.56Å; M203-L216 HydrophobicContact CE-CD1 4.25Å; M203-L216 HydrophobicContact CG-CD1 3.96Å; M203-L216 HydrophobicContact SD-CB 4.04Å; M203-L216 HydrophobicContact SD-CD1 4.34Å; E212-L216 HydrophobicContact CG-CD1 3.92Å; E212-L216 HydrophobicContact CG-CG 4.12Å; E212-L216 WeakPolarHBondContact O-CB 3.49Å; E212-L216 WeakPolarHBondContact O-CG 3.37Å; E212-L216 PolarHBondContact O-N 2.86Å; S213-L216 PolarHBondContact O-N 3.49Å; L216-N218 PolarHBondContact O-N 2.99Å; L216-N218 VanDerWaalsContact O-N 3.13Å; L216-L219 CarbonylContact O-C 3.23Å; L216-L219 VanDerWaalsContact O-C 3.23Å; L216-L219 PolarHBondContact O-N 3.11Å
217L94.2Very high92.7Very high2 Ų239 Ų391%0.0122%0.216CC..THydrogen-bonded Turntrans-65.4-13.6174.2-72.7-178.9000113.7M203 S213 L215 L219 P220 I224 L240 R243 I249M203-L217 HydrophobicContact CE-CD2 4.11Å; M203-L217 HydrophobicContact CE-CG 3.82Å; S213-L217 WeakPolarHBondContact O-CB 3.49Å; S213-L217 WeakPolarHBondContact O-CG 3.45Å; S213-L217 PolarHBondContact O-N 2.96Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 PolarHBondContact O-N 3.06Å; L217-L219 PolarHBondContact O-N 2.85Å; L217-P220 VanDerWaalsContact O-CD 3.31Å; L217-P220 WeakPolarHBondContact O-CD 3.27Å; L217-P220 WeakPolarHBondContact O-CG 3.16Å; L217-I224 HydrophobicContact CD2-CD1 4.18Å; L217-L240 HydrophobicContact CD1-CD2 3.6Å; L217-R243 HydrophobicContact CD1-CB 3.91Å; L217-R243 PolarHBondContact O-NH2 2.8Å; L217-I249 HydrophobicContact CD2-CD1 3.96Å
218N91.9Very high93.3Very high112 Ų11235.2 Ų35.260%0.59919%0.192SC*.THydrogen-bonded Turntrans-68-20.8172.4-65.5-28.7000111.7E214 L215 L216 P220 R243E214-N218 PolarHBondContact O-N 3.03Å; E214-N218 PolarHBondContact O-OD1 2.86Å; L215-N218 WeakPolarHBondContact O-CB 3.37Å; L215-N218 PolarHBondContact O-N 2.89Å; L216-N218 PolarHBondContact O-N 2.99Å; L216-N218 VanDerWaalsContact O-N 3.13Å; N218-P220 WeakPolarHBondContact O-CD 3.48Å; N218-R243 VanDerWaalsContact CA-NH2 3.34Å; N218-R243 PolarHBondContact OD1-NH1 3.48Å; N218-R243 PolarHBondContact OD1-NH2 3.3Å
219L93.4Very high94.2Very high11 Ų1130.6 Ų30.66%0.05816%0.156CC..SBendtrans-11477.7163.7-177.666000107.9L186 L189 Q190 L199 L216 L217 P221L186-L219 HydrophobicContact CD2-CB 4.44Å; L189-L219 HydrophobicContact CB-CD2 3.59Å; Q190-L219 HydrophobicContact CB-CD2 4.12Å; Q190-L219 VanDerWaalsContact OE1-CD1 3.25Å; L199-L219 HydrophobicContact CD1-CD2 4.22Å; L199-L219 HydrophobicContact CD1-CG 4.44Å; L216-L219 CarbonylContact O-C 3.23Å; L216-L219 VanDerWaalsContact O-C 3.23Å; L216-L219 PolarHBondContact O-N 3.11Å; L217-L219 PolarHBondContact O-N 2.85Å; L219-P221 VanDerWaalsContact O-N 3.12Å
220P92.9Very high94.7Very high54 Ų5429.8 Ų29.835%0.35115%0.152SC..  trans-53.7122.8-169.2-22.928.8000111.1R193 L217 N218 I249R193-P220 PolarHBondContact NH1-O 3.12Å; L217-P220 VanDerWaalsContact O-CD 3.31Å; L217-P220 WeakPolarHBondContact O-CD 3.27Å; L217-P220 WeakPolarHBondContact O-CG 3.16Å; N218-P220 WeakPolarHBondContact O-CD 3.48Å; P220-I249 HydrophobicContact CB-CD1 4.15Å
221P97.7Very high95Very high6 Ų626.5 Ų26.54%0.03914%0.135CC..  trans-72.3164.3176.532.6-36.7000110.9L199 L201 M203 L219 R223 I224 I249L199-P221 HydrophobicContact CB-CB 4.13Å; L201-P221 HydrophobicContact CB-CB 4.37Å; L201-P221 HydrophobicContact CD1-CB 3.74Å; L201-P221 HydrophobicContact CD1-CG 4.09Å; L201-P221 HydrophobicContact CG-CB 3.72Å; L201-P221 HydrophobicContact CG-CG 4.32Å; M203-P221 HydrophobicContact SD-CG 4.13Å; L219-P221 VanDerWaalsContact O-N 3.12Å; P221-R223 WeakPolarHBondContact CB-O 3.39Å; P221-I224 HydrophobicContact CG-CG1 3.9Å; P221-I249 HydrophobicContact CG-CG2 4.36Å
222D98.7Very high95.2Very high51 Ų5121.1 Ų21.127%0.27312%0.115SC..SBendtrans-76.2-28.5174.1-62.1-97.1000111.2K198 L199 P250 F326K198-D222 WeakPolarHBondContact CA-OD2 3.42Å; K198-D222 HydrophobicContact CD-CB 4.44Å; K198-D222 WeakPolarHBondContact CD-OD1 3.37Å; K198-D222 IonicContact NZ-OD1 3.89Å; K198-D222 PolarHBondContact NZ-OD1 3Å; L199-D222 PolarHBondContact N-OD2 3.26Å; L199-D222 WeakPolarHBondContact O-CA 3.33Å; L199-D222 WeakPolarHBondContact O-CB 3.32Å; L199-D222 PolarHBondContact O-N 2.79Å; D222-P250 VanDerWaalsContact O-CD 3.23Å; D222-P250 WeakPolarHBondContact O-CD 3.44Å; D222-F326 HydrophobicContact CB-CD1 4.37Å; D222-F326 HydrophobicContact CB-CE1 3.4Å; D222-F326 HydrophobicContact CB-CZ 3.78Å
223R98.8Very high95.3Very high1 Ų127.1 Ų27.10%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-145.2158.8170.3-64.4-166.8-53.4-99.4-5112.2E96 L199 S200 L201 P221 P250 E252 C324 F326E96-R223 IonicContact OE1-NH1 3.07Å; E96-R223 IonicContact OE2-CZ 2.62Å; E96-R223 IonicContact OE2-NH1 2.71Å; E96-R223 PolarHBondContact OE2-NH1 2.67Å; E96-R223 IonicContact OE2-NH2 3.45Å; E96-R223 PolarHBondContact OE2-NH2 3.11Å; L199-R223 PolarHBondContact O-N 3.23Å; S200-R223 WeakPolarHBondContact CA-O 3.49Å; L201-R223 PolarHBondContact N-O 3.33Å; P221-R223 WeakPolarHBondContact CB-O 3.39Å; R223-P250 WeakPolarHBondContact CA-O 3.4Å; R223-P250 HydrophobicContact CG-CB 4.17Å; R223-P250 HydrophobicContact CG-CG 4.26Å; R223-E252 HydrophobicContact CB-CG 4.35Å; R223-E252 IonicContact CZ-OE1 3.67Å; R223-E252 VanDerWaalsContact CZ-OE1 3.29Å; R223-E252 IonicContact NE-OE1 3.71Å; R223-E252 PolarHBondContact NE-OE1 2.98Å; R223-E252 IonicContact NH2-OE1 3.09Å; R223-E252 PolarHBondContact NH2-OE1 3.11Å; R223-C324 WeakPolarHBondContact CD-O 3.35Å; R223-C324 PolarHBondContact NH1-O 3.4Å; R223-F326 HydrophobicContact CB-CZ 4.35Å; R223-F326 HydrophobicContact CG-CE1 3.91Å; R223-F326 HydrophobicContact CG-CZ 4.05Å; R223-F326 VanDerWaalsContact NH1-CG 3.34Å; R223-F326 VanDerWaalsContact NH1-CZ 3.26Å
224I98.7Very high95.3Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-114.9125.2173-64.5161.9000109.5L201 M203 L217 P221 L230 I249 P250 L251 E252L201-I224 CarbonylContact O-C 3.6Å; L201-I224 WeakPolarHBondContact O-CA 3.19Å; M203-I224 HydrophobicContact CB-CG2 3.89Å; M203-I224 HydrophobicContact CG-CG2 4.4Å; M203-I224 HydrophobicContact SD-CG1 4.01Å; L217-I224 HydrophobicContact CD2-CD1 4.18Å; P221-I224 HydrophobicContact CG-CG1 3.9Å; I224-L230 HydrophobicContact CD1-CD1 4.16Å; I224-L230 HydrophobicContact CG2-CD1 4.2Å; I224-I249 HydrophobicContact CD1-CB 4.4Å; I224-I249 HydrophobicContact CD1-CG2 3.88Å; I224-I249 HydrophobicContact CG1-CG2 3.8Å; I224-P250 PolarHBondContact N-O 3.31Å; I224-L251 HydrophobicContact CB-CD2 3.69Å; I224-L251 HydrophobicContact CD1-CD2 4.05Å; I224-L251 HydrophobicContact CG1-CD2 4.43Å; I224-L251 HydrophobicContact CG2-CD2 4.03Å; I224-L251 WeakPolarHBondContact O-CA 3.38Å; I224-E252 PolarHBondContact O-N 3.14Å
225G98.3Very high95.3Very high0 Ų029.6 Ų29.60%017%0.17CC..EExtended strand (participates in β ladder)trans-76.3131.9169.300000111.4L201 M203 G227L201-G225 PolarHBondContact O-N 2.85Å; M203-G225 PolarHBondContact N-O 2.71Å; G225-G227 VanDerWaalsContact C-N 3.32Å; G225-G227 PolarHBondContact O-N 3.13Å
226H97.2Very high95.4Very high4 Ų428.6 Ų28.62%0.01917%0.169CC..EExtended strand (participates in β ladder)trans61.7-77-175.9-50.9-75000114.2H17 H202 E205 T228 E252 N258 H271 D287H17-H226 AromaticContact CE1-NE2 3.66Å; H17-H226 AromaticContact NE2-NE2 3.93Å; H202-H226 AromaticContact CD2-CD2 3.45Å; H202-H226 PolarHBondContact CD2-CD2 3.17Å; H202-H226 VanDerWaalsContact CD2-CD2 3.45Å; H202-H226 AromaticContact CD2-NE2 3.37Å; H202-H226 PolarHBondContact CD2-NE2 3.32Å; H202-H226 AromaticContact NE2-NE2 3.74Å; E205-H226 HydrophobicContact CG-CB 3.97Å; E205-H226 IonicContact OE1-CD2 3.15Å; E205-H226 PolarHBondContact OE1-CD2 3.27Å; E205-H226 IonicContact OE1-NE2 3.99Å; E205-H226 PolarHBondContact OE1-NE2 3Å; H226-T228 PolarHBondContact O-N 3.04Å; H226-E252 WeakPolarHBondContact CA-O 3.21Å; H226-E252 PolarHBondContact N-O 2.86Å; H226-N258 PolarHBondContact ND1-ND2 2.94Å; H226-H271 PolarHBondContact O-CE1 3.37Å; H226-H271 PolarHBondContact O-NE2 2.97Å; H226-D287 IonicContact CE1-OD2 2.65Å; H226-D287 PolarHBondContact CE1-OD2 3.44Å; H226-D287 VanDerWaalsContact CE1-OD2 3.31Å; H226-D287 IonicContact NE2-OD2 3.49Å
227G96.4Very high95.5Very high0 Ų029.5 Ų29.50%018%0.176CC..  trans65.823.3-176.600000114.3M203 G225 F229 L230M203-G227 VanDerWaalsContact O-CA 3.3Å; M203-G227 WeakPolarHBondContact O-CA 3.23Å; M203-G227 PolarHBondContact O-N 3.08Å; M203-G227 VanDerWaalsContact O-N 3.14Å; G225-G227 VanDerWaalsContact C-N 3.32Å; G225-G227 PolarHBondContact O-N 3.13Å; G227-F229 VanDerWaalsContact C-N 3.31Å; G227-F229 PolarHBondContact O-N 3.5Å; G227-L230 VanDerWaalsContact O-CB 3.32Å; G227-L230 WeakPolarHBondContact O-CB 3.45Å; G227-L230 WeakPolarHBondContact O-CG 3.18Å; G227-L230 PolarHBondContact O-N 2.98Å; G227-L230 VanDerWaalsContact O-N 3.14Å
228T96.7Very high95.7Very high0 Ų033.9 Ų33.90%020%0.196CC..THydrogen-bonded Turntrans-56.8-42.9-171.7-60.40000113.2S204 H226 M234 N258 V264 H271S204-T228 PolarHBondContact O-N 3.41Å; S204-T228 VanDerWaalsContact O-N 3.11Å; H226-T228 PolarHBondContact O-N 3.04Å; T228-M234 HydrophobicContact CG2-CE 3.89Å; T228-M234 WeakPolarHBondContact O-CB 3.06Å; T228-M234 WeakPolarHBondContact O-CG 3.29Å; T228-N258 PolarHBondContact OG1-OD1 2.85Å; T228-V264 HydrophobicContact CG2-CG1 3.65Å; T228-H271 VanDerWaalsContact CA-CD2 3.43Å; T228-H271 WeakPolarHBondContact CA-CD2 3.45Å; T228-H271 PolarHBondContact OG1-CD2 3Å; T228-H271 PolarHBondContact OG1-NE2 3.33Å
229F96.9Very high95.8Very high27 Ų2731.1 Ų31.112%0.11819%0.186CC..THydrogen-bonded Turntrans-99.823.7-177.5-64.6-94.4000112.2S204 E205 V206 P207 G227 M234 G236 T263S204-F229 WeakPolarHBondContact O-CB 3.19Å; S204-F229 WeakPolarHBondContact O-CD2 3.13Å; S204-F229 PolarHBondContact O-N 3.03Å; E205-F229 VanDerWaalsContact C-CD2 3.48Å; E205-F229 VanDerWaalsContact O-CD2 3.32Å; E205-F229 WeakPolarHBondContact O-CD2 3.46Å; E205-F229 WeakPolarHBondContact O-CE2 3.34Å; V206-F229 VanDerWaalsContact C-CD2 3.49Å; P207-F229 HydrophobicContact CB-CD1 4.29Å; P207-F229 HydrophobicContact CB-CE1 4.14Å; P207-F229 HydrophobicContact CG-CD1 4.16Å; P207-F229 HydrophobicContact CG-CE1 3.56Å; P207-F229 HydrophobicContact CG-CE2 4.44Å; P207-F229 HydrophobicContact CG-CZ 3.72Å; G227-F229 VanDerWaalsContact C-N 3.31Å; G227-F229 PolarHBondContact O-N 3.5Å; F229-M234 WeakPolarHBondContact CD1-O 3.37Å; F229-M234 WeakPolarHBondContact CE1-O 3.41Å; F229-G236 WeakPolarHBondContact O-CA 3.49Å; F229-G236 PolarHBondContact O-N 3.31Å; F229-T263 WeakPolarHBondContact CZ-O 3.48Å
230L96.3Very high96Very high0 Ų030.7 Ų30.70%018%0.183CC..SBendtrans-73.4-42.8178.9-80.2172.5000113S204 I224 G227 G236 S237 L240 L251 W275S204-L230 VanDerWaalsContact OG-CD2 3.31Å; S204-L230 WeakPolarHBondContact OG-CD2 3.47Å; I224-L230 HydrophobicContact CD1-CD1 4.16Å; I224-L230 HydrophobicContact CG2-CD1 4.2Å; G227-L230 VanDerWaalsContact O-CB 3.32Å; G227-L230 WeakPolarHBondContact O-CB 3.45Å; G227-L230 WeakPolarHBondContact O-CG 3.18Å; G227-L230 PolarHBondContact O-N 2.98Å; G227-L230 VanDerWaalsContact O-N 3.14Å; L230-G236 WeakPolarHBondContact O-CA 3.46Å; L230-S237 PolarHBondContact O-N 3.16Å; L230-S237 VanDerWaalsContact O-N 3.16Å; L230-L240 HydrophobicContact CD2-CB 4.19Å; L230-L240 HydrophobicContact CD2-CD1 4.2Å; L230-L251 HydrophobicContact CD1-CD2 3.72Å; L230-W275 HydrophobicContact CB-CZ2 3.85Å; L230-W275 HydrophobicContact CD1-CZ2 3.99Å
231H94.8Very high96.2Very high4 Ų428.2 Ų28.22%0.01917%0.167CC..SBendtrans-93.5153.9-17274.3101000112.7E233 M234 G235 G236 V241 Y274 W275H231-E233 VanDerWaalsContact C-N 3.29Å; H231-E233 IonicContact CE1-OE2 3.92Å; H231-E233 PolarHBondContact O-N 3.1Å; H231-M234 VanDerWaalsContact CE1-CG 3.47Å; H231-M234 WeakPolarHBondContact CE1-CG 3.49Å; H231-M234 WeakPolarHBondContact NE2-CG 3.46Å; H231-M234 PolarHBondContact O-N 3.38Å; H231-G235 PolarHBondContact O-N 3.38Å; H231-G236 PolarHBondContact O-N 3.28Å; H231-V241 HydrophobicContact CB-CG2 3.59Å; H231-Y274 HydrophobicContact CB-CD1 3.98Å; H231-Y274 HydrophobicContact CB-CE1 3.73Å; H231-Y274 AromaticContact CE1-CD2 4Å; H231-Y274 AromaticContact CE1-CG 3.81Å; H231-Y274 AromaticContact CG-CD1 3.85Å; H231-Y274 AromaticContact CG-CG 3.99Å; H231-Y274 AromaticContact ND1-CD2 3.75Å; H231-Y274 AromaticContact ND1-CG 3.76Å; H231-W275 HydrophobicContact CB-CZ2 4.42Å
232P94.1Very high96.2Very high59 Ų5932.2 Ų32.238%0.38319%0.188SC..G310 helixtrans-55.1-36.9-173.4-29.635.7000115.3M234 G235 Q238P232-M234 PolarHBondContact O-N 3.32Å; P232-G235 PolarHBondContact O-N 3.37Å; P232-G235 VanDerWaalsContact O-N 3.07Å; P232-Q238 HydrophobicContact CG-CB 4.33Å
233E92.4Very high96.1Very high156 Ų15633 Ų3373%0.72919%0.187SC*.G310 helixtrans-67.8-19.1-178.8-51.5-178.5156.500112.9H231H231-E233 VanDerWaalsContact C-N 3.29Å; H231-E233 IonicContact CE1-OE2 3.92Å; H231-E233 PolarHBondContact O-N 3.1Å
234M93.6Very high96.1Very high40 Ų4032.9 Ų32.920%0.19719%0.187CC..G310 helixtrans-100.6-0.2175.3-64.3-61.6-66.400112.7T228 F229 H231 P232 V264 H271T228-M234 HydrophobicContact CG2-CE 3.89Å; T228-M234 WeakPolarHBondContact O-CB 3.06Å; T228-M234 WeakPolarHBondContact O-CG 3.29Å; F229-M234 WeakPolarHBondContact CD1-O 3.37Å; F229-M234 WeakPolarHBondContact CE1-O 3.41Å; H231-M234 VanDerWaalsContact CE1-CG 3.47Å; H231-M234 WeakPolarHBondContact CE1-CG 3.49Å; H231-M234 WeakPolarHBondContact NE2-CG 3.46Å; H231-M234 PolarHBondContact O-N 3.38Å; P232-M234 PolarHBondContact O-N 3.32Å; M234-V264 HydrophobicContact CE-CG1 3.68Å; M234-H271 HydrophobicContact CG-CB 4.33Å
235G92.3Very high96Very high56 Ų5635.5 Ų35.558%0.57720%0.203SC*.THydrogen-bonded Turntrans101.48.9-178.500000115.1H231 P232H231-G235 PolarHBondContact O-N 3.38Å; P232-G235 PolarHBondContact O-N 3.37Å; P232-G235 VanDerWaalsContact O-N 3.07Å
236G95.1Very high96Very high16 Ų1644.4 Ų44.417%0.16524%0.241CC..  trans-85.2-148.9170.500000113.5F229 L230 H231F229-G236 WeakPolarHBondContact O-CA 3.49Å; F229-G236 PolarHBondContact O-N 3.31Å; L230-G236 WeakPolarHBondContact O-CA 3.46Å; H231-G236 PolarHBondContact O-N 3.28Å
237S96.1Very high96Very high21 Ų2146.6 Ų46.615%0.14727%0.265CS..  trans-139.5156-17987.70000112.3E214 L230 S239 L240 V241E214-S237 PolarHBondContact OE1-OG 3.22Å; L230-S237 PolarHBondContact O-N 3.16Å; L230-S237 VanDerWaalsContact O-N 3.16Å; S237-S239 PolarHBondContact O-N 3.29Å; S237-S239 PolarHBondContact OG-N 3.25Å; S237-L240 PolarHBondContact O-N 3.03Å; S237-L240 WeakPolarHBondContact OG-CG 3.29Å; S237-L240 PolarHBondContact OG-N 3.49Å; S237-L240 VanDerWaalsContact OG-N 3.12Å; S237-V241 PolarHBondContact O-N 3.34Å
238Q96.4Very high96Very high93 Ų9353.8 Ų53.844%0.43529%0.292SS..Hα-helixtrans-65.3-31.5175.1-17159.548.200111.3P232 L240 V241 D242P232-Q238 HydrophobicContact CG-CB 4.33Å; Q238-L240 PolarHBondContact O-N 3.06Å; Q238-V241 PolarHBondContact O-N 3.01Å; Q238-D242 PolarHBondContact NE2-OD1 3.39Å; Q238-D242 WeakPolarHBondContact O-CB 3.46Å; Q238-D242 PolarHBondContact O-N 3.46Å
239S95.9Very high96.1Very high55 Ų5554.1 Ų54.139%0.38529%0.294SS..Hα-helixtrans-58.2-46.4174168.30000111.6E214 S237 V241 D242 R243E214-S239 VanDerWaalsContact OE1-CB 3.22Å; E214-S239 WeakPolarHBondContact OE1-CB 3.17Å; E214-S239 PolarHBondContact OE1-OG 3.27Å; E214-S239 PolarHBondContact OE2-OG 3.12Å; S237-S239 PolarHBondContact O-N 3.29Å; S237-S239 PolarHBondContact OG-N 3.25Å; S239-V241 VanDerWaalsContact C-N 3.35Å; S239-V241 PolarHBondContact O-N 3.15Å; S239-D242 PolarHBondContact O-N 3.15Å; S239-R243 WeakPolarHBondContact O-CB 3.23Å; S239-R243 WeakPolarHBondContact O-CG 3.28Å; S239-R243 PolarHBondContact O-N 3.43Å
240L96.8Very high96.2Very high1 Ų153.5 Ų53.51%0.00529%0.293CS..Hα-helixtrans-60.3-44.4176.1-67.9179.8000111.8L210 E214 L217 L230 S237 Q238 R243 A244L210-L240 HydrophobicContact CD1-CD1 3.53Å; L210-L240 HydrophobicContact CD1-CG 3.91Å; E214-L240 HydrophobicContact CB-CD2 4.49Å; E214-L240 HydrophobicContact CG-CD2 3.8Å; E214-L240 HydrophobicContact CG-CG 4.48Å; L217-L240 HydrophobicContact CD1-CD2 3.6Å; L230-L240 HydrophobicContact CD2-CB 4.19Å; L230-L240 HydrophobicContact CD2-CD1 4.2Å; S237-L240 PolarHBondContact O-N 3.03Å; S237-L240 WeakPolarHBondContact OG-CG 3.29Å; S237-L240 PolarHBondContact OG-N 3.49Å; S237-L240 VanDerWaalsContact OG-N 3.12Å; Q238-L240 PolarHBondContact O-N 3.06Å; L240-R243 PolarHBondContact O-N 2.99Å; L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 3.08Å
241V97.6Very high96.3Very high3 Ų353.5 Ų53.52%0.01829%0.293CS..Hα-helixtrans-60.5-50.9176.71760000111.1H231 S237 Q238 S239 R243 A244 V245 Y274 W275 L278H231-V241 HydrophobicContact CB-CG2 3.59Å; S237-V241 PolarHBondContact O-N 3.34Å; Q238-V241 PolarHBondContact O-N 3.01Å; S239-V241 VanDerWaalsContact C-N 3.35Å; S239-V241 PolarHBondContact O-N 3.15Å; V241-R243 PolarHBondContact O-N 2.69Å; V241-A244 PolarHBondContact O-N 3.26Å; V241-V245 HydrophobicContact CG1-CG2 4.08Å; V241-V245 WeakPolarHBondContact O-CB 3.41Å; V241-V245 VanDerWaalsContact O-CG2 3.27Å; V241-V245 WeakPolarHBondContact O-CG2 3.49Å; V241-V245 PolarHBondContact O-N 3.41Å; V241-Y274 HydrophobicContact CG1-CE1 4.27Å; V241-Y274 HydrophobicContact CG2-CE1 4.35Å; V241-W275 HydrophobicContact CB-CH2 4.26Å; V241-W275 HydrophobicContact CG1-CH2 4.04Å; V241-W275 HydrophobicContact CG1-CZ3 4.15Å; V241-W275 HydrophobicContact CG2-CH2 4.03Å; V241-W275 HydrophobicContact CG2-CZ2 4.36Å; V241-L278 HydrophobicContact CG1-CD2 4.41Å
242D97.4Very high96.5Very high90 Ų9053.3 Ų53.348%0.48129%0.292SS..Hα-helixtrans-59.4-38.9-177.8-68.1-12.4000111.3Q238 S239 K246Q238-D242 PolarHBondContact NE2-OD1 3.39Å; Q238-D242 WeakPolarHBondContact O-CB 3.46Å; Q238-D242 PolarHBondContact O-N 3.46Å; S239-D242 PolarHBondContact O-N 3.15Å; D242-K246 WeakPolarHBondContact O-CB 3.25Å; D242-K246 PolarHBondContact O-N 2.92Å
243R97.2Very high96.7Very high66 Ų6650.5 Ų50.525%0.24927%0.274CS..Hα-helixtrans-68.1-46.2176.8-69.2175.475.417012.7112.1E214 L217 N218 S239 L240 V241 G247E214-R243 PolarHBondContact O-NH1 2.78Å; E214-R243 IonicContact OE2-CZ 3.12Å; E214-R243 IonicContact OE2-NH1 3.33Å; E214-R243 PolarHBondContact OE2-NH1 2.96Å; L217-R243 HydrophobicContact CD1-CB 3.91Å; L217-R243 PolarHBondContact O-NH2 2.8Å; N218-R243 VanDerWaalsContact CA-NH2 3.34Å; N218-R243 PolarHBondContact OD1-NH1 3.48Å; N218-R243 PolarHBondContact OD1-NH2 3.3Å; S239-R243 WeakPolarHBondContact O-CB 3.23Å; S239-R243 WeakPolarHBondContact O-CG 3.28Å; S239-R243 PolarHBondContact O-N 3.43Å; L240-R243 PolarHBondContact O-N 2.99Å; V241-R243 PolarHBondContact O-N 2.69Å; R243-G247 PolarHBondContact O-N 2.57Å
244A97.5Very high97Very high0 Ų043.1 Ų43.10%024%0.239CC..Hα-helixtrans-60.7-45.7176.500000111.4L240 V241 G247 R248 I249 W275 H280L240-A244 WeakPolarHBondContact O-CB 3.49Å; L240-A244 PolarHBondContact O-N 3.08Å; V241-A244 PolarHBondContact O-N 3.26Å; A244-G247 PolarHBondContact O-N 2.78Å; A244-R248 WeakPolarHBondContact O-CA 3.37Å; A244-R248 PolarHBondContact O-N 3.27Å; A244-I249 PolarHBondContact O-N 3.14Å; A244-W275 HydrophobicContact CB-CH2 4.13Å; A244-W275 HydrophobicContact CB-CZ3 4.49Å; A244-H280 PolarHBondContact O-CE1 3.48Å
245V98.1Very high97.2Very high54 Ų5441.2 Ų41.233%0.32723%0.23SC..Hα-helixtrans-66.4-47178.8172.90000111.5V241 G247 R248 W275 L278V241-V245 HydrophobicContact CG1-CG2 4.08Å; V241-V245 WeakPolarHBondContact O-CB 3.41Å; V241-V245 VanDerWaalsContact O-CG2 3.27Å; V241-V245 WeakPolarHBondContact O-CG2 3.49Å; V241-V245 PolarHBondContact O-N 3.41Å; V245-G247 VanDerWaalsContact C-N 3.29Å; V245-G247 PolarHBondContact O-N 3.32Å; V245-R248 PolarHBondContact O-N 3.36Å; V245-W275 HydrophobicContact CG2-CZ3 4.09Å; V245-L278 HydrophobicContact CG2-CD2 3.71Å
246K97.4Very high97.4Very high187 Ų18738.6 Ų38.681%0.81320%0.203SC*.Hα-helixtrans-60.5-39.9178.6-179.4179.8178.1-178.40111.7D242 R248D242-K246 WeakPolarHBondContact O-CB 3.25Å; D242-K246 PolarHBondContact O-N 2.92Å; K246-R248 VanDerWaalsContact C-N 3.26Å
247G96.4Very high97.4Very high50 Ų5038.3 Ų38.352%0.51520%0.198SC..THydrogen-bonded Turntrans-78.2-8.8174.700000114.1R243 A244 V245 I249R243-G247 PolarHBondContact O-N 2.57Å; A244-G247 PolarHBondContact O-N 2.78Å; V245-G247 VanDerWaalsContact C-N 3.29Å; V245-G247 PolarHBondContact O-N 3.32Å; G247-I249 PolarHBondContact O-N 3.07Å
248R97.5Very high97.4Very high151 Ų15137.5 Ų37.557%0.5719%0.192SC*.THydrogen-bonded Turntrans46.240-167.2-64.5-158.169.8885.1112.8A244 V245 K246 P250A244-R248 WeakPolarHBondContact O-CA 3.37Å; A244-R248 PolarHBondContact O-N 3.27Å; V245-R248 PolarHBondContact O-N 3.36Å; K246-R248 VanDerWaalsContact C-N 3.26Å; R248-P250 WeakPolarHBondContact O-CD 3.3Å
249I98.5Very high97.3Very high7 Ų733.5 Ų33.54%0.03617%0.174CC..  trans-72.7111.4-175.3-52.2176.9000108.8L217 P220 P221 I224 A244 G247 H280L217-I249 HydrophobicContact CD2-CD1 3.96Å; P220-I249 HydrophobicContact CB-CD1 4.15Å; P221-I249 HydrophobicContact CG-CG2 4.36Å; I224-I249 HydrophobicContact CD1-CB 4.4Å; I224-I249 HydrophobicContact CD1-CG2 3.88Å; I224-I249 HydrophobicContact CG1-CG2 3.8Å; A244-I249 PolarHBondContact O-N 3.14Å; G247-I249 PolarHBondContact O-N 3.07Å; I249-H280 PolarHBondContact O-CE1 3.13Å; I249-H280 PolarHBondContact O-NE2 3.5Å
250P98.7Very high97Very high15 Ų1531.8 Ų31.810%0.09716%0.16CC..  trans-62.6147.2-179.2-20.533.7000112.7D222 R223 I224 R248 P281 C324D222-P250 VanDerWaalsContact O-CD 3.23Å; D222-P250 WeakPolarHBondContact O-CD 3.44Å; R223-P250 WeakPolarHBondContact CA-O 3.4Å; R223-P250 HydrophobicContact CG-CB 4.17Å; R223-P250 HydrophobicContact CG-CG 4.26Å; I224-P250 PolarHBondContact N-O 3.31Å; R248-P250 WeakPolarHBondContact O-CD 3.3Å; P250-P281 WeakPolarHBondContact CA-O 3.38Å; P250-P281 HydrophobicContact CB-CB 3.96Å; P250-P281 HydrophobicContact CG-CB 4.08Å; P250-C324 HydrophobicContact CB-CB 4.1Å; P250-C324 VanDerWaalsContact CB-SG 3.58Å; P250-C324 HydrophobicContact CG-CB 4.04Å; P250-C324 VanDerWaalsContact CG-SG 3.53Å
251L98.8Very high96.6Very high0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-103128.7175.3-57.9179.7000110.6I224 L230 I253 W275 P281 C282 V283I224-L251 HydrophobicContact CB-CD2 3.69Å; I224-L251 HydrophobicContact CD1-CD2 4.05Å; I224-L251 HydrophobicContact CG1-CD2 4.43Å; I224-L251 HydrophobicContact CG2-CD2 4.03Å; I224-L251 WeakPolarHBondContact O-CA 3.38Å; L230-L251 HydrophobicContact CD1-CD2 3.72Å; L251-I253 HydrophobicContact CB-CD1 3.68Å; L251-I253 HydrophobicContact CB-CG1 4.4Å; L251-I253 HydrophobicContact CD1-CD1 4.48Å; L251-W275 HydrophobicContact CD1-CB 4.19Å; L251-W275 HydrophobicContact CD1-CD2 3.31Å; L251-W275 HydrophobicContact CD1-CE3 3.96Å; L251-W275 HydrophobicContact CD1-CG 3.4Å; L251-W275 VanDerWaalsContact CD1-CG 3.4Å; L251-W275 HydrophobicContact CD1-CH2 4.41Å; L251-W275 HydrophobicContact CD1-CZ2 3.88Å; L251-W275 HydrophobicContact CD1-CZ3 4.46Å; L251-W275 VanDerWaalsContact CD1-NE1 3.32Å; L251-P281 PolarHBondContact N-O 3.13Å; L251-C282 CarbonylContact O-C 3.36Å; L251-C282 WeakPolarHBondContact O-CA 3.49Å; L251-V283 PolarHBondContact O-N 3.21Å
252E98.9Very high96.3Very high0 Ų037 Ų370%019%0.185CC..EExtended strand (participates in β ladder)trans-86.8109.1170.8-49.7170.916200107.8H17 R98 S200 R223 I224 H226H17-E252 HydrophobicContact CB-CB 3.93Å; H17-E252 HydrophobicContact CB-CG 4.36Å; H17-E252 WeakPolarHBondContact CB-OE2 3.44Å; H17-E252 IonicContact CE1-OE2 2.66Å; H17-E252 IonicContact CG-OE2 3.95Å; H17-E252 IonicContact ND1-OE2 3.11Å; H17-E252 PolarHBondContact ND1-OE2 3.4Å; R98-E252 IonicContact CZ-OE2 3.71Å; R98-E252 IonicContact NH1-OE2 2.76Å; R98-E252 PolarHBondContact NH1-OE2 3.37Å; R98-E252 VanDerWaalsContact NH1-OE2 3.11Å; R98-E252 VanDerWaalsContact NH2-CD 3.27Å; R98-E252 IonicContact NH2-OE1 3.82Å; R98-E252 PolarHBondContact NH2-OE1 3.39Å; R98-E252 IonicContact NH2-OE2 2.76Å; R98-E252 PolarHBondContact NH2-OE2 3.06Å; S200-E252 PolarHBondContact OG-OE1 3.48Å; S200-E252 PolarHBondContact OG-OE2 3.5Å; S200-E252 VanDerWaalsContact OG-OE2 3.11Å; R223-E252 HydrophobicContact CB-CG 4.35Å; R223-E252 IonicContact CZ-OE1 3.67Å; R223-E252 VanDerWaalsContact CZ-OE1 3.29Å; R223-E252 IonicContact NE-OE1 3.71Å; R223-E252 PolarHBondContact NE-OE1 2.98Å; R223-E252 IonicContact NH2-OE1 3.09Å; R223-E252 PolarHBondContact NH2-OE1 3.11Å; I224-E252 PolarHBondContact O-N 3.14Å; H226-E252 WeakPolarHBondContact CA-O 3.21Å; H226-E252 PolarHBondContact N-O 2.86Å
253I98.7Very high96Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-101.8115.6-168-54.8-63.2000109.8L251 L255 H271 L272 C282 V283 I284 C285L251-I253 HydrophobicContact CB-CD1 3.68Å; L251-I253 HydrophobicContact CB-CG1 4.4Å; L251-I253 HydrophobicContact CD1-CD1 4.48Å; I253-L255 HydrophobicContact CG2-CD1 3.8Å; I253-L255 HydrophobicContact CG2-CG 4.28Å; I253-H271 VanDerWaalsContact CD1-CE1 3.49Å; I253-H271 WeakPolarHBondContact CD1-CE1 3.38Å; I253-L272 HydrophobicContact CG1-CD1 4.15Å; I253-L272 HydrophobicContact CG2-CB 3.98Å; I253-L272 HydrophobicContact CG2-CD1 4.24Å; I253-L272 HydrophobicContact CG2-CD2 4.23Å; I253-L272 HydrophobicContact CG2-CG 4.36Å; I253-C282 HydrophobicContact CD1-CB 4.45Å; I253-C282 HydrophobicContact CG1-CB 3.85Å; I253-V283 WeakPolarHBondContact CB-O 3.44Å; I253-V283 PolarHBondContact N-O 3.14Å; I253-I284 HydrophobicContact CB-CD1 4.29Å; I253-I284 HydrophobicContact CG2-CD1 4.31Å; I253-C285 PolarHBondContact O-N 3.5Å
254C98.4Very high95.8Very high0 Ų030.5 Ų30.50%016%0.157CC..  trans-115.484.4-174.2-47.60000110.8N258 D287C254-N258 WeakPolarHBondContact O-CB 3.38Å; C254-N258 PolarHBondContact O-N 3.25Å; C254-N258 PolarHBondContact O-OD1 2.96Å; C254-D287 HydrophobicContact CB-CB 3.79Å
255L98.1Very high95.5Very high0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-65-53.6-167.4-71.192.9000113.2I253 S257 N258 V259 Y267 H270 L272 I284 E299 A303 F307I253-L255 HydrophobicContact CG2-CD1 3.8Å; I253-L255 HydrophobicContact CG2-CG 4.28Å; L255-S257 VanDerWaalsContact C-N 3.33Å; L255-N258 PolarHBondContact O-N 3.24Å; L255-V259 PolarHBondContact O-N 3.38Å; L255-V259 VanDerWaalsContact O-N 3.08Å; L255-Y267 HydrophobicContact CB-CD1 4.15Å; L255-Y267 HydrophobicContact CB-CE1 4.24Å; L255-Y267 HydrophobicContact CD2-CD1 4.48Å; L255-H270 WeakPolarHBondContact CA-NE2 3.29Å; L255-L272 HydrophobicContact CD1-CD2 4.34Å; L255-L272 HydrophobicContact CD2-CD2 4.33Å; L255-I284 HydrophobicContact CD1-CD1 4.02Å; L255-I284 HydrophobicContact CD1-CG2 4.01Å; L255-E299 PolarHBondContact N-OE2 2.99Å; L255-A303 HydrophobicContact CD1-CB 4.4Å; L255-A303 HydrophobicContact CD2-CB 4.17Å; L255-F307 HydrophobicContact CD2-CE2 4.15Å
256T96.6Very high95.4Very high2 Ų232.9 Ų32.91%0.01217%0.174CC..Hα-helixtrans-64.5-41.2-179.2-66.60000110.9V259 K260 F292 T294 E299 L302T256-V259 PolarHBondContact O-N 2.98Å; T256-K260 HydrophobicContact CG2-CD 3.83Å; T256-K260 HydrophobicContact CG2-CG 4.11Å; T256-K260 VanDerWaalsContact O-CB 3.29Å; T256-K260 WeakPolarHBondContact O-CB 3.11Å; T256-K260 WeakPolarHBondContact O-CG 3.41Å; T256-K260 PolarHBondContact O-N 3.39Å; T256-F292 HydrophobicContact CG2-CB 4Å; T256-T294 HydrophobicContact CG2-CG2 4.47Å; T256-E299 WeakPolarHBondContact CB-OE1 3.47Å; T256-E299 PolarHBondContact N-OE2 2.66Å; T256-E299 PolarHBondContact OG1-OE1 3.28Å; T256-E299 PolarHBondContact OG1-OE2 3.11Å; T256-L302 VanDerWaalsContact OG1-CD1 3.26Å; T256-L302 WeakPolarHBondContact OG1-CD1 3.13Å
257S95Very high95.4Very high10 Ų1027 Ų277%0.0715%0.147CC..Hα-helixtrans-56-52.4174.1168.80000111.1L255 V259 K260 G261 D287 F292L255-S257 VanDerWaalsContact C-N 3.33Å; S257-V259 VanDerWaalsContact C-N 3.35Å; S257-V259 PolarHBondContact O-N 3.49Å; S257-K260 PolarHBondContact O-N 3.11Å; S257-G261 WeakPolarHBondContact O-CA 3.46Å; S257-G261 PolarHBondContact O-N 3.34Å; S257-D287 WeakPolarHBondContact CB-OD2 3.42Å; S257-D287 PolarHBondContact OG-OD2 3.47Å; S257-F292 VanDerWaalsContact CB-CE2 3.41Å; S257-F292 WeakPolarHBondContact OG-CE2 3.38Å
258N95.3Very high95.5Very high3 Ų328.3 Ų28.32%0.01615%0.148CC..Hα-helixtrans-62.8-38.1-177.6-71.9174.4000113.2H226 T228 C254 L255 Q262 T263 V264 H270 H271H226-N258 PolarHBondContact ND1-ND2 2.94Å; T228-N258 PolarHBondContact OG1-OD1 2.85Å; C254-N258 WeakPolarHBondContact O-CB 3.38Å; C254-N258 PolarHBondContact O-N 3.25Å; C254-N258 PolarHBondContact O-OD1 2.96Å; L255-N258 PolarHBondContact O-N 3.24Å; N258-Q262 PolarHBondContact O-N 3.24Å; N258-T263 WeakPolarHBondContact CA-OG1 3.35Å; N258-T263 VanDerWaalsContact CB-OG1 3.25Å; N258-T263 WeakPolarHBondContact CB-OG1 3.47Å; N258-T263 PolarHBondContact ND2-OG1 3.24Å; N258-T263 PolarHBondContact O-N 3.38Å; N258-T263 PolarHBondContact O-OG1 3.4Å; N258-V264 HydrophobicContact CB-CG1 4.5Å; N258-V264 HydrophobicContact CB-CG2 3.96Å; N258-V264 PolarHBondContact O-N 2.97Å; N258-H270 PolarHBondContact OD1-CE1 3.37Å; N258-H270 PolarHBondContact OD1-NE2 3.19Å; N258-H270 VanDerWaalsContact OD1-NE2 3.1Å; N258-H271 PolarHBondContact OD1-NE2 2.96Å; N258-H271 VanDerWaalsContact OD1-NE2 3.13Å
259V94.3Very high95.4Very high10 Ų1026.7 Ų26.76%0.06115%0.148CC..Hα-helixtrans-72.8-43.2176.1172.30000112.1L255 T256 S257 Q262 V264 Y267L255-V259 PolarHBondContact O-N 3.38Å; L255-V259 VanDerWaalsContact O-N 3.08Å; T256-V259 PolarHBondContact O-N 2.98Å; S257-V259 VanDerWaalsContact C-N 3.35Å; S257-V259 PolarHBondContact O-N 3.49Å; V259-Q262 PolarHBondContact O-N 3.07Å; V259-V264 HydrophobicContact CG2-CG2 3.66Å; V259-Y267 HydrophobicContact CB-CD1 4.35Å; V259-Y267 HydrophobicContact CB-CE1 3.92Å; V259-Y267 HydrophobicContact CG1-CE1 4.43Å; V259-Y267 HydrophobicContact CG2-CD1 3.49Å; V259-Y267 VanDerWaalsContact CG2-CD1 3.49Å; V259-Y267 HydrophobicContact CG2-CE1 3.56Å; V259-Y267 HydrophobicContact CG2-CG 4.03Å
260K90.3Very high95.4Very high18 Ų1826.6 Ų26.68%0.07815%0.147CC..Hα-helixtrans-71.4-38.1-178.8-77-168.6169.3-172.20112.5I48 R54 T256 S257 Q262 F292I48-K260 HydrophobicContact CG2-CD 4.22Å; I48-K260 PolarHBondContact O-NZ 2.73Å; R54-K260 PolarHBondContact N-O 3.32Å; T256-K260 HydrophobicContact CG2-CD 3.83Å; T256-K260 HydrophobicContact CG2-CG 4.11Å; T256-K260 VanDerWaalsContact O-CB 3.29Å; T256-K260 WeakPolarHBondContact O-CB 3.11Å; T256-K260 WeakPolarHBondContact O-CG 3.41Å; T256-K260 PolarHBondContact O-N 3.39Å; S257-K260 PolarHBondContact O-N 3.11Å; K260-Q262 PolarHBondContact O-N 3.34Å; K260-F292 HydrophobicContact CB-CD1 3.87Å; K260-F292 HydrophobicContact CB-CE1 4.08Å; K260-F292 HydrophobicContact CD-CB 4.18Å; K260-F292 HydrophobicContact CD-CD1 3.77Å; K260-F292 HydrophobicContact CD-CG 4.39Å; K260-F292 HydrophobicContact CG-CD1 4.43Å; K260-F292 PolarHBondContact NZ-O 3.04Å
261G88.4Confident95.3Very high7 Ų726 Ų267%0.07214%0.143CC..THydrogen-bonded Turntrans-791.5173.100000114S257 T263S257-G261 WeakPolarHBondContact O-CA 3.46Å; S257-G261 PolarHBondContact O-N 3.34Å; G261-T263 PolarHBondContact O-N 2.87Å
262Q90.1Very high95.3Very high106 Ų10626.1 Ų26.150%0.49514%0.143SC..THydrogen-bonded Turntrans61.223.8173.4-55.6177.170.300114.6R54 N258 V259 K260 V264R54-Q262 VanDerWaalsContact C-NE2 3.33Å; R54-Q262 PolarHBondContact O-NE2 3.38Å; N258-Q262 PolarHBondContact O-N 3.24Å; V259-Q262 PolarHBondContact O-N 3.07Å; K260-Q262 PolarHBondContact O-N 3.34Å; Q262-V264 VanDerWaalsContact C-N 3.27Å
263T90.9Very high95.2Very high19 Ų1932.4 Ų32.412%0.11717%0.167CC..SBendtrans-76-23.117163.40000111.1E205 F229 N258 G261E205-T263 WeakPolarHBondContact O-CG2 3.15Å; F229-T263 WeakPolarHBondContact CZ-O 3.48Å; N258-T263 WeakPolarHBondContact CA-OG1 3.35Å; N258-T263 VanDerWaalsContact CB-OG1 3.25Å; N258-T263 WeakPolarHBondContact CB-OG1 3.47Å; N258-T263 PolarHBondContact ND2-OG1 3.24Å; N258-T263 PolarHBondContact O-N 3.38Å; N258-T263 PolarHBondContact O-OG1 3.4Å; G261-T263 PolarHBondContact O-N 2.87Å
264V93.3Very high95.1Very high2 Ų235 Ų351%0.01218%0.177CC..SBendtrans-131.4147.3164.9-53.70000110.5T228 M234 N258 V259 Q262T228-V264 HydrophobicContact CG2-CG1 3.65Å; M234-V264 HydrophobicContact CE-CG1 3.68Å; N258-V264 HydrophobicContact CB-CG1 4.5Å; N258-V264 HydrophobicContact CB-CG2 3.96Å; N258-V264 PolarHBondContact O-N 2.97Å; V259-V264 HydrophobicContact CG2-CG2 3.66Å; Q262-V264 VanDerWaalsContact C-N 3.27Å
265P92.8Very high95.1Very high71 Ų7135 Ų3546%0.46118%0.177SC..SBendtrans-78.5-22.3-173.429.7-36.2000114.2R53 Q269R53-P265 PolarHBondContact NH2-O 2.99Å; P265-Q269 HydrophobicContact CG-CB 4.11Å; P265-Q269 HydrophobicContact CG-CG 4.49Å
266S96Very high95Very high33 Ų3339.1 Ų39.123%0.23119%0.193CC..SBendtrans-161.3161.6178.473.90000111.2S268 Q269 H270S266-S268 VanDerWaalsContact C-N 3.25Å; S266-S268 PolarHBondContact O-N 2.89Å; S266-S268 PolarHBondContact OG-N 2.99Å; S266-S268 PolarHBondContact OG-OG 3.4Å; S266-Q269 PolarHBondContact O-N 3.05Å; S266-Q269 VanDerWaalsContact O-N 3.13Å; S266-Q269 PolarHBondContact OG-N 3.5Å; S266-H270 PolarHBondContact O-N 3.38Å
267Y97.4Very high95Very high62 Ų6245.4 Ų45.424%0.24322%0.223CC..G310 helixtrans-56.8-39174.1-57.8-65.2000112.4L255 V259 Q269 H270 L302 T306 F307L255-Y267 HydrophobicContact CB-CD1 4.15Å; L255-Y267 HydrophobicContact CB-CE1 4.24Å; L255-Y267 HydrophobicContact CD2-CD1 4.48Å; V259-Y267 HydrophobicContact CB-CD1 4.35Å; V259-Y267 HydrophobicContact CB-CE1 3.92Å; V259-Y267 HydrophobicContact CG1-CE1 4.43Å; V259-Y267 HydrophobicContact CG2-CD1 3.49Å; V259-Y267 VanDerWaalsContact CG2-CD1 3.49Å; V259-Y267 HydrophobicContact CG2-CE1 3.56Å; V259-Y267 HydrophobicContact CG2-CG 4.03Å; Y267-Q269 PolarHBondContact O-N 2.8Å; Y267-Q269 VanDerWaalsContact O-N 3.16Å; Y267-H270 WeakPolarHBondContact O-CB 3.42Å; Y267-H270 PolarHBondContact O-N 3.32Å; Y267-L302 HydrophobicContact CD2-CD2 4.29Å; Y267-L302 HydrophobicContact CE1-CD1 4.05Å; Y267-L302 HydrophobicContact CE1-CD2 4.49Å; Y267-L302 HydrophobicContact CE2-CD2 3.95Å; Y267-T306 VanDerWaalsContact C-CG2 3.41Å; Y267-T306 WeakPolarHBondContact CB-OG1 3.47Å; Y267-T306 WeakPolarHBondContact O-CG2 3.06Å; Y267-F307 VanDerWaalsContact O-CZ 3.3Å; Y267-F307 WeakPolarHBondContact O-CZ 3.34Å
268S96.9Very high95Very high78 Ų7849.1 Ų49.155%0.54524%0.241SC..G310 helixtrans-63.9-21.9-179.371.10000114.1S266S266-S268 VanDerWaalsContact C-N 3.25Å; S266-S268 PolarHBondContact O-N 2.89Å; S266-S268 PolarHBondContact OG-N 2.99Å; S266-S268 PolarHBondContact OG-OG 3.4Å
269Q96.3Very high95.1Very high118 Ų11851.1 Ų51.155%0.55126%0.263SS*.G310 helixtrans-104.417.3177.9-62.6-172.64.300112P265 S266 Y267P265-Q269 HydrophobicContact CG-CB 4.11Å; P265-Q269 HydrophobicContact CG-CG 4.49Å; S266-Q269 PolarHBondContact O-N 3.05Å; S266-Q269 VanDerWaalsContact O-N 3.13Å; S266-Q269 PolarHBondContact OG-N 3.5Å; Y267-Q269 PolarHBondContact O-N 2.8Å; Y267-Q269 VanDerWaalsContact O-N 3.16Å
270H98Very high95.3Very high4 Ų451.3 Ų51.32%0.01926%0.263CS..  trans-72.4141.5177.4-157.7-73.3000111.4L255 N258 S266 Y267 L272 R273 F307L255-H270 WeakPolarHBondContact CA-NE2 3.29Å; N258-H270 PolarHBondContact OD1-CE1 3.37Å; N258-H270 PolarHBondContact OD1-NE2 3.19Å; N258-H270 VanDerWaalsContact OD1-NE2 3.1Å; S266-H270 PolarHBondContact O-N 3.38Å; Y267-H270 WeakPolarHBondContact O-CB 3.42Å; Y267-H270 PolarHBondContact O-N 3.32Å; H270-L272 PolarHBondContact ND1-N 3.46Å; H270-L272 VanDerWaalsContact ND1-N 3.18Å; H270-L272 PolarHBondContact O-N 3.38Å; H270-R273 PolarHBondContact O-N 3.19Å; H270-F307 HydrophobicContact CB-CZ 3.97Å
271H97.3Very high95.7Very high3 Ų351.8 Ų51.81%0.01427%0.268CS..THydrogen-bonded Turntrans-60.5-12176.763.884.4000114.5H226 T228 M234 I253 N258 R273 Y274 W275H226-H271 PolarHBondContact O-CE1 3.37Å; H226-H271 PolarHBondContact O-NE2 2.97Å; T228-H271 VanDerWaalsContact CA-CD2 3.43Å; T228-H271 WeakPolarHBondContact CA-CD2 3.45Å; T228-H271 PolarHBondContact OG1-CD2 3Å; T228-H271 PolarHBondContact OG1-NE2 3.33Å; M234-H271 HydrophobicContact CG-CB 4.33Å; I253-H271 VanDerWaalsContact CD1-CE1 3.49Å; I253-H271 WeakPolarHBondContact CD1-CE1 3.38Å; N258-H271 PolarHBondContact OD1-NE2 2.96Å; N258-H271 VanDerWaalsContact OD1-NE2 3.13Å; H271-R273 PolarHBondContact O-N 3.09Å; H271-Y274 WeakPolarHBondContact O-CB 3.34Å; H271-Y274 PolarHBondContact O-N 3.14Å; H271-Y274 VanDerWaalsContact O-N 3.14Å; H271-W275 AromaticContact ND1-CD1 3.75Å; H271-W275 PolarHBondContact O-N 2.99Å
272L97.8Very high96.1Very high2 Ų252 Ų521%0.0127%0.268CS..Hα-helixtrans-58-37.7176.8171.859000110.4I253 L255 H270 Y274 W275 Y276 C282 I284 A303 F307I253-L272 HydrophobicContact CG1-CD1 4.15Å; I253-L272 HydrophobicContact CG2-CB 3.98Å; I253-L272 HydrophobicContact CG2-CD1 4.24Å; I253-L272 HydrophobicContact CG2-CD2 4.23Å; I253-L272 HydrophobicContact CG2-CG 4.36Å; L255-L272 HydrophobicContact CD1-CD2 4.34Å; L255-L272 HydrophobicContact CD2-CD2 4.33Å; H270-L272 PolarHBondContact ND1-N 3.46Å; H270-L272 VanDerWaalsContact ND1-N 3.18Å; H270-L272 PolarHBondContact O-N 3.38Å; L272-Y274 VanDerWaalsContact C-N 3.29Å; L272-Y274 PolarHBondContact O-N 3.42Å; L272-W275 PolarHBondContact O-N 3.18Å; L272-Y276 WeakPolarHBondContact O-CB 3.4Å; L272-Y276 PolarHBondContact O-N 3.02Å; L272-C282 HydrophobicContact CD1-CB 4.07Å; L272-I284 HydrophobicContact CD1-CD1 4.35Å; L272-I284 HydrophobicContact CD2-CD1 3.73Å; L272-A303 HydrophobicContact CD2-CB 4.06Å; L272-F307 HydrophobicContact CB-CE2 4.17Å; L272-F307 HydrophobicContact CB-CZ 4.41Å; L272-F307 HydrophobicContact CD2-CD2 3.94Å; L272-F307 HydrophobicContact CD2-CE2 3.73Å; L272-F307 HydrophobicContact CG-CD2 4.43Å; L272-F307 HydrophobicContact CG-CE2 4.16Å
273R96.6Very high96.5Very high133 Ų13347 Ų4750%0.50225%0.245SC..Hα-helixtrans-55-46.8179-175.1179.8177.5107.6-0.3111.6H270 H271 Q277 F307H270-R273 PolarHBondContact O-N 3.19Å; H271-R273 PolarHBondContact O-N 3.09Å; R273-Q277 WeakPolarHBondContact O-CB 3.4Å; R273-Q277 WeakPolarHBondContact O-CG 3.43Å; R273-Q277 PolarHBondContact O-N 3.29Å; R273-F307 HydrophobicContact CB-CD1 4.06Å; R273-F307 HydrophobicContact CB-CE1 3.71Å; R273-F307 HydrophobicContact CB-CZ 4.48Å; R273-F307 HydrophobicContact CG-CD1 4.37Å; R273-F307 HydrophobicContact CG-CE1 4.39Å
274Y97.6Very high96.9Very high53 Ų5346.1 Ų46.121%0.20824%0.239CC..Hα-helixtrans-61.8-54-178.3177.6-91.3000110.8H231 V241 H271 L272 Y276 Q277 L278H231-Y274 HydrophobicContact CB-CD1 3.98Å; H231-Y274 HydrophobicContact CB-CE1 3.73Å; H231-Y274 AromaticContact CE1-CD2 4Å; H231-Y274 AromaticContact CE1-CG 3.81Å; H231-Y274 AromaticContact CG-CD1 3.85Å; H231-Y274 AromaticContact CG-CG 3.99Å; H231-Y274 AromaticContact ND1-CD2 3.75Å; H231-Y274 AromaticContact ND1-CG 3.76Å; V241-Y274 HydrophobicContact CG1-CE1 4.27Å; V241-Y274 HydrophobicContact CG2-CE1 4.35Å; H271-Y274 WeakPolarHBondContact O-CB 3.34Å; H271-Y274 PolarHBondContact O-N 3.14Å; H271-Y274 VanDerWaalsContact O-N 3.14Å; L272-Y274 VanDerWaalsContact C-N 3.29Å; L272-Y274 PolarHBondContact O-N 3.42Å; Y274-Y276 PolarHBondContact O-N 3.14Å; Y274-Q277 PolarHBondContact O-N 3.14Å; Y274-L278 HydrophobicContact CE1-CD2 4.26Å; Y274-L278 WeakPolarHBondContact O-CB 3.46Å; Y274-L278 PolarHBondContact O-N 3.46Å
275W97.9Very high97.2Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-68.1-38.2-176.2-65113.1000113.4L230 H231 V241 A244 V245 L251 H271 L272 L278 G279 H280 C282L230-W275 HydrophobicContact CB-CZ2 3.85Å; L230-W275 HydrophobicContact CD1-CZ2 3.99Å; H231-W275 HydrophobicContact CB-CZ2 4.42Å; V241-W275 HydrophobicContact CB-CH2 4.26Å; V241-W275 HydrophobicContact CG1-CH2 4.04Å; V241-W275 HydrophobicContact CG1-CZ3 4.15Å; V241-W275 HydrophobicContact CG2-CH2 4.03Å; V241-W275 HydrophobicContact CG2-CZ2 4.36Å; A244-W275 HydrophobicContact CB-CH2 4.13Å; A244-W275 HydrophobicContact CB-CZ3 4.49Å; V245-W275 HydrophobicContact CG2-CZ3 4.09Å; L251-W275 HydrophobicContact CD1-CB 4.19Å; L251-W275 HydrophobicContact CD1-CD2 3.31Å; L251-W275 HydrophobicContact CD1-CE3 3.96Å; L251-W275 HydrophobicContact CD1-CG 3.4Å; L251-W275 VanDerWaalsContact CD1-CG 3.4Å; L251-W275 HydrophobicContact CD1-CH2 4.41Å; L251-W275 HydrophobicContact CD1-CZ2 3.88Å; L251-W275 HydrophobicContact CD1-CZ3 4.46Å; L251-W275 VanDerWaalsContact CD1-NE1 3.32Å; H271-W275 AromaticContact ND1-CD1 3.75Å; H271-W275 PolarHBondContact O-N 2.99Å; L272-W275 PolarHBondContact O-N 3.18Å; W275-L278 HydrophobicContact CE3-CD2 4.16Å; W275-L278 HydrophobicContact CZ3-CD2 4.23Å; W275-L278 PolarHBondContact O-N 3.33Å; W275-G279 PolarHBondContact O-N 2.82Å; W275-H280 HydrophobicContact CB-CB 4.42Å; W275-H280 HydrophobicContact CE3-CB 3.75Å; W275-H280 AromaticContact CE3-CD2 3.51Å; W275-H280 AromaticContact CE3-CG 3.64Å; W275-H280 HydrophobicContact CZ3-CB 4.45Å; W275-H280 AromaticContact CZ3-CD2 3.85Å; W275-H280 AromaticContact CZ3-CG 3.98Å; W275-H280 PolarHBondContact O-N 2.86Å; W275-C282 WeakPolarHBondContact CB-SG 3.27Å
276Y96.1Very high97.5Very high88 Ų8842.7 Ų42.735%0.34522%0.217SC..Hα-helixtrans-63.8-45175.7-176.6-100.8000111.7L272 Y274 L278 G279 L309 L317L272-Y276 WeakPolarHBondContact O-CB 3.4Å; L272-Y276 PolarHBondContact O-N 3.02Å; Y274-Y276 PolarHBondContact O-N 3.14Å; Y276-L278 VanDerWaalsContact C-N 3.27Å; Y276-L278 PolarHBondContact O-N 3.25Å; Y276-G279 PolarHBondContact O-N 3.3Å; Y276-L309 HydrophobicContact CD1-CD2 4.36Å; Y276-L309 HydrophobicContact CE1-CD2 3.66Å; Y276-L317 HydrophobicContact CD2-CD1 4.45Å; Y276-L317 HydrophobicContact CD2-CD2 3.93Å; Y276-L317 HydrophobicContact CE2-CD1 4.01Å; Y276-L317 HydrophobicContact CE2-CD2 3.78Å; Y276-L317 HydrophobicContact CE2-CG 3.98Å
277Q95.8Very high97.6Very high134 Ų13441.4 Ų41.463%0.62621%0.208SC*.Hα-helixtrans-64.6-31.8176.7-74.7178.7-18.400112.6R273 Y274 G279R273-Q277 WeakPolarHBondContact O-CB 3.4Å; R273-Q277 WeakPolarHBondContact O-CG 3.43Å; R273-Q277 PolarHBondContact O-N 3.29Å; Y274-Q277 PolarHBondContact O-N 3.14Å; Q277-G279 PolarHBondContact O-N 2.86Å
278L96.8Very high97.5Very high88 Ų8839 Ų3946%0.46120%0.198SC..THydrogen-bonded Turntrans-72.3-11.4173.9-168.758.8000113.1V241 V245 Y274 W275 Y276 H280V241-L278 HydrophobicContact CG1-CD2 4.41Å; V245-L278 HydrophobicContact CG2-CD2 3.71Å; Y274-L278 HydrophobicContact CE1-CD2 4.26Å; Y274-L278 WeakPolarHBondContact O-CB 3.46Å; Y274-L278 PolarHBondContact O-N 3.46Å; W275-L278 HydrophobicContact CE3-CD2 4.16Å; W275-L278 HydrophobicContact CZ3-CD2 4.23Å; W275-L278 PolarHBondContact O-N 3.33Å; Y276-L278 VanDerWaalsContact C-N 3.27Å; Y276-L278 PolarHBondContact O-N 3.25Å; L278-H280 PolarHBondContact O-N 3.04Å
279G96.6Very high97.4Very high45 Ų4536.2 Ų36.246%0.46418%0.177SC..THydrogen-bonded Turntrans67.924.1-173.400000113.1W275 Y276 Q277W275-G279 PolarHBondContact O-N 2.82Å; Y276-G279 PolarHBondContact O-N 3.3Å; Q277-G279 PolarHBondContact O-N 2.86Å
280H98.3Very high97.2Very high14 Ų1431 Ų317%0.06515%0.154CC..  trans-77.2147.1176.5-16865.4000110.4A244 I249 W275 L278 C282A244-H280 PolarHBondContact O-CE1 3.48Å; I249-H280 PolarHBondContact O-CE1 3.13Å; I249-H280 PolarHBondContact O-NE2 3.5Å; W275-H280 HydrophobicContact CB-CB 4.42Å; W275-H280 HydrophobicContact CE3-CB 3.75Å; W275-H280 AromaticContact CE3-CD2 3.51Å; W275-H280 AromaticContact CE3-CG 3.64Å; W275-H280 HydrophobicContact CZ3-CB 4.45Å; W275-H280 AromaticContact CZ3-CD2 3.85Å; W275-H280 AromaticContact CZ3-CG 3.98Å; W275-H280 PolarHBondContact O-N 2.86Å; L278-H280 PolarHBondContact O-N 3.04Å; H280-C282 PolarHBondContact O-N 3.48Å
281P98.1Very high96.8Very high28 Ų2830.8 Ų30.818%0.18215%0.154CC..  trans-65.1121.5179-18.732.7000111.4P250 L251P250-P281 WeakPolarHBondContact CA-O 3.38Å; P250-P281 HydrophobicContact CB-CB 3.96Å; P250-P281 HydrophobicContact CG-CB 4.08Å; L251-P281 PolarHBondContact N-O 3.13Å
282C98.2Very high96.5Very high11 Ų1131 Ų317%0.07415%0.154CC..EExtended strand (participates in β ladder)trans-130.1140.5175.6-65.20000109.2L251 I253 L272 W275 H280L251-C282 CarbonylContact O-C 3.36Å; L251-C282 WeakPolarHBondContact O-CA 3.49Å; I253-C282 HydrophobicContact CD1-CB 4.45Å; I253-C282 HydrophobicContact CG1-CB 3.85Å; L272-C282 HydrophobicContact CD1-CB 4.07Å; W275-C282 WeakPolarHBondContact CB-SG 3.27Å; H280-C282 PolarHBondContact O-N 3.48Å
283V98.8Very high96.2Very high1 Ų132.8 Ų32.81%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-121.6127.8175-176.50000107.9L16 L251 I253 A321 C324L16-V283 HydrophobicContact CB-CG1 4.43Å; L16-V283 HydrophobicContact CD1-CB 4.33Å; L16-V283 HydrophobicContact CD1-CG1 3.99Å; L16-V283 HydrophobicContact CD1-CG2 3.97Å; L16-V283 HydrophobicContact CG-CG1 4.12Å; L251-V283 PolarHBondContact O-N 3.21Å; I253-V283 WeakPolarHBondContact CB-O 3.44Å; I253-V283 PolarHBondContact N-O 3.14Å; V283-A321 HydrophobicContact CB-CB 4.38Å; V283-A321 HydrophobicContact CG1-CB 3.69Å; V283-A321 HydrophobicContact CG2-CB 3.93Å; V283-C324 HydrophobicContact CG2-CB 3.81Å
284I98.8Very high96.1Very high1 Ų126.9 Ų26.91%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-77.9129.4175.4-52-57.1000107.9I253 L255 L272 L296 E299 Y300 A303I253-I284 HydrophobicContact CB-CD1 4.29Å; I253-I284 HydrophobicContact CG2-CD1 4.31Å; L255-I284 HydrophobicContact CD1-CD1 4.02Å; L255-I284 HydrophobicContact CD1-CG2 4.01Å; L272-I284 HydrophobicContact CD1-CD1 4.35Å; L272-I284 HydrophobicContact CD2-CD1 3.73Å; I284-L296 HydrophobicContact CG2-CD1 4.47Å; I284-L296 WeakPolarHBondContact O-CD1 3.45Å; I284-E299 HydrophobicContact CG2-CB 3.53Å; I284-Y300 HydrophobicContact CB-CD2 4.27Å; I284-Y300 HydrophobicContact CB-CE1 4.4Å; I284-Y300 HydrophobicContact CB-CE2 3.91Å; I284-Y300 HydrophobicContact CG1-CD1 4.44Å; I284-Y300 HydrophobicContact CG1-CE1 4.2Å; I284-Y300 HydrophobicContact CG2-CD2 4.21Å; I284-Y300 HydrophobicContact CG2-CE2 4.29Å; I284-A303 HydrophobicContact CD1-CB 4.22Å
285C98.9Very high96.1Very high0 Ų027 Ų270%015%0.15CC..  trans-136.8159.4-175.5-57.30000111.6E15 H17 I253E15-C285 WeakPolarHBondContact OE1-CA 3.4Å; E15-C285 VanDerWaalsContact OE1-CB 3.23Å; E15-C285 WeakPolarHBondContact OE1-CB 3.32Å; H17-C285 HydrophobicContact CB-CB 3.6Å; I253-C285 PolarHBondContact O-N 3.5Å
286T98.7Very high96.1Very high0 Ų027 Ų270%015%0.15CC..  trans-87.5-25.5-178.952.50000115.1E15 F87 D288 K289 T294 L296 E299E15-T286 WeakPolarHBondContact OE2-CB 3.42Å; E15-T286 WeakPolarHBondContact OE2-CG2 3.47Å; E15-T286 PolarHBondContact OE2-N 3.42Å; E15-T286 PolarHBondContact OE2-OG1 2.9Å; F87-T286 HydrophobicContact CE1-CG2 4.28Å; T286-D288 PolarHBondContact O-N 3.11Å; T286-K289 HydrophobicContact CG2-CB 4.16Å; T286-T294 HydrophobicContact CG2-CG2 4.46Å; T286-L296 HydrophobicContact CG2-CB 3.84Å; T286-L296 HydrophobicContact CG2-CD1 3.98Å; T286-E299 HydrophobicContact CG2-CG 4.19Å
287D98.1Very high96.2Very high7 Ų723 Ų234%0.03714%0.135CC..BIsolated β-bridgetrans63.4-88-168.8-16921.3000111.8H17 A18 H19 H226 C254 S257 F292H17-D287 IonicContact CD2-OD1 2.65Å; H17-D287 PolarHBondContact CD2-OD1 3.35Å; H17-D287 IonicContact NE2-OD1 3.62Å; H17-D287 PolarHBondContact NE2-OD1 3.44Å; H17-D287 WeakPolarHBondContact O-CA 3.42Å; H17-D287 PolarHBondContact O-N 3.17Å; A18-D287 VanDerWaalsContact CA-O 3.32Å; A18-D287 WeakPolarHBondContact CA-O 3.35Å; H19-D287 IonicContact CD2-OD1 3.97Å; H19-D287 PolarHBondContact CD2-OD1 3.45Å; H19-D287 PolarHBondContact N-O 3.13Å; H19-D287 IonicContact NE2-OD1 3.29Å; H19-D287 PolarHBondContact NE2-OD1 2.98Å; H19-D287 VanDerWaalsContact NE2-OD1 3.14Å; H226-D287 IonicContact CE1-OD2 2.65Å; H226-D287 PolarHBondContact CE1-OD2 3.44Å; H226-D287 VanDerWaalsContact CE1-OD2 3.31Å; H226-D287 IonicContact NE2-OD2 3.49Å; C254-D287 HydrophobicContact CB-CB 3.79Å; S257-D287 WeakPolarHBondContact CB-OD2 3.42Å; S257-D287 PolarHBondContact OG-OD2 3.47Å; D287-F292 HydrophobicContact CB-CE2 4.39Å
288D96.1Very high96.3Very high10 Ų1019.3 Ų19.35%0.05312%0.117CC..SBendtrans-123.178.5179.4-57-59.9000110.3H19 G22 F63 T286 G290 V291 F292H19-D288 WeakPolarHBondContact CB-OD1 3.39Å; H19-D288 IonicContact CD2-OD1 3.91Å; H19-D288 PolarHBondContact CD2-OD1 2.97Å; H19-D288 IonicContact CG-OD1 3.58Å; G22-D288 VanDerWaalsContact CA-OD1 3.32Å; G22-D288 WeakPolarHBondContact CA-OD1 3.49Å; G22-D288 CarbonylContact O-C 3.55Å; G22-D288 VanDerWaalsContact O-C 3.27Å; G22-D288 WeakPolarHBondContact O-CA 3.47Å; F63-D288 WeakPolarHBondContact CZ-OD1 3.44Å; T286-D288 PolarHBondContact O-N 3.11Å; D288-G290 PolarHBondContact O-N 3.39Å; D288-G290 VanDerWaalsContact O-N 3.08Å; D288-V291 HydrophobicContact CB-CB 3.78Å; D288-V291 HydrophobicContact CB-CG2 4.1Å; D288-V291 PolarHBondContact O-N 3.24Å; D288-F292 HydrophobicContact CB-CD2 3.69Å; D288-F292 HydrophobicContact CB-CE2 3.7Å; D288-F292 WeakPolarHBondContact O-CB 3.44Å; D288-F292 WeakPolarHBondContact O-CD2 3.48Å; D288-F292 PolarHBondContact O-N 3.48Å; D288-F292 WeakPolarHBondContact OD2-CE2 3.39Å
289K95.4Very high96.4Very high20 Ų2015.1 Ų15.19%0.08710%0.095CC..THydrogen-bonded Turntrans-56.7-33.6-171.582.4165.3-161.6177.10113.6S23 E86 F87 T286 C293 T294S23-K289 WeakPolarHBondContact O-CE 3.4Å; E86-K289 VanDerWaalsContact OE2-CE 3.22Å; E86-K289 WeakPolarHBondContact OE2-CE 3.49Å; E86-K289 IonicContact OE2-NZ 3.58Å; E86-K289 PolarHBondContact OE2-NZ 3.3Å; F87-K289 HydrophobicContact CE1-CD 3.96Å; F87-K289 HydrophobicContact CE2-CD 4.23Å; F87-K289 HydrophobicContact CZ-CD 3.77Å; F87-K289 HydrophobicContact CZ-CG 4.3Å; T286-K289 HydrophobicContact CG2-CB 4.16Å; K289-C293 WeakPolarHBondContact O-CA 3.34Å; K289-C293 PolarHBondContact O-N 2.77Å; K289-T294 WeakPolarHBondContact CB-O 3.39Å; K289-T294 PolarHBondContact O-N 3.18Å
290G91.7Very high96.5Very high8 Ų813.1 Ų13.18%0.0827%0.074CC..THydrogen-bonded Turntrans-74.5-52.7-179.700000111.3G22 V24 D288 F292 C293G22-G290 VanDerWaalsContact O-CA 3.3Å; G22-G290 WeakPolarHBondContact O-CA 3.39Å; G22-G290 PolarHBondContact O-N 2.91Å; V24-G290 WeakPolarHBondContact O-CA 3.32Å; D288-G290 PolarHBondContact O-N 3.39Å; D288-G290 VanDerWaalsContact O-N 3.08Å; G290-F292 VanDerWaalsContact C-N 3.32Å; G290-F292 PolarHBondContact O-N 3.44Å; G290-C293 PolarHBondContact O-N 2.91Å
291V90.1Very high96.5Very high1 Ų115.6 Ų15.61%0.0069%0.086CC..THydrogen-bonded Turntrans-59.3-44178.1175.20000110.9G22 I48 V62 F63 I66 D288G22-V291 PolarHBondContact O-N 2.98Å; I48-V291 WeakPolarHBondContact CB-O 3.3Å; I48-V291 HydrophobicContact CD1-CG1 3.9Å; I48-V291 HydrophobicContact CG1-CG1 4.21Å; I48-V291 PolarHBondContact N-O 2.96Å; V62-V291 HydrophobicContact CG1-CG1 4.48Å; V62-V291 HydrophobicContact CG1-CG2 4.04Å; F63-V291 HydrophobicContact CZ-CG2 4.39Å; I66-V291 HydrophobicContact CD1-CG2 4.17Å; D288-V291 HydrophobicContact CB-CB 3.78Å; D288-V291 HydrophobicContact CB-CG2 4.1Å; D288-V291 PolarHBondContact O-N 3.24Å
292F90.5Very high96.5Very high6 Ų615.7 Ų15.73%0.0269%0.085CC..THydrogen-bonded Turntrans-89.63.7-178.4-62.3-52.5000114.3I48 T256 S257 K260 D287 D288 G290 T294I48-F292 HydrophobicContact CD1-CD1 4.16Å; I48-F292 HydrophobicContact CD1-CE1 4.06Å; T256-F292 HydrophobicContact CG2-CB 4Å; S257-F292 VanDerWaalsContact CB-CE2 3.41Å; S257-F292 WeakPolarHBondContact OG-CE2 3.38Å; K260-F292 HydrophobicContact CB-CD1 3.87Å; K260-F292 HydrophobicContact CB-CE1 4.08Å; K260-F292 HydrophobicContact CD-CB 4.18Å; K260-F292 HydrophobicContact CD-CD1 3.77Å; K260-F292 HydrophobicContact CD-CG 4.39Å; K260-F292 HydrophobicContact CG-CD1 4.43Å; K260-F292 PolarHBondContact NZ-O 3.04Å; D287-F292 HydrophobicContact CB-CE2 4.39Å; D288-F292 HydrophobicContact CB-CD2 3.69Å; D288-F292 HydrophobicContact CB-CE2 3.7Å; D288-F292 WeakPolarHBondContact O-CB 3.44Å; D288-F292 WeakPolarHBondContact O-CD2 3.48Å; D288-F292 PolarHBondContact O-N 3.48Å; D288-F292 WeakPolarHBondContact OD2-CE2 3.39Å; G290-F292 VanDerWaalsContact C-N 3.32Å; G290-F292 PolarHBondContact O-N 3.44Å; F292-T294 VanDerWaalsContact C-N 3.28Å; F292-T294 HydrophobicContact CB-CG2 4.43Å; F292-T294 PolarHBondContact O-N 3.14Å
293C90.9Very high96.4Very high40 Ų4015.2 Ų15.227%0.278%0.081SC..THydrogen-bonded Turntrans46.650.8179.4-64.30000112.6I48 K289 G290I48-C293 PolarHBondContact O-SG 3.2Å; I48-C293 VanDerWaalsContact O-SG 3.42Å; K289-C293 WeakPolarHBondContact O-CA 3.34Å; K289-C293 PolarHBondContact O-N 2.77Å; G290-C293 PolarHBondContact O-N 2.91Å
294T94.9Very high96.4Very high10 Ų1015.3 Ų15.36%0.0618%0.082CC..  trans-129.6173.8177.7-160.20000110.2T256 T286 K289 F292 E299T256-T294 HydrophobicContact CG2-CG2 4.47Å; T286-T294 HydrophobicContact CG2-CG2 4.46Å; K289-T294 WeakPolarHBondContact CB-O 3.39Å; K289-T294 PolarHBondContact O-N 3.18Å; F292-T294 VanDerWaalsContact C-N 3.28Å; F292-T294 HydrophobicContact CB-CG2 4.43Å; F292-T294 PolarHBondContact O-N 3.14Å; T294-E299 WeakPolarHBondContact CB-OE1 3.31Å; T294-E299 HydrophobicContact CG2-CG 4.31Å; T294-E299 WeakPolarHBondContact CG2-OE1 3.2Å; T294-E299 PolarHBondContact OG1-OE1 2.96Å
295D97.3Very high96.2Very high55 Ų5519.3 Ų19.329%0.29411%0.11SC..  trans-139.5168.7168.258.148.2000108.8S297 Q298 E299D295-S297 VanDerWaalsContact C-N 3.32Å; D295-S297 PolarHBondContact O-N 3Å; D295-S297 WeakPolarHBondContact OD1-CB 3.22Å; D295-S297 PolarHBondContact OD1-N 3.06Å; D295-Q298 WeakPolarHBondContact O-CB 3.34Å; D295-Q298 PolarHBondContact O-N 3.45Å; D295-Q298 VanDerWaalsContact OD1-CB 3.24Å; D295-Q298 WeakPolarHBondContact OD1-CB 3.29Å; D295-Q298 PolarHBondContact OD1-N 3.36Å; D295-E299 WeakPolarHBondContact O-CG 3.43Å; D295-E299 PolarHBondContact O-N 3.31Å
296L98.6Very high96.1Very high0 Ų021.3 Ų21.30%012%0.123CC..Hα-helixtrans-70.3-35.8-171.7-169.662.9000110.6K13 E15 D90 V92 I284 T286 Q298 E299 Y300K13-L296 HydrophobicContact CB-CD2 3.61Å; K13-L296 HydrophobicContact CB-CG 4.43Å; K13-L296 HydrophobicContact CD-CB 4.36Å; K13-L296 HydrophobicContact CD-CD2 4.1Å; K13-L296 HydrophobicContact CD-CG 3.99Å; K13-L296 HydrophobicContact CG-CD2 4.35Å; E15-L296 HydrophobicContact CB-CD2 4.05Å; D90-L296 WeakPolarHBondContact OD2-CA 3.23Å; D90-L296 WeakPolarHBondContact OD2-CB 3.25Å; D90-L296 PolarHBondContact OD2-N 2.92Å; V92-L296 HydrophobicContact CG2-CB 4.43Å; V92-L296 HydrophobicContact CG2-CD2 3.77Å; I284-L296 HydrophobicContact CG2-CD1 4.47Å; I284-L296 WeakPolarHBondContact O-CD1 3.45Å; T286-L296 HydrophobicContact CG2-CB 3.84Å; T286-L296 HydrophobicContact CG2-CD1 3.98Å; L296-Q298 VanDerWaalsContact C-N 3.29Å; L296-Q298 PolarHBondContact O-N 3.19Å; L296-E299 HydrophobicContact CD1-CB 4.44Å; L296-E299 PolarHBondContact O-N 2.95Å; L296-E299 VanDerWaalsContact O-N 3.13Å; L296-Y300 HydrophobicContact CD1-CD2 4.27Å; L296-Y300 HydrophobicContact CD1-CE2 4.01Å; L296-Y300 HydrophobicContact CD2-CE2 4.18Å; L296-Y300 HydrophobicContact CG-CD2 4Å; L296-Y300 HydrophobicContact CG-CE2 3.83Å; L296-Y300 VanDerWaalsContact O-CD2 3.32Å; L296-Y300 WeakPolarHBondContact O-CD2 3.39Å; L296-Y300 PolarHBondContact O-N 2.9Å
297S98.6Very high96Very high4 Ų423.1 Ų23.13%0.02813%0.131CC..Hα-helixtrans-55.2-44171.7-65.30000112.5Y8 K9 K13 D90 D295 Y300 Q301Y8-S297 PolarHBondContact O-OG 3.02Å; K9-S297 WeakPolarHBondContact CA-OG 3.32Å; K13-S297 VanDerWaalsContact CE-OG 3.27Å; K13-S297 WeakPolarHBondContact CE-OG 3.23Å; K13-S297 PolarHBondContact NZ-OG 2.7Å; D90-S297 VanDerWaalsContact CG-OG 3.27Å; D90-S297 VanDerWaalsContact OD1-CB 3.23Å; D90-S297 WeakPolarHBondContact OD1-CB 3.18Å; D90-S297 PolarHBondContact OD1-OG 3.2Å; D90-S297 PolarHBondContact OD2-N 2.95Å; D90-S297 PolarHBondContact OD2-OG 3.32Å; D295-S297 VanDerWaalsContact C-N 3.32Å; D295-S297 PolarHBondContact O-N 3Å; D295-S297 WeakPolarHBondContact OD1-CB 3.22Å; D295-S297 PolarHBondContact OD1-N 3.06Å; S297-Y300 PolarHBondContact O-N 2.86Å; S297-Q301 PolarHBondContact O-N 3.42Å
298Q97.6Very high95.9Very high56 Ų5625.9 Ų25.926%0.26216%0.161SC..Hα-helixtrans-64.1-40.2175.5-176.2179.3-36.900111.6D295 L296 Y300 Q301 L302D295-Q298 WeakPolarHBondContact O-CB 3.34Å; D295-Q298 PolarHBondContact O-N 3.45Å; D295-Q298 VanDerWaalsContact OD1-CB 3.24Å; D295-Q298 WeakPolarHBondContact OD1-CB 3.29Å; D295-Q298 PolarHBondContact OD1-N 3.36Å; L296-Q298 VanDerWaalsContact C-N 3.29Å; L296-Q298 PolarHBondContact O-N 3.19Å; Q298-Y300 PolarHBondContact O-N 3.43Å; Q298-Q301 PolarHBondContact O-N 3.37Å; Q298-L302 HydrophobicContact CG-CD1 4.16Å; Q298-L302 HydrophobicContact CG-CG 4.39Å; Q298-L302 WeakPolarHBondContact O-CB 3.31Å; Q298-L302 VanDerWaalsContact O-CG 3.28Å; Q298-L302 WeakPolarHBondContact O-CG 3.37Å; Q298-L302 PolarHBondContact O-N 3.15Å
299E98.6Very high95.8Very high0 Ų026.5 Ų26.50%016%0.164CC..Hα-helixtrans-62.5-41.4176-62.2-55.3104.800112L255 T256 I284 T286 T294 D295 L296 L302 A303L255-E299 PolarHBondContact N-OE2 2.99Å; T256-E299 WeakPolarHBondContact CB-OE1 3.47Å; T256-E299 PolarHBondContact N-OE2 2.66Å; T256-E299 PolarHBondContact OG1-OE1 3.28Å; T256-E299 PolarHBondContact OG1-OE2 3.11Å; I284-E299 HydrophobicContact CG2-CB 3.53Å; T286-E299 HydrophobicContact CG2-CG 4.19Å; T294-E299 WeakPolarHBondContact CB-OE1 3.31Å; T294-E299 HydrophobicContact CG2-CG 4.31Å; T294-E299 WeakPolarHBondContact CG2-OE1 3.2Å; T294-E299 PolarHBondContact OG1-OE1 2.96Å; D295-E299 WeakPolarHBondContact O-CG 3.43Å; D295-E299 PolarHBondContact O-N 3.31Å; L296-E299 HydrophobicContact CD1-CB 4.44Å; L296-E299 PolarHBondContact O-N 2.95Å; L296-E299 VanDerWaalsContact O-N 3.13Å; E299-L302 PolarHBondContact O-N 3.17Å; E299-A303 WeakPolarHBondContact O-CB 3.48Å; E299-A303 PolarHBondContact O-N 3.02Å
300Y98.6Very high95.7Very high3 Ų333.2 Ų33.21%0.01219%0.188CC..Hα-helixtrans-64.7-41.1173.7-85.2-91.8000112L11 K13 I284 L296 S297 Q298 A303 A304 V314 L317 S318L11-Y300 HydrophobicContact CD2-CD1 3.81Å; L11-Y300 HydrophobicContact CD2-CE1 4.13Å; L11-Y300 HydrophobicContact CD2-CG 4.08Å; K13-Y300 HydrophobicContact CB-CE2 4.29Å; K13-Y300 HydrophobicContact CD-CD2 3.64Å; K13-Y300 HydrophobicContact CD-CE2 3.83Å; K13-Y300 HydrophobicContact CD-CG 4.41Å; K13-Y300 HydrophobicContact CG-CD2 4.1Å; K13-Y300 HydrophobicContact CG-CE2 3.83Å; I284-Y300 HydrophobicContact CB-CD2 4.27Å; I284-Y300 HydrophobicContact CB-CE1 4.4Å; I284-Y300 HydrophobicContact CB-CE2 3.91Å; I284-Y300 HydrophobicContact CG1-CD1 4.44Å; I284-Y300 HydrophobicContact CG1-CE1 4.2Å; I284-Y300 HydrophobicContact CG2-CD2 4.21Å; I284-Y300 HydrophobicContact CG2-CE2 4.29Å; L296-Y300 HydrophobicContact CD1-CD2 4.27Å; L296-Y300 HydrophobicContact CD1-CE2 4.01Å; L296-Y300 HydrophobicContact CD2-CE2 4.18Å; L296-Y300 HydrophobicContact CG-CD2 4Å; L296-Y300 HydrophobicContact CG-CE2 3.83Å; L296-Y300 VanDerWaalsContact O-CD2 3.32Å; L296-Y300 WeakPolarHBondContact O-CD2 3.39Å; L296-Y300 PolarHBondContact O-N 2.9Å; S297-Y300 PolarHBondContact O-N 2.86Å; Q298-Y300 PolarHBondContact O-N 3.43Å; Y300-A303 PolarHBondContact O-N 3.05Å; Y300-A304 VanDerWaalsContact O-CB 3.3Å; Y300-A304 WeakPolarHBondContact O-CB 2.97Å; Y300-A304 PolarHBondContact O-N 3.16Å; Y300-V314 HydrophobicContact CD1-CG1 3.99Å; Y300-L317 HydrophobicContact CE1-CB 4.33Å; Y300-S318 WeakPolarHBondContact OH-CA 3.31Å
301Q97.8Very high95.8Very high67 Ų6734.7 Ų34.731%0.31320%0.197SC..Hα-helixtrans-62.1-42.5175-176178.821.300111.9Y8 S297 Q298 A304 S305Y8-Q301 HydrophobicContact CD1-CB 4.23Å; Y8-Q301 HydrophobicContact CD2-CB 3.6Å; Y8-Q301 HydrophobicContact CD2-CG 3.8Å; Y8-Q301 HydrophobicContact CE1-CB 4.31Å; Y8-Q301 HydrophobicContact CE2-CB 3.74Å; Y8-Q301 HydrophobicContact CE2-CG 3.58Å; Y8-Q301 HydrophobicContact CG-CB 3.89Å; S297-Q301 PolarHBondContact O-N 3.42Å; Q298-Q301 PolarHBondContact O-N 3.37Å; Q301-A304 PolarHBondContact O-N 3.18Å; Q301-S305 WeakPolarHBondContact O-CB 3.47Å; Q301-S305 PolarHBondContact O-N 2.76Å; Q301-S305 PolarHBondContact O-OG 3.34Å
302L97.6Very high95.9Very high30 Ų3037.5 Ų37.516%0.15721%0.212CC..Hα-helixtrans-63.1-46.7177.1-76170000110.9T256 Y267 Q298 E299 A304 S305 T306T256-L302 VanDerWaalsContact OG1-CD1 3.26Å; T256-L302 WeakPolarHBondContact OG1-CD1 3.13Å; Y267-L302 HydrophobicContact CD2-CD2 4.29Å; Y267-L302 HydrophobicContact CE1-CD1 4.05Å; Y267-L302 HydrophobicContact CE1-CD2 4.49Å; Y267-L302 HydrophobicContact CE2-CD2 3.95Å; Q298-L302 HydrophobicContact CG-CD1 4.16Å; Q298-L302 HydrophobicContact CG-CG 4.39Å; Q298-L302 WeakPolarHBondContact O-CB 3.31Å; Q298-L302 VanDerWaalsContact O-CG 3.28Å; Q298-L302 WeakPolarHBondContact O-CG 3.37Å; Q298-L302 PolarHBondContact O-N 3.15Å; E299-L302 PolarHBondContact O-N 3.17Å; L302-A304 PolarHBondContact O-N 3.34Å; L302-S305 PolarHBondContact O-OG 3.4Å; L302-T306 WeakPolarHBondContact O-CB 3.44Å; L302-T306 PolarHBondContact O-N 2.63Å; L302-T306 PolarHBondContact O-OG1 3.28Å
303A97.9Very high96.2Very high1 Ų137.9 Ų37.91%0.00822%0.216CC..Hα-helixtrans-60.5-46.6175.800000111.4L255 L272 I284 E299 Y300 F307L255-A303 HydrophobicContact CD1-CB 4.4Å; L255-A303 HydrophobicContact CD2-CB 4.17Å; L272-A303 HydrophobicContact CD2-CB 4.06Å; I284-A303 HydrophobicContact CD1-CB 4.22Å; E299-A303 WeakPolarHBondContact O-CB 3.48Å; E299-A303 PolarHBondContact O-N 3.02Å; Y300-A303 PolarHBondContact O-N 3.05Å; A303-F307 WeakPolarHBondContact O-CB 3.31Å; A303-F307 VanDerWaalsContact O-CD2 3.23Å; A303-F307 WeakPolarHBondContact O-CD2 3.44Å; A303-F307 PolarHBondContact O-N 3.01Å
304A96.9Very high96.4Very high3 Ų336 Ų363%0.02520%0.204CC..Hα-helixtrans-63.7-50.7-178.300000112.8Y8 Y300 Q301 L302 G308 L309 V314Y8-A304 HydrophobicContact CE1-CB 3.87Å; Y8-A304 WeakPolarHBondContact OH-CB 3.48Å; Y300-A304 VanDerWaalsContact O-CB 3.3Å; Y300-A304 WeakPolarHBondContact O-CB 2.97Å; Y300-A304 PolarHBondContact O-N 3.16Å; Q301-A304 PolarHBondContact O-N 3.18Å; L302-A304 PolarHBondContact O-N 3.34Å; A304-G308 CarbonylContact O-C 3.27Å; A304-G308 WeakPolarHBondContact O-CA 3.43Å; A304-G308 PolarHBondContact O-N 3.42Å; A304-L309 HydrophobicContact CB-CB 4.25Å; A304-L309 PolarHBondContact O-N 3.35Å; A304-V314 HydrophobicContact CB-CG2 3.65Å
305S96.2Very high96.5Very high85 Ų8535.6 Ų35.659%0.59420%0.201SC*.Hα-helixtrans-66.6-37179.8570000113Q301 L302Q301-S305 WeakPolarHBondContact O-CB 3.47Å; Q301-S305 PolarHBondContact O-N 2.76Å; Q301-S305 PolarHBondContact O-OG 3.34Å; L302-S305 PolarHBondContact O-OG 3.4Å
306T97Very high96.4Very high42 Ų4235 Ų3526%0.25820%0.199SC..Hα-helixtrans-71.3-41.1-179.5-60.90000112.2Y267 L302Y267-T306 VanDerWaalsContact C-CG2 3.41Å; Y267-T306 WeakPolarHBondContact CB-OG1 3.47Å; Y267-T306 WeakPolarHBondContact O-CG2 3.06Å; L302-T306 WeakPolarHBondContact O-CB 3.44Å; L302-T306 PolarHBondContact O-N 2.63Å; L302-T306 PolarHBondContact O-OG1 3.28Å
307F96.1Very high96.4Very high38 Ų3835.8 Ų35.817%0.16720%0.203CC..Hα-helixtrans-1055.8-173.6-57.5-63.9000113.8L255 Y267 H270 L272 R273 A303 L309L255-F307 HydrophobicContact CD2-CE2 4.15Å; Y267-F307 VanDerWaalsContact O-CZ 3.3Å; Y267-F307 WeakPolarHBondContact O-CZ 3.34Å; H270-F307 HydrophobicContact CB-CZ 3.97Å; L272-F307 HydrophobicContact CB-CE2 4.17Å; L272-F307 HydrophobicContact CB-CZ 4.41Å; L272-F307 HydrophobicContact CD2-CD2 3.94Å; L272-F307 HydrophobicContact CD2-CE2 3.73Å; L272-F307 HydrophobicContact CG-CD2 4.43Å; L272-F307 HydrophobicContact CG-CE2 4.16Å; R273-F307 HydrophobicContact CB-CD1 4.06Å; R273-F307 HydrophobicContact CB-CE1 3.71Å; R273-F307 HydrophobicContact CB-CZ 4.48Å; R273-F307 HydrophobicContact CG-CD1 4.37Å; R273-F307 HydrophobicContact CG-CE1 4.39Å; A303-F307 WeakPolarHBondContact O-CB 3.31Å; A303-F307 VanDerWaalsContact O-CD2 3.23Å; A303-F307 WeakPolarHBondContact O-CD2 3.44Å; A303-F307 PolarHBondContact O-N 3.01Å; F307-L309 VanDerWaalsContact C-N 3.33Å; F307-L309 HydrophobicContact CB-CD2 4.08Å; F307-L309 HydrophobicContact CB-CG 4.1Å; F307-L309 PolarHBondContact O-N 2.85Å
308G94.8Very high96.4Very high65 Ų6535.6 Ų35.667%0.6720%0.202SC*.THydrogen-bonded Turntrans6436.2178.900000112.9A304A304-G308 CarbonylContact O-C 3.27Å; A304-G308 WeakPolarHBondContact O-CA 3.43Å; A304-G308 PolarHBondContact O-N 3.42Å
309L94.8Very high96.4Very high23 Ų2335.4 Ų35.412%0.1220%0.201CC..  trans-77.2129.4-178.6-49.5179.7000110.1Y276 A304 F307 A313 V314 L317Y276-L309 HydrophobicContact CD1-CD2 4.36Å; Y276-L309 HydrophobicContact CE1-CD2 3.66Å; A304-L309 HydrophobicContact CB-CB 4.25Å; A304-L309 PolarHBondContact O-N 3.35Å; F307-L309 VanDerWaalsContact C-N 3.33Å; F307-L309 HydrophobicContact CB-CD2 4.08Å; F307-L309 HydrophobicContact CB-CG 4.1Å; F307-L309 PolarHBondContact O-N 2.85Å; L309-A313 HydrophobicContact CB-CB 4.25Å; L309-V314 HydrophobicContact CB-CG2 3.96Å; L309-L317 HydrophobicContact CD1-CD1 3.55Å
310R93.4Very high96.3Very high160 Ų16042.7 Ų42.760%0.60423%0.229SC*.  trans-74.5159.3174.1-66176.755.6-159-7.9111.2D312 A313 V314R310-D312 WeakPolarHBondContact CB-OD1 3.33Å; R310-D312 IonicContact CZ-OD1 3.98Å; R310-D312 IonicContact NE-OD1 3.49Å; R310-D312 PolarHBondContact NE-OD1 3.37Å; R310-D312 IonicContact NH2-OD1 2.79Å; R310-D312 PolarHBondContact O-N 2.99Å; R310-D312 VanDerWaalsContact O-N 3.12Å; R310-A313 WeakPolarHBondContact O-CA 3.45Å; R310-A313 WeakPolarHBondContact O-CB 3.21Å; R310-A313 PolarHBondContact O-N 3.01Å; R310-V314 PolarHBondContact O-N 3.39Å
311P93.5Very high96.3Very high39 Ų3942.6 Ų42.625%0.25323%0.228SC..Hα-helixtrans-52.2-35.7178.5-3036.4000114.7F7 V314 W315 L347 A350F7-P311 HydrophobicContact CE1-CB 4.4Å; F7-P311 HydrophobicContact CE2-CB 4.2Å; F7-P311 HydrophobicContact CZ-CB 3.86Å; P311-V314 PolarHBondContact O-N 3.19Å; P311-W315 WeakPolarHBondContact O-CB 3.11Å; P311-W315 PolarHBondContact O-N 3.04Å; P311-L347 HydrophobicContact CB-CD2 4.05Å; P311-A350 HydrophobicContact CB-CB 4.15Å; P311-A350 HydrophobicContact CG-CB 4.26Å
312D93.4Very high96.4Very high60 Ų6039.4 Ų39.432%0.32121%0.213SC..Hα-helixtrans-68.4-35.3176.257.5-70.2000113.2R310 T316R310-D312 WeakPolarHBondContact CB-OD1 3.33Å; R310-D312 IonicContact CZ-OD1 3.98Å; R310-D312 IonicContact NE-OD1 3.49Å; R310-D312 PolarHBondContact NE-OD1 3.37Å; R310-D312 IonicContact NH2-OD1 2.79Å; R310-D312 PolarHBondContact O-N 2.99Å; R310-D312 VanDerWaalsContact O-N 3.12Å; D312-T316 WeakPolarHBondContact O-CB 3.47Å; D312-T316 PolarHBondContact O-N 2.76Å; D312-T316 PolarHBondContact O-OG1 2.77Å
313A94.8Very high96.4Very high15 Ų1541.8 Ų41.812%0.12423%0.226CC..Hα-helixtrans-71.1-40.6174.200000111.3L309 R310 T316 L317L309-A313 HydrophobicContact CB-CB 4.25Å; R310-A313 WeakPolarHBondContact O-CA 3.45Å; R310-A313 WeakPolarHBondContact O-CB 3.21Å; R310-A313 PolarHBondContact O-N 3.01Å; A313-T316 PolarHBondContact O-N 3.29Å; A313-L317 PolarHBondContact O-N 3.16Å
314V96.5Very high96.4Very high1 Ų142.3 Ų42.31%0.00623%0.23CC..Hα-helixtrans-61.9-46.2174.1172.80000111F7 Y8 L11 Y300 A304 L309 R310 P311 T316 L317 S318F7-V314 HydrophobicContact CE1-CB 4.27Å; F7-V314 HydrophobicContact CE1-CG1 3.86Å; F7-V314 HydrophobicContact CZ-CG1 4.32Å; Y8-V314 HydrophobicContact CD1-CG1 4.37Å; Y8-V314 HydrophobicContact CE1-CG1 4.13Å; Y8-V314 HydrophobicContact CE1-CG2 4.42Å; L11-V314 HydrophobicContact CD2-CG1 3.65Å; Y300-V314 HydrophobicContact CD1-CG1 3.99Å; A304-V314 HydrophobicContact CB-CG2 3.65Å; L309-V314 HydrophobicContact CB-CG2 3.96Å; R310-V314 PolarHBondContact O-N 3.39Å; P311-V314 PolarHBondContact O-N 3.19Å; V314-T316 VanDerWaalsContact C-N 3.31Å; V314-T316 PolarHBondContact O-N 3.37Å; V314-L317 PolarHBondContact O-N 3.26Å; V314-S318 PolarHBondContact O-N 3.01Å; V314-S318 VanDerWaalsContact O-N 3.07Å
315W96.8Very high96.5Very high0 Ų042.4 Ų42.40%023%0.23CC..Hα-helixtrans-54.5-49.2172.6178.9-79.9000111.5L11 P12 P311 L317 S318 E319 W339 L342 K343 L346 L347L11-W315 HydrophobicContact CD1-CE3 3.99Å; L11-W315 HydrophobicContact CD1-CZ3 4.48Å; P12-W315 HydrophobicContact CG-CH2 4.02Å; P12-W315 HydrophobicContact CG-CZ3 4.14Å; P311-W315 WeakPolarHBondContact O-CB 3.11Å; P311-W315 PolarHBondContact O-N 3.04Å; W315-L317 VanDerWaalsContact C-N 3.32Å; W315-L317 PolarHBondContact O-N 3.13Å; W315-S318 PolarHBondContact O-N 2.82Å; W315-E319 PolarHBondContact NE1-OE1 2.87Å; W315-E319 WeakPolarHBondContact O-CB 3.49Å; W315-E319 PolarHBondContact O-N 3.39Å; W315-W339 AromaticContact CE2-CD1 3.77Å; W315-W339 HydrophobicContact CH2-CG 4.43Å; W315-W339 VanDerWaalsContact CH2-O 3.28Å; W315-W339 WeakPolarHBondContact CH2-O 3.45Å; W315-W339 HydrophobicContact CZ2-CB 3.9Å; W315-W339 AromaticContact CZ2-CD1 3.46Å; W315-W339 VanDerWaalsContact CZ2-CD1 3.46Å; W315-W339 AromaticContact CZ2-CG 3.95Å; W315-W339 HydrophobicContact CZ2-CG 3.95Å; W315-W339 WeakPolarHBondContact CZ2-O 3.2Å; W315-L342 HydrophobicContact CH2-CB 4.08Å; W315-K343 HydrophobicContact CD2-CG 4.07Å; W315-K343 HydrophobicContact CE3-CG 4.5Å; W315-K343 HydrophobicContact CH2-CB 3.65Å; W315-K343 HydrophobicContact CH2-CG 4.15Å; W315-K343 VanDerWaalsContact CH2-N 3.32Å; W315-K343 HydrophobicContact CZ2-CB 3.39Å; W315-K343 HydrophobicContact CZ2-CD 4.03Å; W315-K343 HydrophobicContact CZ2-CG 3.66Å; W315-K343 HydrophobicContact CZ3-CB 4.35Å; W315-L346 HydrophobicContact CE3-CD2 4.06Å; W315-L346 HydrophobicContact CZ3-CB 4.28Å; W315-L346 HydrophobicContact CZ3-CD2 3.82Å; W315-L347 HydrophobicContact CB-CD1 4.36Å; W315-L347 HydrophobicContact CB-CD2 4.29Å; W315-L347 HydrophobicContact CD2-CD1 4.28Å; W315-L347 HydrophobicContact CE3-CG 4.3Å; W315-L347 HydrophobicContact CG-CD1 4.16Å
316T96.1Very high96.6Very high42 Ų4239.4 Ų39.426%0.25821%0.206SC..Hα-helixtrans-63-38-178.4-59.10000112D312 A313 V314 R320D312-T316 WeakPolarHBondContact O-CB 3.47Å; D312-T316 PolarHBondContact O-N 2.76Å; D312-T316 PolarHBondContact O-OG1 2.77Å; A313-T316 PolarHBondContact O-N 3.29Å; V314-T316 VanDerWaalsContact C-N 3.31Å; V314-T316 PolarHBondContact O-N 3.37Å; T316-R320 HydrophobicContact CG2-CG 4.25Å; T316-R320 VanDerWaalsContact O-CB 3.3Å; T316-R320 WeakPolarHBondContact O-CB 3.5Å; T316-R320 VanDerWaalsContact O-CG 3.23Å; T316-R320 WeakPolarHBondContact O-CG 3.45Å; T316-R320 PolarHBondContact O-N 2.86Å
317L97.1Very high96.6Very high17 Ų1737.7 Ų37.79%0.08920%0.196CC..Hα-helixtrans-61.8-47.8174.2-81172.1000111.6Y276 Y300 L309 A313 V314 W315 A321Y276-L317 HydrophobicContact CD2-CD1 4.45Å; Y276-L317 HydrophobicContact CD2-CD2 3.93Å; Y276-L317 HydrophobicContact CE2-CD1 4.01Å; Y276-L317 HydrophobicContact CE2-CD2 3.78Å; Y276-L317 HydrophobicContact CE2-CG 3.98Å; Y300-L317 HydrophobicContact CE1-CB 4.33Å; L309-L317 HydrophobicContact CD1-CD1 3.55Å; A313-L317 PolarHBondContact O-N 3.16Å; V314-L317 PolarHBondContact O-N 3.26Å; W315-L317 VanDerWaalsContact C-N 3.32Å; W315-L317 PolarHBondContact O-N 3.13Å; L317-A321 PolarHBondContact O-N 2.85Å
318S98.2Very high96.6Very high0 Ų038.3 Ų38.30%021%0.213CC..Hα-helixtrans-63-44.2178141.80000112P12 Y300 V314 W315 A321 W339P12-S318 PolarHBondContact O-OG 3.5Å; Y300-S318 WeakPolarHBondContact OH-CA 3.31Å; V314-S318 PolarHBondContact O-N 3.01Å; V314-S318 VanDerWaalsContact O-N 3.07Å; W315-S318 PolarHBondContact O-N 2.82Å; S318-A321 WeakPolarHBondContact O-CB 3.37Å; S318-A321 PolarHBondContact O-N 3.45Å; S318-W339 WeakPolarHBondContact OG-CZ2 3.2Å; S318-W339 PolarHBondContact OG-NE1 3.07Å
319E97.9Very high96.7Very high52 Ų5240.8 Ų40.824%0.24321%0.211CC..Hα-helixtrans-64.9-43.1-179.8-171.8177.2-99.100112.2W315 A321 V322 W339W315-E319 PolarHBondContact NE1-OE1 2.87Å; W315-E319 WeakPolarHBondContact O-CB 3.49Å; W315-E319 PolarHBondContact O-N 3.39Å; E319-A321 PolarHBondContact O-N 3.3Å; E319-V322 WeakPolarHBondContact O-CB 3.38Å; E319-V322 WeakPolarHBondContact O-CG2 3.45Å; E319-V322 PolarHBondContact O-N 2.81Å; E319-W339 VanDerWaalsContact CA-NE1 3.35Å; E319-W339 VanDerWaalsContact CB-CD1 3.47Å; E319-W339 HydrophobicContact CB-CG 4.34Å; E319-W339 HydrophobicContact CG-CB 4.35Å; E319-W339 HydrophobicContact CG-CG 4.2Å
320R97.4Very high96.8Very high154 Ų15446.1 Ų46.158%0.58124%0.235SC*.Hα-helixtrans-68.5-21.8-179-75.4178.6177.2178.40.9113.3T316 V322 D323T316-R320 HydrophobicContact CG2-CG 4.25Å; T316-R320 VanDerWaalsContact O-CB 3.3Å; T316-R320 WeakPolarHBondContact O-CB 3.5Å; T316-R320 VanDerWaalsContact O-CG 3.23Å; T316-R320 WeakPolarHBondContact O-CG 3.45Å; T316-R320 PolarHBondContact O-N 2.86Å; R320-V322 PolarHBondContact O-N 2.95Å; R320-D323 WeakPolarHBondContact O-CB 3.48Å; R320-D323 PolarHBondContact O-N 2.8Å
321A98.5Very high97Very high0 Ų039.4 Ų39.40%021%0.212CC..G310 helixtrans-60.3-24.6174.200000112.5V14 V283 L317 S318 E319 D323 C324V14-A321 HydrophobicContact CB-CB 3.74Å; V14-A321 HydrophobicContact CG1-CB 4.08Å; V14-A321 HydrophobicContact CG2-CB 4.27Å; V283-A321 HydrophobicContact CB-CB 4.38Å; V283-A321 HydrophobicContact CG1-CB 3.69Å; V283-A321 HydrophobicContact CG2-CB 3.93Å; L317-A321 PolarHBondContact O-N 2.85Å; S318-A321 WeakPolarHBondContact O-CB 3.37Å; S318-A321 PolarHBondContact O-N 3.45Å; E319-A321 PolarHBondContact O-N 3.3Å; A321-D323 PolarHBondContact O-N 2.84Å; A321-C324 WeakPolarHBondContact O-CB 3.12Å; A321-C324 PolarHBondContact O-N 3.27Å; A321-C324 VanDerWaalsContact O-N 3.08Å
322V98.7Very high97.2Very high0 Ų039.2 Ų39.20%021%0.207CC..G310 helixtrans-60-31.3173.6-179.90000112V14 E319 R320 C324 I325 K332 L335 R336V14-V322 HydrophobicContact CG2-CG2 3.93Å; E319-V322 WeakPolarHBondContact O-CB 3.38Å; E319-V322 WeakPolarHBondContact O-CG2 3.45Å; E319-V322 PolarHBondContact O-N 2.81Å; R320-V322 PolarHBondContact O-N 2.95Å; V322-C324 PolarHBondContact O-N 3.18Å; V322-I325 WeakPolarHBondContact O-CG1 3.36Å; V322-K332 HydrophobicContact CG1-CB 4.11Å; V322-K332 HydrophobicContact CG1-CG 4.3Å; V322-L335 HydrophobicContact CG1-CB 3.85Å; V322-L335 HydrophobicContact CG1-CD1 4.24Å; V322-L335 HydrophobicContact CG2-CB 4.01Å; V322-R336 HydrophobicContact CG1-CG 4.1Å
323D98.3Very high97.4Very high81 Ų8142.4 Ų42.443%0.43322%0.22SC..G310 helixtrans-69.8-25.5179.2-64.2-24.3000112R320 A321 K332 R336R320-D323 WeakPolarHBondContact O-CB 3.48Å; R320-D323 PolarHBondContact O-N 2.8Å; A321-D323 PolarHBondContact O-N 2.84Å; D323-K332 PolarHBondContact O-NZ 3.48Å; D323-R336 IonicContact OD1-CZ 3.31Å; D323-R336 IonicContact OD1-NE 2.68Å; D323-R336 IonicContact OD1-NH2 2.8Å; D323-R336 PolarHBondContact OD1-NH2 3.41Å
324C98.6Very high97.6Very high11 Ų1146.2 Ų46.27%0.07424%0.236CC..G310 helixtrans-89.8-6.6-174.4-55.20000113.9L16 R223 P250 V283 A321 V322L16-C324 HydrophobicContact CD1-CB 3.73Å; R223-C324 WeakPolarHBondContact CD-O 3.35Å; R223-C324 PolarHBondContact NH1-O 3.4Å; P250-C324 HydrophobicContact CB-CB 4.1Å; P250-C324 VanDerWaalsContact CB-SG 3.58Å; P250-C324 HydrophobicContact CG-CB 4.04Å; P250-C324 VanDerWaalsContact CG-SG 3.53Å; V283-C324 HydrophobicContact CG2-CB 3.81Å; A321-C324 WeakPolarHBondContact O-CB 3.12Å; A321-C324 PolarHBondContact O-N 3.27Å; A321-C324 VanDerWaalsContact O-N 3.08Å; V322-C324 PolarHBondContact O-N 3.18Å
325I98.8Very high97.6Very high5 Ų546.4 Ų46.43%0.02624%0.236CC..  trans-69.2151.8179.681-178.7000111.4V14 L16 Y94 V322 A327 V331 K332 L335V14-I325 HydrophobicContact CG1-CG2 3.87Å; L16-I325 HydrophobicContact CD2-CB 4.41Å; L16-I325 HydrophobicContact CD2-CG2 3.97Å; Y94-I325 HydrophobicContact CD1-CB 4.15Å; Y94-I325 HydrophobicContact CD1-CG2 3.67Å; Y94-I325 HydrophobicContact CD2-CD1 4.15Å; Y94-I325 HydrophobicContact CE1-CB 3.53Å; Y94-I325 HydrophobicContact CE1-CD1 4.4Å; Y94-I325 HydrophobicContact CE1-CG1 4.47Å; Y94-I325 HydrophobicContact CE1-CG2 3.57Å; Y94-I325 HydrophobicContact CE2-CB 4.44Å; Y94-I325 HydrophobicContact CE2-CD1 3.88Å; Y94-I325 HydrophobicContact CG-CG2 4.3Å; V322-I325 WeakPolarHBondContact O-CG1 3.36Å; I325-A327 HydrophobicContact CD1-CB 3.84Å; I325-A327 HydrophobicContact CG1-CB 4.13Å; I325-V331 HydrophobicContact CD1-CG1 4Å; I325-K332 HydrophobicContact CD1-CG 3.65Å; I325-K332 HydrophobicContact CG1-CD 4.3Å; I325-K332 HydrophobicContact CG1-CG 3.76Å; I325-K332 VanDerWaalsContact O-CE 3.3Å; I325-K332 WeakPolarHBondContact O-CE 3.46Å; I325-K332 PolarHBondContact O-NZ 3.24Å; I325-L335 HydrophobicContact CD1-CD1 3.73Å
326F98.8Very high97.7Very high22 Ų2251.5 Ų51.510%0.09626%0.256CS..SBendtrans-86.9-12.7176.6-68.1-18.3000113.9E96 L138 V169 K198 D222 R223E96-F326 WeakPolarHBondContact OE1-CB 3.44Å; E96-F326 PolarHBondContact OE1-N 3.31Å; E96-F326 VanDerWaalsContact OE2-CD2 3.23Å; E96-F326 WeakPolarHBondContact OE2-CD2 3.15Å; L138-F326 HydrophobicContact CD1-CE2 4.33Å; L138-F326 HydrophobicContact CD2-CD2 3.78Å; L138-F326 HydrophobicContact CD2-CE2 3.88Å; V169-F326 HydrophobicContact CB-CB 4.04Å; V169-F326 HydrophobicContact CG2-CB 3.78Å; V169-F326 HydrophobicContact CG2-CD2 4.25Å; K198-F326 HydrophobicContact CB-CB 4.03Å; K198-F326 HydrophobicContact CB-CD1 3.63Å; K198-F326 HydrophobicContact CB-CD2 3.34Å; K198-F326 HydrophobicContact CB-CE1 3.82Å; K198-F326 HydrophobicContact CB-CE2 3.52Å; K198-F326 HydrophobicContact CB-CG 3.39Å; K198-F326 HydrophobicContact CB-CZ 3.76Å; K198-F326 HydrophobicContact CD-CD1 4.31Å; K198-F326 HydrophobicContact CG-CB 3.76Å; K198-F326 HydrophobicContact CG-CD1 3.73Å; K198-F326 HydrophobicContact CG-CD2 4.06Å; K198-F326 HydrophobicContact CG-CE1 4.32Å; K198-F326 HydrophobicContact CG-CG 3.58Å; D222-F326 HydrophobicContact CB-CD1 4.37Å; D222-F326 HydrophobicContact CB-CE1 3.4Å; D222-F326 HydrophobicContact CB-CZ 3.78Å; R223-F326 HydrophobicContact CB-CZ 4.35Å; R223-F326 HydrophobicContact CG-CE1 3.91Å; R223-F326 HydrophobicContact CG-CZ 4.05Å; R223-F326 VanDerWaalsContact NH1-CG 3.34Å; R223-F326 VanDerWaalsContact NH1-CZ 3.26Å
327A97.2Very high97.7Very high7 Ų755 Ų556%0.05827%0.269CS..SBendtrans-63.4155.5168.900000112.4Y94 R136 I325 V331 K332Y94-A327 HydrophobicContact CE2-CB 3.74Å; Y94-A327 WeakPolarHBondContact OH-CB 3.37Å; Y94-A327 PolarHBondContact OH-N 2.99Å; R136-A327 HydrophobicContact CG-CB 4.4Å; I325-A327 HydrophobicContact CD1-CB 3.84Å; I325-A327 HydrophobicContact CG1-CB 4.13Å; A327-V331 HydrophobicContact CB-CB 3.82Å; A327-V331 HydrophobicContact CB-CG1 3.85Å; A327-V331 HydrophobicContact CB-CG2 4.06Å; A327-K332 WeakPolarHBondContact O-CE 3.38Å
328G95.1Very high97.6Very high50 Ų5057.6 Ų57.652%0.51528%0.279SS..  trans-68.6172.1-17800000114.4E330 V331 K332G328-E330 PolarHBondContact O-N 2.82Å; G328-V331 PolarHBondContact O-N 3.44Å; G328-V331 VanDerWaalsContact O-N 3.12Å; G328-K332 PolarHBondContact O-N 3.35Å
329D96.1Very high97.6Very high117 Ų11757.6 Ų57.663%0.62628%0.279SS*.Hα-helixtrans-60.2-30.2-172.6-71.5-29.8000114.2K332 Q333D329-K332 PolarHBondContact O-N 3.43Å; D329-Q333 VanDerWaalsContact O-CG 3.27Å; D329-Q333 WeakPolarHBondContact O-CG 3.17Å; D329-Q333 PolarHBondContact O-N 2.66Å
330E96.9Very high97.4Very high136 Ų13659.6 Ų59.664%0.63630%0.295SS*.Hα-helixtrans-61.2-46.9176.3-174.6179.7177.900111.5G328 K332 Q333 Q334G328-E330 PolarHBondContact O-N 2.82Å; E330-K332 VanDerWaalsContact C-N 3.34Å; E330-K332 PolarHBondContact O-N 3.39Å; E330-Q333 PolarHBondContact O-N 3.42Å; E330-Q334 WeakPolarHBondContact O-CG 3.42Å; E330-Q334 PolarHBondContact O-N 3.48Å
331V97.8Very high97.2Very high19 Ų1958.1 Ų58.112%0.11530%0.295CS..Hα-helixtrans-64.8-41.2177.51780000110.3Y94 D134 I325 A327 G328 Q333 Q334 L335Y94-V331 HydrophobicContact CD2-CG1 4.11Å; Y94-V331 HydrophobicContact CE2-CG1 4.08Å; D134-V331 WeakPolarHBondContact OD2-CG1 3.32Å; I325-V331 HydrophobicContact CD1-CG1 4Å; A327-V331 HydrophobicContact CB-CB 3.82Å; A327-V331 HydrophobicContact CB-CG1 3.85Å; A327-V331 HydrophobicContact CB-CG2 4.06Å; G328-V331 PolarHBondContact O-N 3.44Å; G328-V331 VanDerWaalsContact O-N 3.12Å; V331-Q333 VanDerWaalsContact C-N 3.33Å; V331-Q333 PolarHBondContact O-N 2.77Å; V331-Q334 PolarHBondContact O-N 2.8Å; V331-L335 HydrophobicContact CG1-CD1 3.96Å; V331-L335 HydrophobicContact CG1-CG 4.43Å; V331-L335 WeakPolarHBondContact O-CG 3.4Å; V331-L335 PolarHBondContact O-N 2.7Å
332K98.3Very high96.9Very high35 Ų3561.6 Ų61.615%0.15231%0.313CS..Hα-helixtrans-58.9-43.3174.7-67.1-175.9178.1-174.80111.8V322 D323 I325 A327 G328 D329 E330 L335 R336V322-K332 HydrophobicContact CG1-CB 4.11Å; V322-K332 HydrophobicContact CG1-CG 4.3Å; D323-K332 PolarHBondContact O-NZ 3.48Å; I325-K332 HydrophobicContact CD1-CG 3.65Å; I325-K332 HydrophobicContact CG1-CD 4.3Å; I325-K332 HydrophobicContact CG1-CG 3.76Å; I325-K332 VanDerWaalsContact O-CE 3.3Å; I325-K332 WeakPolarHBondContact O-CE 3.46Å; I325-K332 PolarHBondContact O-NZ 3.24Å; A327-K332 WeakPolarHBondContact O-CE 3.38Å; G328-K332 PolarHBondContact O-N 3.35Å; D329-K332 PolarHBondContact O-N 3.43Å; E330-K332 VanDerWaalsContact C-N 3.34Å; E330-K332 PolarHBondContact O-N 3.39Å; K332-L335 PolarHBondContact O-N 3.34Å; K332-R336 WeakPolarHBondContact O-CB 3.36Å; K332-R336 VanDerWaalsContact O-CG 3.3Å; K332-R336 WeakPolarHBondContact O-CG 3.5Å; K332-R336 PolarHBondContact O-N 3.29Å
333Q98Very high96.4Very high127 Ų12765.4 Ų65.459%0.59333%0.33SS*.Hα-helixtrans-64.8-45.4178-73.3173.218.900111.8D329 E330 V331 L335 R336 Q337D329-Q333 VanDerWaalsContact O-CG 3.27Å; D329-Q333 WeakPolarHBondContact O-CG 3.17Å; D329-Q333 PolarHBondContact O-N 2.66Å; E330-Q333 PolarHBondContact O-N 3.42Å; V331-Q333 VanDerWaalsContact C-N 3.33Å; V331-Q333 PolarHBondContact O-N 2.77Å; Q333-L335 PolarHBondContact O-N 3.12Å; Q333-R336 PolarHBondContact O-N 2.81Å; Q333-Q337 PolarHBondContact O-N 2.92Å
334Q97.9Very high95.5Very high95 Ų9564.7 Ų64.744%0.44433%0.33SS..Hα-helixtrans-59.4-44.5176.4-69.8172.76.600111.8E330 V331 Q337 K338E330-Q334 WeakPolarHBondContact O-CG 3.42Å; E330-Q334 PolarHBondContact O-N 3.48Å; V331-Q334 PolarHBondContact O-N 2.8Å; Q334-Q337 PolarHBondContact O-N 3.48Å; Q334-K338 PolarHBondContact O-N 3.47Å
335L98.1Very high94.4Very high5 Ų567.2 Ų67.23%0.02636%0.358CS..Hα-helixtrans-65.5-43.8176.9-69.9168.7000112K93 Y94 V322 I325 V331 K332 Q333 Q337 K338 W339K93-L335 HydrophobicContact CB-CD2 4Å; Y94-L335 HydrophobicContact CD2-CD1 3.88Å; Y94-L335 HydrophobicContact CG-CD1 3.97Å; V322-L335 HydrophobicContact CG1-CB 3.85Å; V322-L335 HydrophobicContact CG1-CD1 4.24Å; V322-L335 HydrophobicContact CG2-CB 4.01Å; I325-L335 HydrophobicContact CD1-CD1 3.73Å; V331-L335 HydrophobicContact CG1-CD1 3.96Å; V331-L335 HydrophobicContact CG1-CG 4.43Å; V331-L335 WeakPolarHBondContact O-CG 3.4Å; V331-L335 PolarHBondContact O-N 2.7Å; K332-L335 PolarHBondContact O-N 3.34Å; Q333-L335 PolarHBondContact O-N 3.12Å; L335-Q337 VanDerWaalsContact C-N 3.26Å; L335-Q337 PolarHBondContact O-N 2.98Å; L335-K338 WeakPolarHBondContact O-CB 3.45Å; L335-K338 PolarHBondContact O-N 3.49Å; L335-K338 VanDerWaalsContact O-N 3.11Å; L335-W339 HydrophobicContact CD2-CZ3 4.16Å; L335-W339 VanDerWaalsContact O-CE3 3.23Å; L335-W339 PolarHBondContact O-N 3.45Å
336R97.3Very high93.5Very high107 Ų10768.2 Ų68.240%0.40436%0.363SS..Hα-helixtrans-60.4-37.2175.7-74.4178-171.5143.2-3.7112.3V322 D323 K332 Q333 W339 T340V322-R336 HydrophobicContact CG1-CG 4.1Å; D323-R336 IonicContact OD1-CZ 3.31Å; D323-R336 IonicContact OD1-NE 2.68Å; D323-R336 IonicContact OD1-NH2 2.8Å; D323-R336 PolarHBondContact OD1-NH2 3.41Å; K332-R336 WeakPolarHBondContact O-CB 3.36Å; K332-R336 VanDerWaalsContact O-CG 3.3Å; K332-R336 WeakPolarHBondContact O-CG 3.5Å; K332-R336 PolarHBondContact O-N 3.29Å; Q333-R336 PolarHBondContact O-N 2.81Å; R336-W339 PolarHBondContact O-N 3.24Å; R336-T340 PolarHBondContact O-N 3.37Å; R336-T340 PolarHBondContact O-OG1 3.01Å
337Q97Very high92.4Very high115 Ų11568 Ų6854%0.53736%0.363SS..Hα-helixtrans-63-48.1173.2-177.2178.5-9.300110.9Q333 Q334 L335 W339 T340 E341Q333-Q337 PolarHBondContact O-N 2.92Å; Q334-Q337 PolarHBondContact O-N 3.48Å; L335-Q337 VanDerWaalsContact C-N 3.26Å; L335-Q337 PolarHBondContact O-N 2.98Å; Q337-W339 VanDerWaalsContact C-N 3.3Å; Q337-W339 PolarHBondContact O-N 2.99Å; Q337-T340 WeakPolarHBondContact O-CB 3.47Å; Q337-T340 PolarHBondContact O-N 3.22Å; Q337-E341 HydrophobicContact CG-CG 4.47Å; Q337-E341 VanDerWaalsContact CG-OE1 3.32Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.31Å; Q337-E341 PolarHBondContact NE2-OE1 3.41Å; Q337-E341 WeakPolarHBondContact O-CG 3.38Å; Q337-E341 PolarHBondContact O-N 3.18Å
338K95.9Very high91.1Very high71 Ų7173.8 Ų73.831%0.30939%0.389SS..Hα-helixtrans-54-44.9175.1-73.3-170.4176.7-168.80112D132 Q334 L335 E341 L342D132-K338 IonicContact OD1-NZ 2.66Å; D132-K338 PolarHBondContact OD1-NZ 2.82Å; Q334-K338 PolarHBondContact O-N 3.47Å; L335-K338 WeakPolarHBondContact O-CB 3.45Å; L335-K338 PolarHBondContact O-N 3.49Å; L335-K338 VanDerWaalsContact O-N 3.11Å; K338-E341 PolarHBondContact O-N 2.74Å; K338-L342 WeakPolarHBondContact O-CB 2.98Å; K338-L342 VanDerWaalsContact O-CG 3.25Å; K338-L342 WeakPolarHBondContact O-CG 3.34Å; K338-L342 PolarHBondContact O-N 3.35Å
339W96.4Very high89.5Confident0 Ų073 Ų730%038%0.38CS..Hα-helixtrans-61.4-47.6175.8-98.3-112.6000111.5P12 V14 K93 W315 S318 E319 L335 R336 Q337 E341 L342 K343P12-W339 HydrophobicContact CB-CD2 4.05Å; P12-W339 HydrophobicContact CB-CE3 4.05Å; P12-W339 HydrophobicContact CB-CH2 3.8Å; P12-W339 HydrophobicContact CB-CZ2 3.75Å; P12-W339 HydrophobicContact CB-CZ3 3.94Å; P12-W339 HydrophobicContact CG-CD2 3.9Å; P12-W339 HydrophobicContact CG-CE3 4.36Å; P12-W339 HydrophobicContact CG-CG 4.26Å; P12-W339 HydrophobicContact CG-CZ2 4.1Å; P12-W339 WeakPolarHBondContact O-CZ2 3.22Å; V14-W339 HydrophobicContact CG2-CH2 3.71Å; V14-W339 HydrophobicContact CG2-CZ2 4.05Å; K93-W339 HydrophobicContact CB-CH2 3.98Å; K93-W339 HydrophobicContact CB-CZ3 3.76Å; K93-W339 HydrophobicContact CG-CH2 4.16Å; K93-W339 HydrophobicContact CG-CZ3 3.93Å; W315-W339 AromaticContact CE2-CD1 3.77Å; W315-W339 HydrophobicContact CH2-CG 4.43Å; W315-W339 VanDerWaalsContact CH2-O 3.28Å; W315-W339 WeakPolarHBondContact CH2-O 3.45Å; W315-W339 HydrophobicContact CZ2-CB 3.9Å; W315-W339 AromaticContact CZ2-CD1 3.46Å; W315-W339 VanDerWaalsContact CZ2-CD1 3.46Å; W315-W339 AromaticContact CZ2-CG 3.95Å; W315-W339 HydrophobicContact CZ2-CG 3.95Å; W315-W339 WeakPolarHBondContact CZ2-O 3.2Å; S318-W339 WeakPolarHBondContact OG-CZ2 3.2Å; S318-W339 PolarHBondContact OG-NE1 3.07Å; E319-W339 VanDerWaalsContact CA-NE1 3.35Å; E319-W339 VanDerWaalsContact CB-CD1 3.47Å; E319-W339 HydrophobicContact CB-CG 4.34Å; E319-W339 HydrophobicContact CG-CB 4.35Å; E319-W339 HydrophobicContact CG-CG 4.2Å; L335-W339 HydrophobicContact CD2-CZ3 4.16Å; L335-W339 VanDerWaalsContact O-CE3 3.23Å; L335-W339 PolarHBondContact O-N 3.45Å; R336-W339 PolarHBondContact O-N 3.24Å; Q337-W339 VanDerWaalsContact C-N 3.3Å; Q337-W339 PolarHBondContact O-N 2.99Å; W339-E341 VanDerWaalsContact C-N 3.25Å; W339-E341 PolarHBondContact O-N 3.26Å; W339-L342 PolarHBondContact O-N 3.01Å; W339-L342 VanDerWaalsContact O-N 3.17Å; W339-K343 WeakPolarHBondContact O-CB 3.4Å; W339-K343 PolarHBondContact O-N 3.25Å
340T94.5Very high87.8Confident94 Ų9467.9 Ų67.958%0.57735%0.354SS*.Hα-helixtrans-56.4-41179.3-57.70000112R336 Q337R336-T340 PolarHBondContact O-N 3.37Å; R336-T340 PolarHBondContact O-OG1 3.01Å; Q337-T340 WeakPolarHBondContact O-CB 3.47Å; Q337-T340 PolarHBondContact O-N 3.22Å
341E93.6Very high85.9Confident124 Ų12467 Ų6758%0.57935%0.35SS*.Hα-helixtrans-70.3-38.5178.8-70.1171-175.800112.7Q337 K338 W339 P344Q337-E341 HydrophobicContact CG-CG 4.47Å; Q337-E341 VanDerWaalsContact CG-OE1 3.32Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.31Å; Q337-E341 PolarHBondContact NE2-OE1 3.41Å; Q337-E341 WeakPolarHBondContact O-CG 3.38Å; Q337-E341 PolarHBondContact O-N 3.18Å; K338-E341 PolarHBondContact O-N 2.74Å; W339-E341 VanDerWaalsContact C-N 3.25Å; W339-E341 PolarHBondContact O-N 3.26Å; E341-P344 WeakPolarHBondContact O-CD 3.29Å
342L91.4Very high83.6Confident73 Ų7373.4 Ų73.438%0.38238%0.383SS..Hα-helixtrans-79.6-22.5-178.2-67.6171.2000113.6P12 W315 K338 W339 G345 L346P12-L342 HydrophobicContact CB-CD1 3.77Å; P12-L342 HydrophobicContact CG-CB 4.42Å; P12-L342 HydrophobicContact CG-CD1 3.83Å; W315-L342 HydrophobicContact CH2-CB 4.08Å; K338-L342 WeakPolarHBondContact O-CB 2.98Å; K338-L342 VanDerWaalsContact O-CG 3.25Å; K338-L342 WeakPolarHBondContact O-CG 3.34Å; K338-L342 PolarHBondContact O-N 3.35Å; W339-L342 PolarHBondContact O-N 3.01Å; W339-L342 VanDerWaalsContact O-N 3.17Å; L342-G345 PolarHBondContact O-N 2.89Å; L342-L346 PolarHBondContact O-N 3.49Å
343K88.3Confident81.2Confident79 Ų7977 Ų7734%0.34340%0.401SS..Hα-helixtrans-56.4-48.3-173-165.6170.6-169.9162.40115W315 W339 G345 L347W315-K343 HydrophobicContact CD2-CG 4.07Å; W315-K343 HydrophobicContact CE3-CG 4.5Å; W315-K343 HydrophobicContact CH2-CB 3.65Å; W315-K343 HydrophobicContact CH2-CG 4.15Å; W315-K343 VanDerWaalsContact CH2-N 3.32Å; W315-K343 HydrophobicContact CZ2-CB 3.39Å; W315-K343 HydrophobicContact CZ2-CD 4.03Å; W315-K343 HydrophobicContact CZ2-CG 3.66Å; W315-K343 HydrophobicContact CZ3-CB 4.35Å; W339-K343 WeakPolarHBondContact O-CB 3.4Å; W339-K343 PolarHBondContact O-N 3.25Å; K343-G345 PolarHBondContact O-N 3.37Å; K343-L347 HydrophobicContact CD-CD1 4.44Å; K343-L347 HydrophobicContact CG-CD1 3.75Å; K343-L347 HydrophobicContact CG-CG 4.45Å; K343-L347 PolarHBondContact O-N 2.92Å; K343-L347 VanDerWaalsContact O-N 3.15Å
344P79.1Confident78.8Confident67 Ų6777.4 Ų77.444%0.43543%0.425SS..Hα-helixtrans-64.8-40.1-174.9-21.735.1000112.6E341 Q348E341-P344 WeakPolarHBondContact O-CD 3.29Å; P344-Q348 VanDerWaalsContact O-CB 3.28Å; P344-Q348 WeakPolarHBondContact O-CB 3.48Å; P344-Q348 WeakPolarHBondContact O-CG 3.23Å; P344-Q348 PolarHBondContact O-N 2.92Å
345G76.8Confident77.9Confident64 Ų6476.5 Ų76.566%0.6642%0.424SS*.Hα-helixtrans-66.8-41.5-178.300000112.8L342 K343L342-G345 PolarHBondContact O-N 2.89Å; K343-G345 PolarHBondContact O-N 3.37Å
346L79.1Confident76.8Confident25 Ų2580.3 Ų80.313%0.13145%0.445CS..Hα-helixtrans-79.9-45.2-174.5-166.470.3000113.1F7 D10 L11 W315 L342 G349 A350F7-L346 HydrophobicContact CD2-CD1 4.06Å; F7-L346 HydrophobicContact CD2-CD2 4.13Å; F7-L346 HydrophobicContact CD2-CG 3.83Å; F7-L346 HydrophobicContact CE2-CD1 4.48Å; F7-L346 HydrophobicContact CE2-CD2 3.78Å; F7-L346 HydrophobicContact CE2-CG 3.76Å; D10-L346 HydrophobicContact CB-CD1 3.5Å; L11-L346 HydrophobicContact CB-CD2 4.21Å; L11-L346 HydrophobicContact CD1-CD2 3.9Å; W315-L346 HydrophobicContact CE3-CD2 4.06Å; W315-L346 HydrophobicContact CZ3-CB 4.28Å; W315-L346 HydrophobicContact CZ3-CD2 3.82Å; L342-L346 PolarHBondContact O-N 3.49Å; L346-G349 PolarHBondContact O-N 3.36Å; L346-A350 PolarHBondContact O-N 3.37Å; L346-A350 VanDerWaalsContact O-N 3.13Å
347L76.6Confident75.7Confident19 Ų1978.8 Ų78.810%0.09945%0.447CS..Hα-helixtrans-76.7-28.9-175.8-69.9-179.6000113.4F7 P311 W315 K343 Q351F7-L347 HydrophobicContact CE2-CD2 4.29Å; P311-L347 HydrophobicContact CB-CD2 4.05Å; W315-L347 HydrophobicContact CB-CD1 4.36Å; W315-L347 HydrophobicContact CB-CD2 4.29Å; W315-L347 HydrophobicContact CD2-CD1 4.28Å; W315-L347 HydrophobicContact CE3-CG 4.3Å; W315-L347 HydrophobicContact CG-CD1 4.16Å; K343-L347 HydrophobicContact CD-CD1 4.44Å; K343-L347 HydrophobicContact CG-CD1 3.75Å; K343-L347 HydrophobicContact CG-CG 4.45Å; K343-L347 PolarHBondContact O-N 2.92Å; K343-L347 VanDerWaalsContact O-N 3.15Å; L347-Q351 WeakPolarHBondContact O-CB 3.38Å; L347-Q351 VanDerWaalsContact O-CG 3.29Å; L347-Q351 WeakPolarHBondContact O-CG 3.37Å; L347-Q351 PolarHBondContact O-N 2.91Å
348Q68.9Low74.4Confident128 Ų12876.6 Ų76.660%0.59844%0.442SS*.Hα-helixtrans-67.4-38.4172.5-71.2177.413.500111.4P344 L352P344-Q348 VanDerWaalsContact O-CB 3.28Å; P344-Q348 WeakPolarHBondContact O-CB 3.48Å; P344-Q348 WeakPolarHBondContact O-CG 3.23Å; P344-Q348 PolarHBondContact O-N 2.92Å; Q348-L352 WeakPolarHBondContact O-CD1 3.21Å; Q348-L352 VanDerWaalsContact O-CG 3.32Å; Q348-L352 WeakPolarHBondContact O-CG 3.3Å; Q348-L352 PolarHBondContact O-N 3.14Å
349G61.8Low73.1Confident32 Ų3277 Ų7733%0.3345%0.45SS..Hα-helixtrans-63.2-4717400000112.6L346 Q351 L352 Q353L346-G349 PolarHBondContact O-N 3.36Å; G349-Q351 PolarHBondContact O-N 3.37Å; G349-L352 PolarHBondContact O-N 3.05Å; G349-Q353 WeakPolarHBondContact O-CG 2.89Å
350A60.8Low71.5Confident11 Ų1182.1 Ų82.19%0.09148%0.48CS..Hα-helixtrans-68.7-33.5-178.500000114F7 P311 L346 Q353 A354F7-A350 HydrophobicContact CD2-CB 3.78Å; F7-A350 HydrophobicContact CE2-CB 3.99Å; P311-A350 HydrophobicContact CB-CB 4.15Å; P311-A350 HydrophobicContact CG-CB 4.26Å; L346-A350 PolarHBondContact O-N 3.37Å; L346-A350 VanDerWaalsContact O-N 3.13Å; A350-Q353 PolarHBondContact O-N 2.86Å; A350-A354 PolarHBondContact O-N 2.7Å
351Q57.5Low69.9Low117 Ų11781.3 Ų81.355%0.54747%0.473SS..Hα-helixtrans-75.3-22.7178.7-75.6178.91.200113.9L347 G349 Q353L347-Q351 WeakPolarHBondContact O-CB 3.38Å; L347-Q351 VanDerWaalsContact O-CG 3.29Å; L347-Q351 WeakPolarHBondContact O-CG 3.37Å; L347-Q351 PolarHBondContact O-N 2.91Å; G349-Q351 PolarHBondContact O-N 3.37Å; Q351-Q353 PolarHBondContact O-N 3.08Å
352L49.5Very low68Low153 Ų15378 Ų7880%0.80147%0.465SS*.THydrogen-bonded Turntrans-78-9.4175.2-72166.3000112.6Q348 G349Q348-L352 WeakPolarHBondContact O-CD1 3.21Å; Q348-L352 VanDerWaalsContact O-CG 3.32Å; Q348-L352 WeakPolarHBondContact O-CG 3.3Å; Q348-L352 PolarHBondContact O-N 3.14Å; G349-L352 PolarHBondContact O-N 3.05Å
353Q47.8Very low66.1Low112 Ų11278.4 Ų78.452%0.52347%0.472SS..THydrogen-bonded Turntrans-114.1-10.1-173.1-67.6176-3000114.1D3 G349 A350 Q351D3-Q353 PolarHBondContact OD2-NE2 3.06Å; G349-Q353 WeakPolarHBondContact O-CG 2.89Å; A350-Q353 PolarHBondContact O-N 2.86Å; Q351-Q353 PolarHBondContact O-N 3.08Å
354A47Very low64.1Low134 Ų13478.4 Ų78.4100%1.10748%0.484SS*.  trans-96.3017400000111.1A350A350-A354 PolarHBondContact O-N 2.7Å

Retrieved 354 of 354 residues in 3073.9 ms (Link to these results)

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